D00ACL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.300   0.000   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.888  -0.714   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.062  -0.714   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.650   0.000   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.062   0.714   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.888   0.714   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.825   0.000   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.412  -0.714   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.412  -0.714   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.825  -1.429   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.650  -1.429   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.062  -0.714   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.650   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.825   0.000   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.888  -0.714   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.300   0.000   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       3.300  -1.429   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       2.888   0.714   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.412   0.714   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.412   0.714   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.825   1.429   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.412   2.143   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.412   2.143   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.825   1.429   0.000  1.00  0.00           C  
HETATM   25  H   UNL     1       0.412  -2.143   0.000  1.00  0.00           H  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   19                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11   25                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16                                                      
CONECT   19    7   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   10                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D00AIO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.430  -1.210   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.643  -2.007   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.049  -2.456   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.690  -1.937   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.394  -1.167   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.013  -0.626   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.810  -0.840   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.024  -1.637   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.440  -2.220   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.504  -2.066   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.024  -1.425   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.728  -0.655   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.913  -0.525   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.800   0.170   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.003   0.384   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.211   1.181   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.373   1.764   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.170   1.551   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.383   0.754   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       0.024   1.873   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.559   2.456   0.000  1.00  0.00           C  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    1   13                                            
CONECT    6    1    7   14                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    4   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    5                                                 
CONECT   14    6   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21                                                 
CONECT   21   20                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D00ALX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.367   2.368   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.367   1.543   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.652   1.130   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.938   1.543   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.938   2.368   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.652   2.780   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.223   1.130   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.794   0.305   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.794   1.130   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.509   1.543   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.080  -0.107   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.635   0.305   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.635   1.130   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.080   1.543   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.349  -0.107   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.064   0.305   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.778  -0.107   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.778  -0.932   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.493  -1.345   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.207  -0.932   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.207  -0.107   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.493   0.305   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.652   0.305   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.151   2.623   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -5.636   1.955   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.151   1.288   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1      -5.406   3.407   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1      -2.223   0.305   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1       2.064   1.130   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       3.493  -2.170   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.207  -2.582   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       4.922  -2.170   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       4.922  -1.345   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       5.636  -0.932   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       4.207  -3.407   0.000  1.00  0.00           C  
CONECT    1    2    6   24                                            
CONECT    2    1    3   26                                            
CONECT    3    2    4   23                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4   10   28                                            
CONECT    8    9   11                                                 
CONECT    9    8   10   14                                            
CONECT   10    9    7                                                 
CONECT   11    8   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16                                                 
CONECT   16   15   17   29                                            
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   30                                            
CONECT   20   19   21   33                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23    3                                                      
CONECT   24    1   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25    2                                                 
CONECT   27   24                                                      
CONECT   28    7                                                      
CONECT   29   16                                                      
CONECT   30   19   31                                                 
CONECT   31   30   32   35                                            
CONECT   32   31   33                                                 
CONECT   33   32   20   34                                            
CONECT   34   33                                                      
CONECT   35   31                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D00AQW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.715   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.715   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.000  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.715   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.715   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.000   1.444   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.429   1.444   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.143   1.031   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1       0.000  -1.031   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       0.715  -1.444   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.429  -0.206   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.858  -0.206   0.000  1.00  0.00           N  
HETATM   14  O   UNL     1      -2.143   1.031   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -3.572   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.858  -1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.143   0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.858  -0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.572   0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.572   1.031   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.858   1.444   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7   17   21                                            
CONECT    9    3   10                                                 
CONECT   10    9                                                      
CONECT   11    2   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   15   16                                            
CONECT   14   12                                                      
CONECT   15   13                                                      
CONECT   16   13                                                      
CONECT   17    8   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20    8                                                 
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D00BEJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.000   2.269   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.000   1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.714   1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.429   1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.429   2.269   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.714   2.681   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.143   1.031   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.858   1.444   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.858   2.269   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.143   2.681   0.000  1.00  0.00           C  
HETATM   11  S   UNL     1      -0.714   2.681   0.000  1.00  0.00           S  
HETATM   12  C   UNL     1      -1.429   2.269   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.143   2.681   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.858   2.269   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1      -2.143   3.506   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       0.714   3.506   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1       0.714   0.206   0.000  1.00  0.00           N  
HETATM   18  S   UNL     1       1.429  -0.206   0.000  1.00  0.00           S  
HETATM   19  C   UNL     1       1.429  -1.031   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       2.143   0.206   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1       2.226  -0.420   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       0.714  -1.444   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.714  -2.269   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.429  -2.681   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.143  -2.269   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.143  -1.444   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.429  -3.506   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.000  -1.031   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.858  -2.681   0.000  1.00  0.00           C  
CONECT    1    2    6   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   17                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   16                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    1   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16    6                                                      
CONECT   17    3   18                                                 
CONECT   18   17   19   20   21                                       
CONECT   19   18   22   26                                            
CONECT   20   18                                                      
CONECT   21   18                                                      
CONECT   22   19   23   28                                            
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26   29                                            
CONECT   26   25   19                                                 
CONECT   27   24                                                      
CONECT   28   22                                                      
CONECT   29   25                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D00BFF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.643  -1.032   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.643  -1.857   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.929  -2.269   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.214  -1.857   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.214  -1.032   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.929  -0.620   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -2.500  -0.620   0.000  1.00  0.00          Cl  
HETATM    8 CL   UNL     1      -3.929  -3.095   0.000  1.00  0.00          Cl  
HETATM    9  C   UNL     1      -2.500  -2.269   0.000  1.00  0.00           C  
HETATM   10  S   UNL     1      -1.785  -1.857   0.000  1.00  0.00           S  
HETATM   11  O   UNL     1      -2.198  -1.143   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.373  -2.571   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.071  -1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.356  -1.857   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.358  -1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.358  -0.620   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.356  -0.207   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.071  -0.620   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.073  -1.857   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.787  -1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.787  -0.620   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1       1.073  -0.207   0.000  1.00  0.00           S  
HETATM   23  O   UNL     1       2.502  -1.857   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       2.502  -0.207   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.502   0.618   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.216   1.030   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.216   1.855   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.502   2.268   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.787   1.855   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.787   1.030   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       2.502   3.093   0.000  1.00  0.00           O  
HETATM   32  N   UNL     1       3.929   2.269   0.000  1.00  0.00           N1+
HETATM   33  O   UNL     1       3.929   3.095   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1       4.643   1.857   0.000  1.00  0.00           O1-
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    3                                                      
CONECT    9    4   10                                                 
CONECT   10    9   11   12   13                                       
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13   10   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17   22                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   15   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22   24                                            
CONECT   22   21   16                                                 
CONECT   23   20                                                      
CONECT   24   21   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   32                                            
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   28                                                      
CONECT   32   27   33   34                                            
CONECT   33   32                                                      
CONECT   34   32                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D00BQR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  O   UNL     1      -0.528  -0.281   0.000  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.243  -0.693   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.071  -1.500   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.251  -1.586   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.085  -0.833   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.040  -0.907   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.754  -0.494   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1      -1.786  -1.913   0.000  1.00  0.00           O  
HETATM    9  F   UNL     1       0.546  -1.800   0.000  1.00  0.00           F  
HETATM   10  H   UNL     1      -0.251  -2.411   0.000  1.00  0.00           H  
HETATM   11  N   UNL     1       0.799  -0.420   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.553  -0.756   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.105  -0.142   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.692   0.572   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.885   0.400   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.947   1.357   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.395   1.970   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.588   1.798   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.333   1.014   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1       2.754   1.528   0.000  1.00  0.00           N  
HETATM   21  H   UNL     1      -1.071  -2.325   0.000  1.00  0.00           H  
HETATM   22 CL   UNL     1       0.036   2.411   0.000  1.00  0.00          Cl  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4    8   21                                       
CONECT    4    3    5    9   10                                       
CONECT    5    4    1   11                                            
CONECT    6    2    7                                                 
CONECT    7    6                                                      
CONECT    8    3                                                      
CONECT    9    4                                                      
CONECT   10    4                                                      
CONECT   11    5   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   11   19                                            
CONECT   16   14   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   15                                                 
CONECT   20   16                                                      
CONECT   21    3                                                      
CONECT   22   18                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D00BRD
  -OEChem-10101305022D

 15 15  0     0  0  0  0  0  0999 V2000
    2.8660   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 15  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  8  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
M  END

$$$$
D00BXK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.560   0.080   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.474  -0.741   0.000  1.00  0.00           N  
HETATM    3  N   UNL     1      -0.667  -0.912   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.255  -0.198   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.806   0.416   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.087  -1.292   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.872  -1.038   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.485  -1.590   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.313  -2.397   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.529  -2.651   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.915  -2.099   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -1.131  -2.354   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1       0.566  -0.111   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.118  -0.724   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.275   0.492   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.275   1.317   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.989   1.730   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.704   1.317   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.704   0.492   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.989   0.080   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1      -4.418   1.730   0.000  1.00  0.00          Cl  
HETATM   22  O   UNL     1       0.862   0.659   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.635   1.223   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.048   1.937   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.873   1.937   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1      -0.635   2.651   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       1.943  -0.724   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.356  -1.439   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.181  -1.439   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.593  -0.724   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.181  -0.010   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.356  -0.010   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1       4.418  -0.724   0.000  1.00  0.00           F  
CONECT    1    2    5   15                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    1   23                                            
CONECT    6    2    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    6   12                                            
CONECT   12   11                                                      
CONECT   13    4   14   22                                            
CONECT   14   13   27                                                 
CONECT   15    1   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18                                                      
CONECT   22   13                                                      
CONECT   23    5   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   14   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D00BYK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.447  -1.821   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.447  -2.646   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.733  -3.058   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.018  -2.646   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.018  -1.821   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.733  -1.408   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.696  -3.058   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.411  -2.646   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.165  -2.981   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       2.717  -2.368   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1       2.304  -1.654   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.497  -1.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.640  -0.900   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.733  -0.583   0.000  1.00  0.00           N  
HETATM   15  S   UNL     1      -2.232  -1.566   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1      -2.717  -2.233   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.232  -2.901   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.018  -0.171   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.018   0.654   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.565   1.238   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.018   1.821   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.601   1.238   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.018   2.646   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.733   3.058   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       0.696   3.058   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.411   2.646   0.000  1.00  0.00           C  
CONECT    1    2    6   15                                            
CONECT    2    1    3   17                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   14                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11    8                                                 
CONECT   13   11                                                      
CONECT   14    6   18                                                 
CONECT   15    1   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16    2                                                 
CONECT   18   14   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   19                                                 
CONECT   23   21   24   25                                            
CONECT   24   23                                                      
CONECT   25   23   26                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D00CAO
  -OEChem-09301911182D

 51 53  0     0  0  0  0  0  0999 V2000
    9.9282   -5.8100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -6.8100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9282   -5.8100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    6.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    6.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -5.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    1.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    1.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    2.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    3.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    0.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -0.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    4.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    4.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    6.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 33  1  0  0  0  0
  2 33  1  0  0  0  0
  3 33  1  0  0  0  0
  4 17  1  0  0  0  0
  4 44  1  0  0  0  0
  5 16  2  0  0  0  0
  6 25  1  0  0  0  0
  6 27  1  0  0  0  0
  7 20  2  0  0  0  0
  8 28  1  0  0  0  0
  8 51  1  0  0  0  0
  9 28  2  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 20  1  0  0  0  0
 11 26  1  0  0  0  0
 11 45  1  0  0  0  0
 12 27  2  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 17  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 19  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 40  1  0  0  0  0
 22 24  2  0  0  0  0
 22 41  1  0  0  0  0
 23 25  2  0  0  0  0
 23 42  1  0  0  0  0
 24 25  1  0  0  0  0
 24 43  1  0  0  0  0
 26 28  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 27 29  1  0  0  0  0
 29 31  2  0  0  0  0
 29 48  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 30 33  1  0  0  0  0
 31 49  1  0  0  0  0
 32 50  1  0  0  0  0
M  END

$$$$
D00CKV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.934   0.853   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.934   0.028   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.219  -0.385   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.505   0.028   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.505   0.853   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.219   1.265   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.720  -0.228   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.235   0.440   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.720   1.107   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.465   1.892   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.342   2.064   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.017   2.505   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.590   0.440   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.465  -1.012   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.342  -1.184   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.017  -1.625   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.002  -0.275   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.827  -0.275   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.240   0.440   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.827   1.154   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.002   1.154   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.597  -1.968   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.404  -2.140   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.956  -1.527   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.701  -0.742   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.894  -0.571   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.762  -1.698   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1       2.591  -2.505   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1       1.955  -1.527   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1       2.934  -0.891   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   14                                            
CONECT    8    7    9   13                                            
CONECT    9    8    5   10                                            
CONECT   10    9   11   12                                            
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13    8   17   21                                            
CONECT   14    7   15   16                                            
CONECT   15   14   22   26                                            
CONECT   16   14                                                      
CONECT   17   13   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   13                                                 
CONECT   22   15   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   15                                                 
CONECT   27   24   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D00CLK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.715   1.956   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.715   1.131   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.000   0.719   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.715   1.131   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.715   1.956   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.000   2.369   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429   0.719   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.429   0.719   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.183   1.054   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.735   0.441   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.322  -0.274   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.515  -0.102   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       1.510  -0.103   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.322  -0.274   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.735   0.441   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.183   1.054   0.000  1.00  0.00           N  
HETATM   17 AU   UNL     1       0.036  -0.278   0.000  1.00  0.00          Au  
HETATM   18  C   UNL     1       0.036  -1.103   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.629  -1.587   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.375  -2.369   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.447  -2.369   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       0.701  -1.587   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.411  -1.333   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.607   0.530   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.436  -0.274   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.654  -0.528   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.483  -1.333   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4   17                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    9   12                                            
CONECT    8    4   13   16                                            
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7   17                                            
CONECT   13    8   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15    8                                                 
CONECT   17   18    3   12   13                                       
CONECT   18   17   19   22                                            
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   27   21   18                                            
CONECT   23   19                                                      
CONECT   24   25                                                      
CONECT   25   26   24                                                 
CONECT   26   27   25                                                 
CONECT   27   26   22                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D00CRQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858  -1.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858  -2.681   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -3.094   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429  -2.681   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429  -1.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143  -1.444   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.572  -1.444   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.715  -1.444   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       0.000  -1.856   0.000  1.00  0.00           O  
HETATM   10 BR   UNL     1      -2.143  -0.619   0.000  1.00  0.00          Br  
HETATM   11  C   UNL     1      -3.572  -0.619   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.287  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.001  -0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.001  -1.444   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.287  -1.856   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.715  -1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.429  -1.856   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.143  -1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.143  -0.619   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.429  -0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.715  -0.619   0.000  1.00  0.00           C  
HETATM   22 CL   UNL     1       1.429  -2.681   0.000  1.00  0.00          Cl  
HETATM   23  C   ACE A   0       2.858  -0.206   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       3.572  -0.619   0.000  1.00  0.00           N  
HETATM   25  CA  UNL     1       4.287  -0.206   0.000  1.00  0.00           C  
HETATM   26  CB  UNL     1       4.287   0.619   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       5.001   1.031   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1       1.429   0.619   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       0.715   1.031   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.715   1.856   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.000   2.269   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.000   3.094   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.715   1.856   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       5.001  -1.031   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1       5.001  -0.206   0.000  1.00  0.00           O  
HETATM   36  OXT UNL     1       4.286  -1.444   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1   10                                            
CONECT    7    1   11   15                                            
CONECT    8    5    9                                                 
CONECT    9    8   16                                                 
CONECT   10    6                                                      
CONECT   11    7   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    7                                                 
CONECT   16    9   17   21                                            
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21   28                                            
CONECT   21   20   16                                                 
CONECT   22   17                                                      
CONECT   23   19   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   34                                            
CONECT   26   25   27                                                 
CONECT   27   26                                                      
CONECT   28   20   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   33                                            
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   25   35   36                                            
CONECT   35   34                                                      
CONECT   36   34                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D00DDX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -0.619   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.072   0.206   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.786   0.619   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.357  -1.031   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.357  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.072  -1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.786  -0.619   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.786   0.206   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.072   0.619   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.357   0.206   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.501  -1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.501  -1.856   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.215  -2.269   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.930  -1.856   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.930  -1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.215  -0.619   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       3.215   0.206   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       3.930   0.619   0.000  1.00  0.00           C  
HETATM   22  F   UNL     1       4.644  -2.269   0.000  1.00  0.00           F  
HETATM   23  C   UNL     1      -3.215  -1.031   0.000  1.00  0.00           C  
HETATM   24  S   UNL     1      -3.930  -0.619   0.000  1.00  0.00           S  
HETATM   25  O   UNL     1      -3.517   0.096   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1      -4.342  -1.333   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.644  -0.206   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.786   1.444   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1      -2.611   1.444   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -1.786   2.269   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -0.961   1.444   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   23                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   28                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   14   20                                            
CONECT   20   19   21                                                 
CONECT   21   20                                                      
CONECT   22   17                                                      
CONECT   23    2   24                                                 
CONECT   24   23   25   26   27                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
CONECT   28    6   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D00DFK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.713   0.584   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.228  -0.084   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.556   0.171   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.556   0.996   0.000  1.00  0.00           C  
HETATM    5  S   UNL     1      -0.228   1.251   0.000  1.00  0.00           S  
HETATM    6  C   UNL     1       1.201  -0.343   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.005  -0.159   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.363   0.584   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.005   1.327   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.201   1.510   0.000  1.00  0.00           C  
HETATM   11  S   UNL     1      -1.538   0.584   0.000  1.00  0.00           S  
HETATM   12  N   UNL     1      -1.538  -0.241   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1      -2.363   0.584   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1      -1.538   1.409   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.205  -0.726   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.950  -1.510   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.126  -1.510   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.871  -0.726   0.000  1.00  0.00           C  
CONECT    1    2    5   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5   10                                            
CONECT    5    4    1                                                 
CONECT    6    3    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    1   12   13   14                                       
CONECT   12   11   15   18                                            
CONECT   13   11                                                      
CONECT   14   11                                                      
CONECT   15   12   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   12                                                 
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D00DIZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.895   2.171   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.895   1.345   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.679   1.091   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.164   1.758   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.679   2.425   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.180   2.583   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.534   2.171   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.534   1.345   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.180   0.933   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -1.249   0.933   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.002   1.268   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.554   0.655   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.142  -0.059   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.335   0.113   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.722  -0.440   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.134  -1.154   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.722  -1.869   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.103  -1.869   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.516  -1.154   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.103  -0.440   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.934   0.306   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       1.382  -0.307   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1       2.741   0.134   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       2.996  -0.650   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.825  -1.457   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.609  -1.202   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       1.341  -1.154   0.000  1.00  0.00           F  
HETATM   28  O   UNL     1      -1.134  -2.583   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.959  -2.583   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.372  -1.869   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -1.959  -1.154   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.197  -1.869   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1      -3.609  -1.154   0.000  1.00  0.00           O  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   21                                            
CONECT    4    3    5                                                 
CONECT    5    4    1                                                 
CONECT    6    1    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10   15                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   28                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   27                                            
CONECT   20   19   15                                                 
CONECT   21    3   22   23                                            
CONECT   22   21                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   26                                                 
CONECT   26   25   24                                                 
CONECT   27   19                                                      
CONECT   28   17   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30                                                      
CONECT   32   30   33                                                 
CONECT   33   32                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D00DXC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.102   0.110   0.000  1.00  0.00           N  
HETATM    2  N   UNL     1      -2.661  -0.588   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.861  -0.384   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.808   0.440   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.575   0.744   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.779   1.544   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.925   0.163   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.111   0.881   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.381   0.497   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.317   0.938   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.283   1.763   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.447   2.146   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.145   1.705   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.980   2.204   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       1.047   0.555   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.081  -0.269   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.383  -0.710   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.811  -0.652   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.862  -1.476   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.600  -1.844   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.288  -1.388   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.237  -0.565   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.499  -0.197   0.000  1.00  0.00           C  
HETATM   24  F   UNL     1       3.925  -0.109   0.000  1.00  0.00           F  
HETATM   25  N   UNL     1      -2.993   2.341   0.000  1.00  0.00           N  
HETATM   26  O   UNL     1      -1.278  -0.967   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.065  -1.764   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.066  -2.341   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       0.951  -2.068   0.000  1.00  0.00           O  
CONECT    1    2    5    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   26                                            
CONECT    4    3    5    8                                            
CONECT    5    4    1    6                                            
CONECT    6    5   25                                                 
CONECT    7    1                                                      
CONECT    8    4    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11                                                      
CONECT   15   10   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19   23                                            
CONECT   19   18   20   29                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   18                                                 
CONECT   24   22                                                      
CONECT   25    6                                                      
CONECT   26    3   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   19                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D00DYI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.999   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.999  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.285  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.570  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.570   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.285   0.825   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.786  -0.667   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.301   0.000   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1      -0.786   0.667   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1       0.524   0.000   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.937  -0.715   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.762  -0.715   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.174   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.762   0.715   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.937   0.715   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       2.999   0.000   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13                                                      
MASTER        0    0    0    0    0    0    0    0   16    0   16    0
END
M  END

$$$$
D00EBN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.120   1.933   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.295   1.933   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.882   1.219   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.295   0.504   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.120   0.504   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.532   1.219   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.057   1.219   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.428   1.886   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.212   1.631   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.212   0.806   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.428   0.551   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.927   2.044   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.641   1.631   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.641   0.806   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.927   0.394   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.356   0.394   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.173  -0.234   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.725  -0.847   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.532  -0.675   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1      -0.470  -1.631   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.337  -1.803   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.889  -1.190   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       1.696  -1.361   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       2.248  -0.748   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.993   0.037   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.186   0.208   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.634  -0.405   0.000  1.00  0.00           C  
HETATM   28 CL   UNL     2       3.271  -0.679   0.000  1.00  0.00          Cl  
HETATM   29  C   UNL     1       0.242  -2.044   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.472  -1.631   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.356   1.219   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   31                                            
CONECT    7    3    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11   15                                            
CONECT   11   10    7   17                                            
CONECT   12    9   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   10                                                 
CONECT   16   14                                                      
CONECT   17   11   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   21   30                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   29   30                                                      
CONECT   30   20   29                                                 
CONECT   31    6                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D00ECX
  -OEChem-09301911102D

 35 36  0     0  0  0  0  0  0999 V2000
    4.2690    5.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244   -3.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230   -3.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5571   -5.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1771   -4.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 12  1  0  0  0  0
  2 32  1  0  0  0  0
  3 16  2  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 21  2  0  0  0  0
  6 11  1  0  0  0  0
  6 13  2  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 13 24  1  0  0  0  0
 14 18  1  0  0  0  0
 14 25  1  0  0  0  0
 15 19  2  0  0  0  0
 15 26  1  0  0  0  0
 17 21  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 20  2  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 22 33  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
M  END

$$$$
D00EGV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.357   0.206   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.072  -0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.786   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.501  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.215   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.930  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       4.644   0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.644   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.930   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.215   1.031   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.501   0.206   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.215  -0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.930   0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.644  -0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.644  -1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.930  -1.444   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.215  -1.031   0.000  1.00  0.00           C  
CONECT    1    2    6   17                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    1   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D00EUL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.469  -0.199   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.245   0.214   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.960  -0.199   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.674   0.214   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.389  -0.199   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       3.103   0.214   0.000  1.00  0.00           N  
HETATM    7  O   UNL     1       1.674   1.039   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       3.857  -0.122   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       4.409   0.491   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.996   1.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.189   1.034   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       4.251   1.990   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.699   2.603   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.892   2.432   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.637   1.647   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.112  -0.906   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       4.919  -1.078   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       5.471  -0.465   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       5.216   0.320   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.699  -1.621   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.251  -2.234   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       5.005  -1.898   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1      -1.184   0.214   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.898  -0.199   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.898  -1.024   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.184  -1.436   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.469  -1.024   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.613  -1.436   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.327  -1.024   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.042  -1.436   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.042  -2.261   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.327  -2.674   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.613  -2.261   0.000  1.00  0.00           C  
HETATM   34  S   UNL     1      -4.756  -2.674   0.000  1.00  0.00           S  
HETATM   35  C   UNL     1      -4.344  -3.388   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1      -5.471  -3.086   0.000  1.00  0.00           N  
HETATM   37  O   UNL     1      -5.169  -1.959   0.000  1.00  0.00           O  
HETATM   38  F   UNL     1       3.954   3.388   0.000  1.00  0.00           F  
CONECT    1    2   23   27                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    8   11                                            
CONECT    7    4                                                      
CONECT    8    6    9   16                                            
CONECT    9    8   10   19                                            
CONECT   10    9   11   12                                            
CONECT   11   10    6   15                                            
CONECT   12   10   13                                                 
CONECT   13   12   14   38                                            
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16    8   17   20                                            
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18    9                                                 
CONECT   20   16   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23    1   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26    1                                                 
CONECT   28   25   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34   31   35   36   37                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
CONECT   38   13                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END

$$$$

$$$$

$$$$
D00FJH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.710   2.005   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.004   2.417   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.719   2.005   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.433   2.417   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1       0.004   3.242   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1       2.147   2.005   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.862   2.417   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.862   3.242   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.147   3.655   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.433   3.242   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       3.576   3.655   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.425   2.417   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.139   2.005   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.139   1.180   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.425   0.767   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.710   1.180   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.854   0.767   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.854  -0.058   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.568  -0.470   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.568  -1.295   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.854  -1.708   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.139  -1.295   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.139  -0.470   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.283  -0.058   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.283   0.767   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1      -4.997  -0.470   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.854  -2.533   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.521  -3.018   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.266  -3.803   0.000  1.00  0.00           N  
HETATM   30  N   UNL     1      -2.441  -3.803   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.186  -3.018   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.956  -4.470   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1      -1.425  -0.058   0.000  1.00  0.00           F  
HETATM   34  H   UNL     1      -1.744   1.864   0.000  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.201   1.602   0.000  1.00  0.00           H  
HETATM   36  C   UNL     1       4.288   3.242   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1       3.579   2.014   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1       3.060   3.951   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1       4.997   4.470   0.000  1.00  0.00           F  
CONECT    1    2   12   16                                            
CONECT    2    1    3    5                                            
CONECT    3    2    4                                                 
CONECT    4    3    6   10                                            
CONECT    5    2                                                      
CONECT    6    4    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    8   36                                                 
CONECT   12    1   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17   34                                       
CONECT   15   14   16   33   35                                       
CONECT   16   15    1                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   27                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   19   25   26                                            
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   21   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30   27                                                 
CONECT   32   30                                                      
CONECT   33   15                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   37   38   39   11                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   36                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END

$$$$

$$$$

$$$$
D00FKF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.658   0.514   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.658  -0.311   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.056  -0.724   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.771  -0.311   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.771   0.514   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.056   0.926   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.555  -0.566   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.040   0.102   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.555   0.769   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.373  -0.724   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.056   1.752   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.373  -1.548   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.040  -2.034   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.785  -2.818   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.960  -2.818   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1      -0.705  -2.034   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.377  -3.401   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.771   2.164   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.771   2.989   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.056   3.401   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.658   2.989   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.658   2.164   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.373   3.401   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.769   1.566   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       1.982   2.360   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9   24    8    5                                            
CONECT   10    2   12                                                 
CONECT   11    6   18   22                                            
CONECT   12   10   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   12                                                 
CONECT   17   15                                                      
CONECT   18   11   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   11                                                 
CONECT   23   21                                                      
CONECT   24   25    9                                                 
CONECT   25   24                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D00FUZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.841  -1.429   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.666  -1.429   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.078  -2.143   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.666  -2.858   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.841  -2.858   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.428  -2.143   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.428  -0.715   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.603  -0.715   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.191   0.000   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.603   0.715   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.428   0.715   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.841   0.000   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.191   1.429   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.603   2.143   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.428   2.143   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.841   1.429   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.366   0.000   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       0.047   0.715   0.000  1.00  0.00           O  
HETATM   19  N   UNL     1       0.047  -0.715   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       0.872  -0.715   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       1.357  -1.382   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       2.141  -1.127   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.141  -0.302   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1       1.357  -0.047   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       2.809  -1.612   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.809  -2.437   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       3.593  -2.692   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.078  -2.024   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.593  -1.357   0.000  1.00  0.00           C  
HETATM   30 CL   UNL     1      -1.191   2.858   0.000  1.00  0.00          Cl  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   17                                            
CONECT   10    9   11   13                                            
CONECT   11   10   12   16                                            
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15   30                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    9   18   19                                            
CONECT   18   17                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   20                                                 
CONECT   25   22   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   25                                                 
CONECT   30   14                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D00GGB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.276   0.411   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.276  -0.411   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.564  -0.822   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.852  -0.411   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.564   0.822   0.000  1.00  0.00           C  
HETATM    6  S   UNL     1      -2.140   0.822   0.000  1.00  0.00           S  
HETATM    7  C   UNL     1      -2.140   1.644   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.852   2.055   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.564   1.644   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.140  -0.822   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.428  -0.411   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.428   0.411   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.716  -0.822   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.004  -0.411   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.708  -0.822   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.420  -0.411   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       2.132  -0.822   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.767   0.609   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1      -2.140  -1.644   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.004   0.411   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1       2.132  -1.644   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       0.708  -1.644   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.004  -2.055   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.420  -2.055   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.564  -1.644   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.847  -0.410   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       3.561  -0.822   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       4.276  -0.410   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.276   0.415   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       3.561   0.828   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       2.847   0.415   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   25                                            
CONECT    4    3   10                                                 
CONECT    5    1    9   18                                            
CONECT    6    7   12                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    4   11   19                                            
CONECT   11   10   12   13                                            
CONECT   12   11    6                                                 
CONECT   13   11   14                                                 
CONECT   14   13   15   20                                            
CONECT   15   14   16   22                                            
CONECT   16   15   17                                                 
CONECT   17   16   21   26                                            
CONECT   18    5                                                      
CONECT   19   10                                                      
CONECT   20   14                                                      
CONECT   21   17                                                      
CONECT   22   15   23   24                                            
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25    3                                                      
CONECT   26   17   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D00GJY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.650  -4.067   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.650  -4.892   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.936  -5.305   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.221  -4.892   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.221  -4.067   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.936  -3.655   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.437  -5.147   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.952  -4.480   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.437  -3.812   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.936  -2.830   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.268  -2.345   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.523  -1.560   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1      -3.348  -1.560   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.603  -2.345   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.038  -0.893   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.224  -0.764   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.353   0.051   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.167  -0.078   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.455  -1.476   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.630  -1.476   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.195  -1.476   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.868   0.719   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.047   0.633   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.438   1.300   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.102   2.054   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.718   2.140   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.203   1.472   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       0.587   2.721   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       1.408   2.635   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       1.743   1.881   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       2.564   1.795   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       3.049   2.462   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       2.713   3.216   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.893   3.302   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.198   3.883   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1       2.862   4.637   0.000  1.00  0.00           N  
HETATM   37  C   UNL     1       2.042   4.723   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       3.347   5.305   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       2.899   1.041   0.000  1.00  0.00           C  
HETATM   40  F   UNL     1       2.148   0.707   0.000  1.00  0.00           F  
HETATM   41  F   UNL     1       3.234   0.290   0.000  1.00  0.00           F  
HETATM   42  F   UNL     1       3.650   1.376   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    6   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   12   16   18   19                                       
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   15                                                 
CONECT   19   15   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20                                                      
CONECT   22   23   27   17                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   29   25                                                 
CONECT   29   28   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   39   30   32                                            
CONECT   32   31   33                                                 
CONECT   33   32   34   35                                            
CONECT   34   33   29                                                 
CONECT   35   33   36                                                 
CONECT   36   35   37   38                                            
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   40   41   42   31                                       
CONECT   40   39                                                      
CONECT   41   39                                                      
CONECT   42   39                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D00GLJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.888  -1.072   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.475  -1.786   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.650  -1.786   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.238  -1.072   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.650  -0.357   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.475  -0.357   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.412  -1.072   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.000  -0.357   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.000  -1.786   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.825  -1.786   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.238  -2.501   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.062  -2.501   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.475  -1.786   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.062  -1.072   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.238  -1.072   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.300  -1.786   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.712  -2.501   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       3.712  -1.072   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       3.300  -0.357   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       0.825  -0.357   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.238   0.357   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.825   1.072   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.000   1.072   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.412   0.357   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.712  -1.072   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       1.238   1.786   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       0.825   2.501   0.000  1.00  0.00           C  
CONECT    1    2    6   25                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   20   24                                            
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18                                                      
CONECT   20    8   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23    8                                                 
CONECT   25    1                                                      
CONECT   26   22   27                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D00GMI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.295  -1.854   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.295  -2.679   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.580  -3.092   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.866  -2.679   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.866  -1.854   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.580  -1.442   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.151  -3.092   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.437  -2.679   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.278  -3.092   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.992  -2.679   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.992  -1.854   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.278  -1.442   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.437  -1.854   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.580  -0.617   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.706  -1.442   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.421  -1.854   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       1.706  -0.617   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       3.135  -1.442   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.850  -1.854   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.564  -1.442   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.564  -0.617   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.850  -0.204   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.135  -0.617   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.421  -0.204   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.866  -0.204   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.866   0.621   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.580   1.033   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.295   0.621   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.295  -0.204   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.079  -1.599   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.564  -2.267   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.079  -2.934   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.850  -2.679   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1      -2.580   1.858   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1      -3.292   2.269   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1      -4.004   2.681   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -4.004   1.858   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1      -3.292   3.092   0.000  1.00  0.00           F  
CONECT    1    2    6   30                                            
CONECT    2    1    3   32                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   14                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    6   25   29                                            
CONECT   15   11   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   19   23                                            
CONECT   19   18   20   33                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18   24                                            
CONECT   24   23                                                      
CONECT   25   14   26                                                 
CONECT   26   25   27                                                 
CONECT   27   34   26   28                                            
CONECT   28   27   29                                                 
CONECT   29   28   14                                                 
CONECT   30    1   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31    2                                                 
CONECT   33   19                                                      
CONECT   34   35   27                                                 
CONECT   35   36   37   38   34                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D00GMJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.688   1.507   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.688   0.682   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.096   0.427   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.581   1.095   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.096   1.762   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.403   1.920   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.117   1.507   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.117   0.682   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.403   0.270   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.351   2.547   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.565   3.344   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.310  -0.370   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.274  -0.953   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.060  -1.750   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.737  -1.963   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.320  -1.380   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.107  -0.583   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.951  -2.760   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.747  -2.974   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1       0.367  -3.344   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1       2.117  -1.594   0.000  1.00  0.00           O  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   12                                            
CONECT    4    3    5                                                 
CONECT    5    4    1   10                                            
CONECT    6    1    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    5   11                                                 
CONECT   11   10                                                      
CONECT   12    3   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17   21                                            
CONECT   17   16   12                                                 
CONECT   18   15   19   20                                            
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   16                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D00GOM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.673  -0.633   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.673  -1.458   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.388  -1.870   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.102  -1.458   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.102  -0.633   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.388  -0.220   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       2.817  -1.870   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       3.531  -1.458   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.531  -0.633   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.817  -0.220   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       4.328  -1.671   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.745  -2.255   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       1.388   0.605   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.673   1.017   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.041  -0.220   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.756  -0.633   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.041   0.605   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.470  -0.220   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.470   0.605   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.185   1.017   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.899   0.605   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.899  -0.220   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.185  -0.633   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.185   1.842   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.899   2.255   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.614   1.017   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.328   0.605   0.000  1.00  0.00           C  
HETATM   28  H   UNL     1      -1.168  -1.347   0.000  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.343  -1.347   0.000  1.00  0.00           H  
CONECT    1    2    6   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   13                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   11   12                                       
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    8                                                      
CONECT   12    8                                                      
CONECT   13    6   14                                                 
CONECT   14   13                                                      
CONECT   15    1   16   17                                            
CONECT   16   15   18   28   29                                       
CONECT   17   15                                                      
CONECT   18   16   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   20   25                                                 
CONECT   25   24                                                      
CONECT   26   21   27                                                 
CONECT   27   26                                                      
CONECT   28   16                                                      
CONECT   29   16                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D00GTY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.451   1.900   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.451   1.075   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.166   0.662   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.166  -0.163   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.451  -0.575   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.737  -0.163   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.737   0.662   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.048  -0.418   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.533   0.250   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.048   0.917   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.261   1.714   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.058   1.928   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.272   2.724   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.689   3.308   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.108   3.094   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.322   2.297   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.460  -1.132   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.123  -1.885   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.735  -2.438   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.450  -2.028   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.281  -1.220   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.735  -3.264   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.450  -3.678   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.166  -3.264   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.166  -2.438   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1      -0.692   3.678   0.000  1.00  0.00           F  
HETATM   27  O   UNL     1       2.069   2.938   0.000  1.00  0.00           O  
CONECT    1    2                                                      
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7    8                                            
CONECT    7    6    2   10                                            
CONECT    8    6    9   17                                            
CONECT    9    8   10                                                 
CONECT   10    9    7   11                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   27                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   26                                            
CONECT   16   15   11                                                 
CONECT   17    8   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21   25                                            
CONECT   21   20   17                                                 
CONECT   22   19   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   15                                                      
CONECT   27   13                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D00GWE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215  -1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215  -2.269   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.501  -2.681   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.786  -2.269   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.786  -1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.072  -2.681   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.357  -2.269   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.357  -1.444   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.072  -1.031   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1      -3.930  -2.681   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.644  -2.269   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.357  -2.681   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.072  -2.269   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.786  -2.681   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.501  -2.269   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.215  -2.681   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       2.501  -1.444   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       3.215  -1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.215  -0.206   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.930   0.206   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       3.930   1.031   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.644   1.444   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.644   2.269   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.930   2.681   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.215   2.269   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.501   2.681   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       1.786   2.269   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       1.072   2.681   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.357   2.269   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.357   2.681   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.072   2.269   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.072   1.444   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.357   1.031   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       0.357   1.444   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1       1.072   3.506   0.000  1.00  0.00           O  
HETATM   37  O   UNL     1       2.501   0.206   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1       1.786  -1.031   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       1.573  -0.234   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       1.573   0.591   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       0.776  -0.448   0.000  1.00  0.00           C  
HETATM   42  O   UNL     1       0.357  -3.506   0.000  1.00  0.00           O  
HETATM   43  C   UNL     1      -1.786   1.031   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.540   1.367   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1      -3.092   0.754   0.000  1.00  0.00           C  
HETATM   46  N   UNL     1      -2.679   0.039   0.000  1.00  0.00           N  
HETATM   47  N   UNL     1      -1.872   0.211   0.000  1.00  0.00           N  
HETATM   48  C   UNL     1      -2.795   2.151   0.000  1.00  0.00           C  
HETATM   49  C   UNL     1      -3.602   2.323   0.000  1.00  0.00           C  
HETATM   50  C   UNL     1      -4.154   1.710   0.000  1.00  0.00           C  
HETATM   51  C   UNL     1      -3.899   0.925   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    2   12                                                 
CONECT   12   11                                                      
CONECT   13    8   14   42                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19   38                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   37                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   36                                            
CONECT   30   29   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   43                                            
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
CONECT   36   29                                                      
CONECT   37   20                                                      
CONECT   38   18   39                                                 
CONECT   39   38   40   41                                            
CONECT   40   39                                                      
CONECT   41   39                                                      
CONECT   42   13                                                      
CONECT   43   33   44   47                                            
CONECT   44   43   45   48                                            
CONECT   45   44   46   51                                            
CONECT   46   45   47                                                 
CONECT   47   46   43                                                 
CONECT   48   44   49                                                 
CONECT   49   48   50                                                 
CONECT   50   49   51                                                 
CONECT   51   50   45                                                 
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
M  END

$$$$
D00HBJ
  -OEChem-09301911142D

 53 57  0     1  0  0  0  0  0999 V2000
    3.9010   -3.1544    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6399   -3.7943    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5331    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838   -2.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6357    3.2665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2612   -1.8932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838    0.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4278    2.2318    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.7857    0.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6518    0.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8395    2.0297    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2559    1.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5178   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2498   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5178   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2498   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5178    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5178    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6518    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4358    3.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7857    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5337    3.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2880    1.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8395    0.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5289   -0.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5504   -0.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1967   -1.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2397   -1.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8860   -2.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9075   -2.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9505   -2.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8469   -0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3057   -0.6924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9072   -1.3827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8604   -1.3827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4619   -0.6924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9208    0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9072   -2.1673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3057   -2.8576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4619   -2.8576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8604   -2.1673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0458    3.1626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6494    3.8555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9311    4.2702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1328    4.2672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9718    1.1885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8213    1.4057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6042    2.2552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1363   -0.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8034   -1.1467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3001   -2.6866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7149   -3.0206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 32  1  0  0  0  0
  3 32  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 20  1  0  0  0  0
  5 23  1  0  0  0  0
  6 29  1  0  0  0  0
  6 32  1  0  0  0  0
  7 13  1  0  0  0  0
  7 18  1  0  0  0  0
  7 38  1  0  0  0  0
  8 19  1  0  0  0  0
  8 21  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
  9 25  1  0  0  0  0
 10 18  2  0  0  0  0
 11 12  1  0  0  0  0
 11 22  2  0  0  0  0
 12 25  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 33  1  0  0  0  0
 14 16  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 17  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 50  1  0  0  0  0
 28 30  2  0  0  0  0
 28 51  1  0  0  0  0
 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
 30 52  1  0  0  0  0
 31 53  1  0  0  0  0
M  END

$$$$
D00HGD
  -OEChem-09301911152D

 52 56  0     0  0  0  0  0  0999 V2000
    6.3301    4.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9446   -0.5346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561    0.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561    2.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9490    3.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979    0.6671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979    2.3329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 23  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5 15  1  0  0  0  0
  5 18  1  0  0  0  0
  5 44  1  0  0  0  0
  6 18  1  0  0  0  0
  6 21  2  0  0  0  0
  7 23  1  0  0  0  0
  7 26  1  0  0  0  0
  7 47  1  0  0  0  0
  8 10  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 16  1  0  0  0  0
 13 40  1  0  0  0  0
 14 17  2  0  0  0  0
 14 41  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 20 22  2  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 45  1  0  0  0  0
 24 26  2  0  0  0  0
 24 46  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 26 48  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 28 49  1  0  0  0  0
 29 31  1  0  0  0  0
 29 50  1  0  0  0  0
 30 31  2  0  0  0  0
 30 51  1  0  0  0  0
 31 52  1  0  0  0  0
M  END

$$$$
D00HQJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.922  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.922  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.207  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.493  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.493  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.207   0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.778  -1.444   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.064  -1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.064  -0.206   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.778   0.206   0.000  1.00  0.00           N  
HETATM   11  F   UNL     1      -5.636   0.206   0.000  1.00  0.00           F  
HETATM   12  F   UNL     1      -5.636  -1.444   0.000  1.00  0.00           F  
HETATM   13  N   UNL     1      -1.349   0.206   0.000  1.00  0.00           N  
HETATM   14  O   UNL     1      -1.349  -1.444   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.635  -1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.349   1.031   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.635   1.444   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.080   1.031   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.064   1.444   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       0.080   0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.794  -0.206   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.509   0.206   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.509   1.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.794   1.444   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.223  -0.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.938   0.206   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.652  -0.206   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.367   0.206   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.367   1.031   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.652   1.444   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.938   1.031   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       5.151  -0.049   0.000  1.00  0.00           N  
HETATM   33  N   UNL     1       5.636   0.619   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1       5.151   1.286   0.000  1.00  0.00           C  
CONECT    1    2    6   11                                            
CONECT    2    1    3   12                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   14                                            
CONECT    9    8   10   13                                            
CONECT   10    9    5                                                 
CONECT   11    1                                                      
CONECT   12    2                                                      
CONECT   13    9   16                                                 
CONECT   14    8   15                                                 
CONECT   15   14                                                      
CONECT   16   13   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   20   24                                            
CONECT   19   16                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
CONECT   25   22   26                                                 
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29   32                                            
CONECT   29   28   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   28   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D00HXJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.317  -1.331   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.602  -1.744   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.112  -1.331   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.827  -1.744   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.541  -1.331   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.541  -0.506   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.827  -0.093   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.112  -0.506   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.256  -0.093   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       2.256   0.732   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1       2.970  -0.506   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1       3.684  -0.093   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.403  -0.511   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.210  -0.339   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.623  -1.054   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.071  -1.667   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.429  -1.225   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.684  -2.010   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.132  -2.623   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.325  -2.451   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.851   0.102   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.106   0.887   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.913   1.059   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.465   0.446   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.679   1.242   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.095   1.826   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.298   1.612   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.309   2.623   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.714   2.195   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1      -3.475   1.456   0.000  1.00  0.00           O  
CONECT    1    2   13   16                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7    9                                            
CONECT    7    6    8                                                 
CONECT    8    7    3                                                 
CONECT    9    6   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   12                                                 
CONECT   12   11                                                      
CONECT   13    1   14   21                                            
CONECT   14   13   15   24                                            
CONECT   15   14   16   17                                            
CONECT   16   15    1   20                                            
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   16                                                 
CONECT   21   13   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   14   25                                            
CONECT   25   24   26   30                                            
CONECT   26   25   27   28                                            
CONECT   27   26   22   29                                            
CONECT   28   26                                                      
CONECT   29   27                                                      
CONECT   30   25                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D00ICS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.259  -0.768   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.456  -0.355   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.170  -0.768   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.885  -0.355   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.973  -0.355   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       0.456   0.470   0.000  1.00  0.00           O  
HETATM    7  N   UNL     1       2.638  -0.691   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1       3.190  -0.078   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.778   0.637   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.971   0.465   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.864   1.457   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.810  -1.498   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.060   0.465   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.867   0.637   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.279  -0.078   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.727  -0.691   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.899  -1.498   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.683  -1.753   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.855  -2.560   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.242  -3.112   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.457  -2.857   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.286  -2.050   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.275   1.462   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.989   1.874   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.989   2.699   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.704   3.112   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -0.844  -3.409   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -2.413  -3.919   0.000  1.00  0.00           F  
HETATM   29  N   UNL     1       3.618   1.793   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       3.704   2.613   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.036   3.098   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       2.283   2.763   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       2.196   1.942   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.123   3.919   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    7   10                                            
CONECT    5    1   13   16                                            
CONECT    6    2                                                      
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    4                                                 
CONECT   11    9   29   33                                            
CONECT   12    7                                                      
CONECT   13    5   14                                                 
CONECT   14   13   15   23                                            
CONECT   15   14   16                                                 
CONECT   16   15    5   17                                            
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   28                                            
CONECT   21   20   22   27                                            
CONECT   22   21   17                                                 
CONECT   23   14   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25                                                      
CONECT   27   21                                                      
CONECT   28   20                                                      
CONECT   29   11   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   11                                                 
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D00IKR
  -OEChem-09301911142D

 58 60  0     0  0  0  0  0  0999 V2000
    7.7331   -5.1830    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.3170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.3170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    4.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0991    5.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0991    3.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -5.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    0.3420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    0.3420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230    2.8996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244    2.2093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791    0.7344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4776    1.4246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    3.2919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    3.2919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    1.3996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    0.7093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7751    4.2800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    5.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1551    5.3539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6360    5.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7891    5.7200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5622    4.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622    3.1410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4091    2.9140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6360    3.7610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584   -3.0753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569   -3.7656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.5630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -3.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -5.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 15  2  0  0  0  0
  4 17  1  0  0  0  0
  4 54  1  0  0  0  0
  5 19  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 15  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 14  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 25  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 55  1  0  0  0  0
 27 29  2  0  0  0  0
 27 56  1  0  0  0  0
 28 30  2  0  0  0  0
 28 57  1  0  0  0  0
 29 30  1  0  0  0  0
 29 58  1  0  0  0  0
M  END

$$$$
D00IPI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429   0.412   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.429  -0.412   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.714  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.000   0.412   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.714   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.714   0.825   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.429   0.412   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1       0.714   1.650   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       2.143   0.825   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.858   0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.572   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.572   1.650   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.858   2.062   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.143   1.650   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.287   0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.287  -0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       5.001  -0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       5.716  -0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       5.716   0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       5.001   0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       5.001  -1.650   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       5.716  -2.062   0.000  1.00  0.00           N  
HETATM   24  O   UNL     1       4.287  -2.062   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.143   0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.143  -0.825   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.858  -0.412   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.858   0.412   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.572   0.825   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.287   0.412   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.287  -0.412   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1      -3.572  -0.825   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1      -5.001   0.825   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.716   0.412   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.716  -0.412   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.001  -0.825   0.000  1.00  0.00           C  
CONECT    1    2    6   25                                            
CONECT    2    1    3   26                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   12   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   18   23   24                                            
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25    1                                                      
CONECT   26    2   27                                                 
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32   36                                            
CONECT   32   31   27                                                 
CONECT   33   30   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D00ITT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.866   1.032   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.866   0.207   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.151  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.437   0.207   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.437   1.032   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.151   1.444   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.151  -1.031   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.866  -1.443   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.866  -2.268   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.151  -2.681   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.437  -2.268   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.437  -1.443   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.650  -1.188   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.135  -1.856   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1      -2.650  -2.523   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1       0.278  -1.031   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       0.278  -0.206   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       0.992  -1.443   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.706  -1.031   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.421  -1.443   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.135  -1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.421  -2.268   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.151   2.269   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.863   2.681   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6   23    5    1                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10   15                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7   16                                            
CONECT   13    8   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    9                                                 
CONECT   16   12   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20                                                      
CONECT   22   20                                                      
CONECT   23   24    6                                                 
CONECT   24   23                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D00JAH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.056   0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.056   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.770  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.485   0.000   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.485   0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.770   1.238   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.199  -0.412   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.914   0.000   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.914   0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.199   1.238   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.628   1.238   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.628   2.062   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.914   2.475   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.199   2.062   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.659  -0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.373   0.000   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.071  -1.127   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.087  -0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.802   0.000   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.517  -0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.517  -1.238   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.802  -1.650   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.087  -1.238   0.000  1.00  0.00           N  
HETATM   24  O   UNL     1       3.628  -0.412   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.803  -2.475   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.628  -2.475   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.247  -1.126   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.072  -1.126   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   15                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   24                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15    2   16   17   27                                       
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   18                                                 
CONECT   24    8                                                      
CONECT   25   22   26                                                 
CONECT   26   25                                                      
CONECT   27   15   28                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D00JCQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.495   0.100   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.780   0.512   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.066   0.100   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.351   0.512   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.363   0.100   0.000  1.00  0.00           N  
HETATM    6  O   UNL     1      -0.351   1.337   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1       0.363  -0.725   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.077  -1.138   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.792  -0.725   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.792   0.100   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.077   0.512   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.577  -0.980   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       3.062  -0.313   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       2.577   0.355   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       2.832  -1.765   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1      -3.209   0.512   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.209   1.337   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.924   1.750   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.638   1.337   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.638   0.512   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.924   0.100   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.467   0.754   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.254   1.551   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.457   1.765   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.873   1.181   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.087   0.384   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.884   0.171   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.988   0.767   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.401   0.053   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.226   0.053   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.638   0.767   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.226   1.482   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.401   1.482   0.000  1.00  0.00           C  
CONECT    1    2   16                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    7   11                                            
CONECT    6    4                                                      
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11   14                                            
CONECT   11   10    5                                                 
CONECT   12    9   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13   10   22   28                                       
CONECT   15   12                                                      
CONECT   16    1   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   14   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   14   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D00JEC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -4.318   1.023   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.730   0.309   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.178  -0.304   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.425   0.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.511   0.852   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.653   1.777   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -2.710  -0.381   0.000  1.00  0.00           S  
HETATM    8  O   UNL     1      -2.298   0.333   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1      -3.123  -1.096   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1      -1.996  -0.794   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.281  -0.381   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.567  -0.794   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       0.148  -0.381   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.862  -0.794   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.862  -1.619   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.577  -2.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.291  -1.619   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.291  -0.794   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.577  -0.381   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.006  -0.381   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.219  -1.178   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       4.016  -0.964   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.802  -0.168   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.690   0.381   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.975   0.794   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.975   1.619   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.261   2.031   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.546   1.619   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.546   0.794   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.261   0.381   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.730  -1.377   0.000  1.00  0.00           C  
CONECT    1    2    5    6                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    1                                                 
CONECT    6    1                                                      
CONECT    7    4    8    9   10                                       
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    7   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   14                                                 
CONECT   20   18   21   23   24                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   31                                            
CONECT   23   22   20                                                 
CONECT   24   20   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   22                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D00JGN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.768   2.681   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.768   1.856   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.054   1.444   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.660   1.856   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.660   2.681   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.054   3.094   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.375   1.444   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.375   0.619   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.483   1.444   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.483   0.619   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.197   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.197  -0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.483  -1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.768  -0.619   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.768   0.206   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.483  -1.856   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       0.707   0.134   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.962  -0.651   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.787  -0.651   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       2.042   0.134   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.768  -2.269   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.768  -3.094   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.373   3.094   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.197   3.094   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   23                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7   17   20                                            
CONECT    9    2   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   21                                                 
CONECT   17    8   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19    8                                                 
CONECT   21   16   22                                                 
CONECT   22   21                                                      
CONECT   23    5   24                                                 
CONECT   24   23                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D00JLX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786  -1.182   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786  -0.357   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072   0.055   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072   0.880   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.786   1.293   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.501   0.880   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.501   0.055   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.786   2.118   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.072   2.530   0.000  1.00  0.00           N  
HETATM   10  S   UNL     1      -0.357   2.118   0.000  1.00  0.00           S  
HETATM   11  H   UNL     1      -2.501   1.705   0.000  1.00  0.00           H  
HETATM   12  H   UNL     1      -2.501  -0.770   0.000  1.00  0.00           H  
HETATM   13  C   UNL     1      -2.501  -1.595   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.501  -2.420   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.786  -2.832   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.072  -2.420   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.072  -1.595   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.357  -2.832   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.357  -2.420   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.357  -1.595   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.357  -1.182   0.000  1.00  0.00           C  
HETATM   22  F   UNL     1       1.072  -1.182   0.000  1.00  0.00           F  
HETATM   23  C   UNL     1       0.357   1.705   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       0.055   2.832   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.770   1.403   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.501   2.530   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.357   0.880   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.072   0.468   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.786   0.880   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.786   1.705   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.072   2.118   0.000  1.00  0.00           C  
HETATM   32 CL   UNL     1       2.501   2.118   0.000  1.00  0.00          Cl  
CONECT    1    2   13   17                                            
CONECT    2    1    3    7   12                                       
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8   11                                       
CONECT    6    5    7                                                 
CONECT    7    6    2                                                 
CONECT    8    5    9   26                                            
CONECT    9    8   10                                                 
CONECT   10    9   23   24   25                                       
CONECT   11    5                                                      
CONECT   12    2                                                      
CONECT   13    1   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16    1   21                                            
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   17                                                 
CONECT   22   20                                                      
CONECT   23   10   27   31                                            
CONECT   24   10                                                      
CONECT   25   10                                                      
CONECT   26    8                                                      
CONECT   27   23   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30   23                                                 
CONECT   32   30                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D00JQA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.999   0.715   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.999  -0.111   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.285  -0.523   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.570  -0.111   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.570   0.715   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.285   1.127   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.786  -0.365   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.301   0.302   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.786   0.969   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.524   0.302   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.937  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.762  -0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.174   0.302   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.762   1.016   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.937   1.016   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       2.999   0.302   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1       0.524  -1.127   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12   17                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13                                                      
CONECT   17   11                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D00JUI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.766  -2.390   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.766  -3.215   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       1.481  -3.628   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.195  -3.215   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.195  -2.390   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.481  -1.978   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.018  -2.135   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.503  -2.803   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.018  -3.470   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -1.328  -2.803   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.741  -2.088   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.328  -1.374   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.741  -0.659   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.566  -0.659   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.978  -1.374   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.566  -2.088   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.978   0.055   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.803   0.055   0.000  1.00  0.00           O  
HETATM   19  N   UNL     1      -2.566   0.770   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.741   0.770   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.978   1.484   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.566   2.199   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.978   2.913   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.803   2.913   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.216   2.199   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.803   1.484   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.216   3.628   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.481  -1.153   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.195  -0.740   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.195   0.085   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       1.481   0.497   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       0.766   0.085   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       0.766  -0.740   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.481   1.322   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1       2.195   1.735   0.000  1.00  0.00           N  
HETATM   36  O   UNL     1       0.766   1.735   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1       2.992   1.521   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       3.205   2.318   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       2.409   2.532   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       4.002   2.105   0.000  1.00  0.00           C  
HETATM   41  O   UNL     1       4.216   2.902   0.000  1.00  0.00           O  
HETATM   42  C   UNL     1       3.419   3.115   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   28                                            
CONECT    7    1    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   14   18   19                                            
CONECT   18   17                                                      
CONECT   19   17   20   21                                            
CONECT   20   19                                                      
CONECT   21   19   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   24                                                      
CONECT   28    6   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34   31   35   36                                            
CONECT   35   34   37   39                                            
CONECT   36   34                                                      
CONECT   37   35   38                                                 
CONECT   38   37   39   40   42                                       
CONECT   39   38   35                                                 
CONECT   40   38   41                                                 
CONECT   41   40   42                                                 
CONECT   42   41   38                                                 
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D00KCT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.659  -1.913   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.484  -1.913   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.897  -1.198   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.484  -0.484   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.659  -0.484   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.247  -1.198   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.897   0.231   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.722   0.231   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.134   0.945   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.722   1.660   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.897   1.660   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.484   0.945   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.247   0.231   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.578   0.231   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.991  -0.484   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.991   0.945   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.705   1.358   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.420   0.945   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.420   0.120   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1      -3.134   1.358   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.038   1.843   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.293   2.627   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.118   2.627   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.373   1.843   0.000  1.00  0.00           C  
HETATM   25 CL   UNL     1       0.247  -2.627   0.000  1.00  0.00          Cl  
CONECT    1    2    6   25                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   13                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    5   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18   21   24                                       
CONECT   18   17   19   20                                            
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   17   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   17                                                 
CONECT   25    1                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D00KDT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -4.287   0.624   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.287  -0.201   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572  -0.614   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.858  -0.201   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.858   0.624   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.572   1.036   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.572   1.858   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.860   2.269   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.151   1.860   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.860   3.089   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.143   1.036   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.143  -0.614   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.143  -1.439   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.429  -0.201   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.429   0.624   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.715  -0.614   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.858  -1.851   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.572  -1.439   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.858  -2.676   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.715  -1.439   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.000  -1.851   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       0.715  -1.439   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       0.715  -0.614   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.000  -0.201   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       1.429  -0.201   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       0.000   0.621   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.429  -1.851   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.429  -2.676   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.143  -1.439   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       0.715  -3.089   0.000  1.00  0.00           O  
HETATM   31  N   UNL     1       2.143  -3.089   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       2.858  -1.851   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.572  -1.439   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       4.287  -1.851   0.000  1.00  0.00           N  
HETATM   35  O   UNL     1       3.572  -0.614   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   12                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11    5                                                      
CONECT   12    4   13   14                                            
CONECT   13   12   17                                                 
CONECT   14   12   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   20   24                                            
CONECT   17   13   18   19                                            
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20   16   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24   25                                            
CONECT   24   23   16   26                                            
CONECT   25   23                                                      
CONECT   26   24                                                      
CONECT   27   22   28   29                                            
CONECT   28   27   30   31                                            
CONECT   29   27   32                                                 
CONECT   30   28                                                      
CONECT   31   28                                                      
CONECT   32   29   33                                                 
CONECT   33   32   34   35                                            
CONECT   34   33                                                      
CONECT   35   33                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D00KEX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.207   3.680   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.440   2.889   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.242   2.695   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.475   1.904   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.906   1.306   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.104   1.500   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.871   2.292   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.197   0.554   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.999   0.259   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.997  -0.545   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.177  -0.807   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.636  -0.139   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.663   0.528   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -4.254   0.234   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -4.254  -0.508   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.615  -0.818   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1      -3.665   1.455   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.909  -1.673   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.430  -2.244   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.197  -2.952   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.372  -3.199   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.857  -2.663   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.125  -1.838   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.056  -2.943   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       0.101  -3.680   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.566  -2.486   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.456  -2.792   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.197  -2.059   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       0.352  -1.689   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       2.968  -2.436   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       3.398  -1.911   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       4.254  -2.183   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.184  -1.114   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1      -0.074   2.505   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       0.509   1.922   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    7                                                 
CONECT    7    6    2   34                                            
CONECT    8    5    9   12                                            
CONECT    9    8   10   13                                            
CONECT   10    9   11   16                                            
CONECT   11   10   12   18                                            
CONECT   12   11    8                                                 
CONECT   13    9   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   10                                                 
CONECT   17   13                                                      
CONECT   18   19   23   11                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   18                                                 
CONECT   24   22   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   30                                                 
CONECT   29   26                                                      
CONECT   30   28   31                                                 
CONECT   31   30   32   33                                            
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34    7   35                                                 
CONECT   35   34                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D00KFI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.266  -1.286   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.552  -0.873   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.837  -1.286   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.123  -0.873   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.123  -0.048   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.837   0.364   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.552  -0.048   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.408   0.364   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.389   0.151   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.602   0.948   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.195   1.161   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.317   1.360   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.031   0.948   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       1.317   2.185   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -3.981  -0.873   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.266  -2.111   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1      -4.067  -0.053   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -4.874   0.119   0.000  1.00  0.00           C  
HETATM   19  S   UNL     1      -5.286  -0.596   0.000  1.00  0.00           S  
HETATM   20  C   UNL     1      -4.734  -1.209   0.000  1.00  0.00           C  
HETATM   21  S   UNL     1       2.117   0.127   0.000  1.00  0.00           S  
HETATM   22  C   UNL     1       2.924  -0.044   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.337   0.670   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.785   1.283   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.337  -0.759   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.162  -0.759   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.574  -0.044   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.162   0.670   0.000  1.00  0.00           C  
HETATM   29 CL   UNL     1       2.956   2.090   0.000  1.00  0.00          Cl  
HETATM   30  C   UNL     1       4.574  -1.473   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       3.862  -1.884   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       4.985  -2.185   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       5.286  -1.062   0.000  1.00  0.00           F  
CONECT    1    2   15   16                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    7                                                 
CONECT    7    6    2                                                 
CONECT    8    5    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10    8                                                 
CONECT   12   10   13   14                                            
CONECT   13   12   21   24                                            
CONECT   14   12                                                      
CONECT   15    1   17   20                                            
CONECT   16    1                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   13   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24   28                                            
CONECT   24   23   13   29                                            
CONECT   25   22   26                                                 
CONECT   26   30   25   27                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   24                                                      
CONECT   30   31   32   33   26                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D00KII
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -7.728   1.442   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.144   0.858   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.358   0.061   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -6.347   1.072   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.764   0.488   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.967   0.702   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.977  -0.308   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.326   0.183   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.634   0.632   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -3.848   1.429   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1      -4.671   1.472   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.864   0.336   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.149   0.749   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.352   0.535   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.638   0.948   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.159   0.734   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.455  -0.036   0.000  1.00  0.00           N  
HETATM   18  N   UNL     1       1.278   0.007   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.492   0.804   0.000  1.00  0.00           C  
HETATM   20  S   UNL     1       0.800   1.254   0.000  1.00  0.00           S  
HETATM   21  N   UNL     1       2.289   1.018   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.872   0.434   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.669   0.648   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.253   0.065   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.039  -0.732   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.622  -1.316   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       5.419  -1.102   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.633  -0.305   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.049   0.278   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       6.430  -0.092   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       7.013  -0.675   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1       6.800  -1.472   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       7.728  -1.088   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       7.728  -0.263   0.000  1.00  0.00           F  
HETATM   35  O   UNL     1       2.659  -0.363   0.000  1.00  0.00           O  
CONECT    1    2                                                      
CONECT    2    1    3    4                                            
CONECT    3    2                                                      
CONECT    4    2    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    8   11                                            
CONECT    7    5                                                      
CONECT    8    6    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11                                                 
CONECT   11   10    6                                                 
CONECT   12    9   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   16                                                 
CONECT   21   19   22                                                 
CONECT   22   21   23   35                                            
CONECT   23   22   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28   24                                                 
CONECT   30   28   31                                                 
CONECT   31   30   32   33   34                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
CONECT   35   22                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D00KPQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.889   1.037   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.889   0.212   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.175  -0.200   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.460   0.212   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.460   1.037   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.175   1.450   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.746  -0.200   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.175  -1.025   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.889  -1.438   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.889  -2.263   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.175  -2.675   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.460  -2.263   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.460  -1.438   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.675  -2.518   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.191  -1.850   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.675  -1.183   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.366  -1.850   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.047  -2.565   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.872  -2.565   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.284  -1.850   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.872  -1.136   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.047  -1.136   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.109  -1.850   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.522  -2.565   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       2.109  -3.279   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.522  -3.994   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       3.347  -3.994   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       3.759  -3.279   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.347  -2.565   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -1.746   1.450   0.000  1.00  0.00           N  
HETATM   31  O   UNL     1      -1.031   0.212   0.000  1.00  0.00           O  
HETATM   32  N   UNL     1      -1.031   1.037   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1      -0.317   1.450   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.317   2.275   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.031   2.687   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.746   2.275   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       0.398   2.687   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       0.398   3.512   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.317   3.925   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.031   3.512   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       3.889  -4.639   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       1.112   3.925   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       1.937   3.925   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       1.525   4.639   0.000  1.00  0.00           C  
HETATM   45  O   UNL     1      -2.460   2.687   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   30                                            
CONECT    6    5    1                                                 
CONECT    7    4   31                                                 
CONECT    8    3    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    8   16                                            
CONECT   14   12   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   13                                                 
CONECT   17   15   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   20   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   41                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30    5   32   36                                            
CONECT   31    7                                                      
CONECT   32   30   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   37                                            
CONECT   35   34   36   40                                            
CONECT   36   35   30   45                                            
CONECT   37   34   38                                                 
CONECT   38   37   39   42                                            
CONECT   39   38   40                                                 
CONECT   40   39   35                                                 
CONECT   41   27                                                      
CONECT   42   38   43   44                                            
CONECT   43   42   44                                                 
CONECT   44   43   42                                                 
CONECT   45   36                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
M  END

$$$$
D00KTI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.513   0.598   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.513  -0.227   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.798  -0.640   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.084  -0.227   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.084   0.598   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.798   1.010   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.369   1.010   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.345   0.598   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -0.369   1.835   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.060   1.010   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.774   0.598   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.488   1.010   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.488   1.835   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.774   2.248   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.060   1.835   0.000  1.00  0.00           C  
HETATM   16  F   UNL     1       3.203   2.248   0.000  1.00  0.00           F  
HETATM   17 CL   UNL     1       3.203   0.598   0.000  1.00  0.00          Cl  
HETATM   18  N   UNL     1      -3.126  -0.779   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1      -2.790  -1.533   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.970  -1.447   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.203  -2.248   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4   20                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13                                                      
CONECT   17   12                                                      
CONECT   18    2   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19    3                                                 
CONECT   21   19                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D00KTN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.870  -0.468   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.585  -0.055   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.156  -0.055   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.156   0.770   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.870   1.182   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.585   0.770   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.441  -0.468   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.727  -0.055   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.727   0.770   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1      -0.012  -0.468   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.702  -0.055   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.417  -0.468   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.417  -1.293   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.131  -1.705   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.846  -1.293   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.846  -0.468   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.131  -0.055   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.131   0.770   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       3.560  -1.705   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1       4.275  -2.118   0.000  1.00  0.00           F  
HETATM   21  F   UNL     1       3.973  -0.991   0.000  1.00  0.00           F  
HETATM   22  F   UNL     1       3.148  -2.420   0.000  1.00  0.00           F  
HETATM   23  N   UNL     1      -4.198  -0.607   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.862  -1.361   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.042  -1.275   0.000  1.00  0.00           N  
HETATM   26  O   UNL     1      -4.275  -2.075   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       2.846   1.182   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.846   2.007   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.131   2.420   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.417   2.007   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.417   1.182   0.000  1.00  0.00           C  
CONECT    1    2    3   25                                            
CONECT    2    1    6   23                                            
CONECT    3    1    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    2                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   18                                            
CONECT   18   17   27   31                                            
CONECT   19   15   20   21   22                                       
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   19                                                      
CONECT   23    2   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24    1                                                 
CONECT   26   24                                                      
CONECT   27   18   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   18                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D00KXJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.814   0.535   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.600  -0.262   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.803  -0.475   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.220   0.108   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.433   0.905   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.230   1.118   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.423  -0.106   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -2.127  -0.876   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.303  -0.833   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.090  -0.036   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.782   0.414   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.825   1.237   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.320   0.260   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.784  -1.474   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.321  -0.259   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.092   0.036   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.733  -0.483   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.503  -0.187   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.144  -0.706   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.914  -0.411   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.043   0.404   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.402   0.923   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.632   0.628   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       4.814   0.700   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.191   1.075   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.133   1.687   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.176   2.511   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.911   2.885   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.603   2.436   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.560   1.612   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.080  -2.244   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.561  -2.885   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       0.254  -2.756   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       0.550  -1.986   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       0.031  -1.345   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11   13                                            
CONECT   11   10    7   12                                            
CONECT   12   11   26   30                                            
CONECT   13   10   15   25                                            
CONECT   14    9   31   35                                            
CONECT   15   13   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   21                                                      
CONECT   25   13                                                      
CONECT   26   12   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   12                                                 
CONECT   31   14   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   14                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D00LHT
  -OEChem-09301911232D

 46 48  0     0  0  0  0  0  0999 V2000
    8.2601    3.0202    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.8458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    3.0202    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2601    1.2882    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7601   -0.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7601   -0.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -3.3846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -3.3846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940    1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940    0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    3.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2601    3.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -2.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -2.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7601    2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7601    3.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202   -2.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7601    2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7601    3.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2601    3.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2367    1.5465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8382    2.2368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6820    2.2368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2835    1.5465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8382    0.0716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2367    0.7619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2835    0.7619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6820    0.0716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3677    3.6308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6775    3.2323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4501    4.4232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8956   -3.8862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916   -1.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -1.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -2.7142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7117   -2.7142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1098   -1.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3286   -1.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0701    1.6172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0701    4.4232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  2 17  1  0  0  0  0
  3 10  1  0  0  0  0
  4 20  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  8 38  1  0  0  0  0
  9 19  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 14  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 21 37  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 26  2  0  0  0  0
 24 45  1  0  0  0  0
 25 26  1  0  0  0  0
 25 46  1  0  0  0  0
M  END

$$$$
D00LLN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.300   0.000   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.888  -0.714   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.062  -0.714   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.650   0.000   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.062   0.714   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.888   0.714   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.825   0.000   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.412  -0.714   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.412  -0.714   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.825  -1.429   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.650  -1.429   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.062  -0.714   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.650   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.825   0.000   0.000  1.00  0.00           C  
HETATM   15  H   UNL     1       0.412  -2.143   0.000  1.00  0.00           H  
HETATM   16  C   UNL     1       2.888  -0.714   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       3.300   0.000   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       3.300  -1.429   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       2.888   0.714   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.412   0.714   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.412   0.714   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       0.825   1.429   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       0.412   2.143   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.412   2.143   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.825   1.429   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   20                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   10                                                      
CONECT   16   12   17   18                                            
CONECT   17   16   19                                                 
CONECT   18   16                                                      
CONECT   19   17                                                      
CONECT   20    7   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D00LMA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.061   2.352   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.061   1.527   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.775   1.114   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.490   1.527   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.490   2.352   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.775   2.764   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.775   0.289   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.061  -0.123   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.061  -0.948   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.775  -1.361   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.490  -0.948   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.490  -0.123   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.346   1.114   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.368   1.527   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.083   1.114   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.368   2.352   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.836   1.450   0.000  1.00  0.00           C  
HETATM   18  S   UNL     1      -2.388   0.837   0.000  1.00  0.00           S  
HETATM   19  C   UNL     1      -1.976   0.122   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.169   0.294   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.311  -0.631   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.775   3.589   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1       3.204  -1.361   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1      -3.118  -0.803   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1      -3.204  -1.623   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.451  -1.959   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.899  -1.346   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.280  -2.764   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1      -1.455  -2.764   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -2.280  -3.589   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -3.105  -2.764   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   22                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   23                                            
CONECT   12   11    7                                                 
CONECT   13    2   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   17   20                                            
CONECT   16   14                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   15                                                 
CONECT   21   19   24   27                                            
CONECT   22    6                                                      
CONECT   23   11                                                      
CONECT   24   21   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   21                                                 
CONECT   28   26   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END

$$$$

$$$$

$$$$
D00LSQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.412  -0.619   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       1.238  -0.619   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.412  -0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.412   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.412  -1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.302  -1.856   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.302  -2.681   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.412  -3.094   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.127  -2.681   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.127  -1.856   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.825   0.096   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.650   0.096   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.062  -0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.650  -1.333   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.825  -1.333   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.127   0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.127   1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.412   1.856   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.302   1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.302   0.619   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.650  -1.333   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.475  -1.333   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.888  -0.619   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.475   0.096   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.650   0.096   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       0.412   2.681   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       1.127   3.094   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.888  -0.619   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.888  -1.444   0.000  1.00  0.00           C  
CONECT    1    2    3    4    5                                       
CONECT    2    1   21   25                                            
CONECT    3    1   11   15                                            
CONECT    4    1   16   20                                            
CONECT    5    1    6   10                                            
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    3   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   28                                            
CONECT   14   13   15                                                 
CONECT   15   14    3                                                 
CONECT   16    4   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   26                                            
CONECT   19   18   20                                                 
CONECT   20   19    4                                                 
CONECT   21    2   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24    2                                                 
CONECT   26   18   27                                                 
CONECT   27   26                                                      
CONECT   28   13   29                                                 
CONECT   29   28                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D00LVD
  -OEChem-09301911222D

 74 78  0     1  0  0  0  0  0999 V2000
    2.0000   -0.5409    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1810    1.1817    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0310   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7631    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7093   -0.6953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8970    0.5000    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    9.2929   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8970   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    0.1636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -0.7024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2990   -4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7631   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8970   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4536   -0.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7631   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0310    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7631    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7093   -2.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0310   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0310   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4041   -0.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2474    0.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1650    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7631    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0199   -3.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1650   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2514    0.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0604   -0.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6291    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8970    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1650   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2990   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6291    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8970    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7631    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    0.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4329   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4329   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0310   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1650   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6291    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5814   -0.6341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4295    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6325    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9751    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3736    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4941   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2115   -0.9274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9934   -0.5307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5967    0.2512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8540    1.0789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1195    1.5578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6407    0.8232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4306   -3.4479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2126   -3.8446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6093   -3.0626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1225    1.5132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5212   -0.9094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1660    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3601    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2990   -1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1660    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3601    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9712    0.3329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8960   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8960   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2431   -5.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6416   -4.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8550   -4.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6280   -5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4750   -6.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9391    4.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1660    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3191    6.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 36  1  0  0  0  0
  2 36  1  0  0  0  0
  3 31  1  0  0  0  0
  3 39  1  0  0  0  0
  4 35  1  0  0  0  0
  4 41  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  5 14  1  0  0  0  0
  6 13  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  2  0  0  0  0
  8 15  1  0  0  0  0
  8 20  2  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 36  1  0  0  0  0
 10 28  2  0  0  0  0
 11 31  1  0  0  0  0
 11 38  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  2  0  0  0  0
 13 19  2  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 42  1  0  0  0  0
 15 18  1  0  0  0  0
 16 23  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 24  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 25  1  0  0  0  0
 19 20  1  0  0  0  0
 19 47  1  0  0  0  0
 20 26  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 27  2  0  0  0  0
 23 28  1  0  0  0  0
 24 29  2  0  0  0  0
 24 30  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
 26 31  2  0  0  0  0
 26 32  1  0  0  0  0
 27 57  1  0  0  0  0
 28 58  1  0  0  0  0
 29 33  1  0  0  0  0
 29 59  1  0  0  0  0
 30 34  2  0  0  0  0
 30 60  1  0  0  0  0
 32 37  2  0  0  0  0
 32 61  1  0  0  0  0
 33 35  2  0  0  0  0
 33 62  1  0  0  0  0
 34 35  1  0  0  0  0
 34 63  1  0  0  0  0
 36 64  1  0  0  0  0
 37 38  1  0  0  0  0
 37 65  1  0  0  0  0
 38 66  1  0  0  0  0
 39 40  1  0  0  0  0
 39 67  1  0  0  0  0
 39 68  1  0  0  0  0
 40 69  1  0  0  0  0
 40 70  1  0  0  0  0
 40 71  1  0  0  0  0
 41 72  1  0  0  0  0
 41 73  1  0  0  0  0
 41 74  1  0  0  0  0
M  END

$$$$
D00LWY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.669   0.463   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.669  -0.362   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.954  -0.774   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.240  -0.362   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.240   0.463   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.954   0.875   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.525   0.875   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.811   0.463   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.096   0.875   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.618   0.463   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.333   0.875   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.047   0.463   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.761   0.875   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.761   1.700   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.047   2.113   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.333   1.700   0.000  1.00  0.00           C  
HETATM   17  F   UNL     1      -1.525  -0.774   0.000  1.00  0.00           F  
HETATM   18  O   UNL     1      -1.525   1.700   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       0.618  -0.362   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.096   1.700   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.811   2.113   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.618   2.113   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.975   2.497   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       3.558   1.487   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       3.772   0.690   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.188   0.107   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.402  -0.690   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.199  -0.904   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.782  -0.320   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.569   0.477   0.000  1.00  0.00           C  
HETATM   31  S   UNL     1       4.412  -1.700   0.000  1.00  0.00           S  
HETATM   32  C   UNL     1       4.626  -2.497   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       3.615  -1.914   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1       5.209  -1.487   0.000  1.00  0.00           O  
HETATM   35  O   UNL     1      -4.384   2.113   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1      -4.384   1.288   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1      -3.559   1.288   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1      -4.384   0.463   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1      -5.209   1.288   0.000  1.00  0.00           F  
CONECT    1    2    6   35                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   17                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   18                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   20                                            
CONECT   10    9   11   19                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   23   24                                       
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    4                                                      
CONECT   18    7                                                      
CONECT   19   10                                                      
CONECT   20    9   21   22                                            
CONECT   21   20                                                      
CONECT   22   20                                                      
CONECT   23   14                                                      
CONECT   24   14   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   28   32   33   34                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
CONECT   35    1   36                                                 
CONECT   36   35   37   38   39                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   36                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D00MFW
  -OEChem-09301911122D

 44 47  0     0  0  0  0  0  0999 V2000
   11.2717    2.0309    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4037   -2.4730    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.2717    3.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2717   -1.9691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5357   -2.9696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2717    2.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2717    2.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9070   -1.6050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9003   -3.3409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6736   -0.4691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5396   -0.9691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0317   -1.0038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0075   -0.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0037   -1.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1377    0.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2717    1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1377   -0.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8076   -0.9691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9035   -0.4518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2716   -1.9763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1357   -2.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4057   -0.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4057    0.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8955   -2.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1434   -0.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2717   -0.9691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8036   -2.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2755   -0.9763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0317    1.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9377    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9377   -0.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8987    0.1682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1333   -3.0996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8687    0.8409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8860   -3.1410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1458    0.1404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3381   -2.3248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7398   -0.6642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0245    1.6855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6736    0.1509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4735    0.8638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4735   -0.8020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7348    3.3409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  1 16  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  2  0  0  0  0
  2  9  2  0  0  0  0
  2 20  1  0  0  0  0
  3 43  1  0  0  0  0
  4 26  2  0  0  0  0
  5 44  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 10 40  1  0  0  0  0
 11 22  2  0  0  0  0
 12 17  1  0  0  0  0
 12 31  2  0  0  0  0
 13 14  2  0  0  0  0
 13 19  1  0  0  0  0
 13 25  1  0  0  0  0
 14 21  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 29  1  0  0  0  0
 16 23  2  0  0  0  0
 17 26  1  0  0  0  0
 18 19  2  0  0  0  0
 18 27  1  0  0  0  0
 19 32  1  0  0  0  0
 20 21  2  0  0  0  0
 20 28  1  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 23 34  1  0  0  0  0
 24 27  2  0  0  0  0
 24 35  1  0  0  0  0
 25 28  2  0  0  0  0
 25 36  1  0  0  0  0
 27 37  1  0  0  0  0
 28 38  1  0  0  0  0
 29 30  2  0  0  0  0
 29 39  1  0  0  0  0
 30 31  1  0  0  0  0
 30 41  1  0  0  0  0
 31 42  1  0  0  0  0
M  END

$$$$
D00MGO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.023  -0.384   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.308   0.029   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.594  -0.384   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.121   0.029   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.835  -0.384   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       1.550   0.029   0.000  1.00  0.00           N  
HETATM    7  O   UNL     1       0.121   0.854   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       2.303  -0.306   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.855   0.306   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.443   1.021   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.636   0.850   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.698   1.806   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.146   2.419   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.339   2.247   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.084   1.463   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.558  -1.091   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.365  -1.263   0.000  1.00  0.00           C  
HETATM   18  S   UNL     1       2.146  -1.806   0.000  1.00  0.00           S  
HETATM   19  C   UNL     1       2.698  -2.419   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.452  -2.083   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.737   0.029   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.452  -0.384   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.452  -1.208   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.737  -1.621   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.023  -1.208   0.000  1.00  0.00           C  
CONECT    1    2   21   25                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    8   11                                            
CONECT    7    4                                                      
CONECT    8    6    9   16                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10    6   15                                            
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16    8   17   18                                            
CONECT   17   16   20                                                 
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   17                                                 
CONECT   21    1   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24    1                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END

$$$$

$$$$
D00MXR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.732   1.399   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.732   0.574   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.086   0.059   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.282   0.243   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.076   0.986   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.282   1.730   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.086   1.913   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.270  -0.745   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.058  -0.988   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.242  -1.792   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.637  -2.354   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.849  -2.110   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.665  -1.306   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.901   0.986   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.141   2.438   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1      -0.402   3.059   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.160   2.735   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -1.821  -3.158   0.000  1.00  0.00          Cl  
HETATM   19  C   UNL     1      -1.869   3.158   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       1.484   0.403   0.000  1.00  0.00           O  
HETATM   21  S   UNL     1       2.281   0.616   0.000  1.00  0.00           S  
HETATM   22  C   UNL     1      -2.446   1.811   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.160   1.399   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.160   0.574   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.446   0.161   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.068   1.413   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1       2.495  -0.180   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       3.078   0.830   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.875   0.161   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       3.875   0.616   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.661   1.413   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.875  -0.664   0.000  1.00  0.00           C  
CONECT    1    2    7   22                                            
CONECT    2    1    3   25                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   14                                            
CONECT    6    5    7   15                                            
CONECT    7    6    1   17                                            
CONECT    8    3    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   18                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    5   20                                                 
CONECT   15    6   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16    7   19                                            
CONECT   18   11                                                      
CONECT   19   17                                                      
CONECT   20   14   21                                                 
CONECT   21   20   26   27   28                                       
CONECT   22    1   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24    2                                                 
CONECT   26   21                                                      
CONECT   27   21                                                      
CONECT   28   21   30   31                                            
CONECT   29   24   32                                                 
CONECT   30   28   31                                                 
CONECT   31   30   28                                                 
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D00NCJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.428   2.213   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.428   1.389   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.714   0.976   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.001   1.389   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.001   2.213   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.714   2.626   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.143   0.976   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.143   0.151   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.428  -0.262   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.428  -1.087   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.714  -1.499   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.001  -1.087   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.001  -0.262   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.714   0.151   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.715   2.626   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.430   2.213   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       0.715   3.451   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.144   2.626   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.859   2.213   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.715  -1.499   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.715  -2.324   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.430  -2.736   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.144  -2.324   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.144  -1.499   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.430  -1.087   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.857  -0.262   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.572   0.151   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.286  -0.262   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.572   0.976   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.572   2.626   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       3.572   3.451   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       4.286   2.213   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       2.858  -2.736   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1       2.446  -3.451   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1       2.144  -2.324   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1       3.271  -2.022   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   15                                            
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7    9   26                                            
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   20                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    5   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   19                                                 
CONECT   19   18   30                                                 
CONECT   20   12   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   33                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26    8   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   19   31   32                                            
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   23   34   35   36                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D00NDF
  -OEChem-04152111352D

 14 13  0     1  0  0  0  0  0999 V2000
    2.5369    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7830   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0230   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4450    0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 14  1  0  0  0  0
  2  4  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
M  END

$$$$
D00NVU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.365  -0.164   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.365  -0.989   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.651  -1.401   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.936  -0.989   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.936  -0.164   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.651   0.249   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.151  -1.244   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.666  -0.576   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.151   0.091   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.159  -0.576   0.000  1.00  0.00           C  
HETATM   11  S   UNL     1       0.643  -1.244   0.000  1.00  0.00           S  
HETATM   12  C   UNL     1       1.428  -0.989   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.428  -0.164   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.643   0.091   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       2.095   0.321   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.880   0.066   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.365   0.734   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.880   1.401   0.000  1.00  0.00           C  
HETATM   19  S   UNL     1       2.095   1.146   0.000  1.00  0.00           S  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13   10                                                 
CONECT   15   13   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   15                                                 
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D00ODY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.129   0.420   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.332   0.633   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.749   0.050   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.048   0.264   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.763  -0.149   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.175   0.566   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.461   0.978   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       1.972   0.779   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       2.555   0.196   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.342  -0.601   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.925  -1.184   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.722  -0.971   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.936  -0.174   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.352   0.409   0.000  1.00  0.00           C  
HETATM   15  F   UNL     1       4.733   0.040   0.000  1.00  0.00           F  
HETATM   16  C   UNL     1       4.306  -1.554   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.770   0.939   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.462   0.490   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.248  -0.307   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.425  -0.350   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.813   1.763   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.548   2.138   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.240   1.688   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.197   0.864   0.000  1.00  0.00           C  
HETATM   25  H   UNL     1      -4.889   0.415   0.000  1.00  0.00           H  
HETATM   26  O   UNL     1      -1.332   1.458   0.000  1.00  0.00           O  
HETATM   27  F   UNL     1       2.712  -1.981   0.000  1.00  0.00           F  
HETATM   28  C   UNL     1       4.889  -2.138   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.889  -0.971   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.722  -2.138   0.000  1.00  0.00           C  
CONECT    1    2   17   20                                            
CONECT    2    1    3   26                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    7    8                                            
CONECT    7    6    4                                                 
CONECT    8    6    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   27                                            
CONECT   12   11   13   16                                            
CONECT   13   12   14   15                                            
CONECT   14   13    9                                                 
CONECT   15   13                                                      
CONECT   16   12   28   29   30                                       
CONECT   17    1   18   21                                            
CONECT   18   17   19   24                                            
CONECT   19   18   20                                                 
CONECT   20   19    1                                                 
CONECT   21   17   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   18   25                                            
CONECT   25   24                                                      
CONECT   26    2                                                      
CONECT   27   11                                                      
CONECT   28   16                                                      
CONECT   29   16                                                      
CONECT   30   16                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D00OLY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.465   0.516   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.465  -0.309   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.750  -0.722   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.036  -0.309   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.036   0.516   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.750   0.928   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.321   0.928   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.321   1.753   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.036   2.166   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.750   1.753   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.607   0.516   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.892   0.928   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.178   0.516   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.892   1.753   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1      -3.750  -1.547   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.178  -0.309   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.537  -0.722   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.251  -0.309   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.251   0.516   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.537   0.928   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.966  -0.722   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.966  -1.547   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.680  -1.959   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.395  -1.547   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.395  -0.722   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.680  -0.309   0.000  1.00  0.00           C  
HETATM   27  H   UNL     1       4.109  -0.309   0.000  1.00  0.00           H  
HETATM   28  O   UNL     1       3.750  -1.753   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       4.465  -2.166   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   15                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   10                                            
CONECT    7    5    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    6                                                 
CONECT   11    7   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   16   20                                            
CONECT   14   12                                                      
CONECT   15    3                                                      
CONECT   16   13   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   13                                                 
CONECT   21   18   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   28                                            
CONECT   25   24   26   27                                            
CONECT   26   25   21                                                 
CONECT   27   25                                                      
CONECT   28   24   29                                                 
CONECT   29   28                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D00ONN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.294  -0.370   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.294  -1.195   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.580  -1.607   0.000  1.00  0.00           N  
HETATM    4  N   UNL     1      -1.865  -1.195   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.865  -0.370   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.580   0.043   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.080  -1.450   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.596  -0.782   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.080  -0.115   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.580   0.868   0.000  1.00  0.00           N  
HETATM   11  H   UNL     1      -3.294   1.280   0.000  1.00  0.00           H  
HETATM   12  C   UNL     1      -1.865   1.280   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.825   0.670   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.041   0.925   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.041   1.750   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1      -0.825   2.005   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.310   1.337   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.627   0.440   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.627   2.234   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.540  -0.381   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.208  -0.866   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.961  -0.530   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.048   0.290   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.380   0.775   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.825  -2.234   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.629  -1.015   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       2.146  -1.680   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       3.294  -1.498   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1       3.112  -0.350   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8   25                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   13                                            
CONECT   10    6   11   12                                            
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13    9   14   17                                            
CONECT   14   13   15   18                                            
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   13                                                 
CONECT   18   14   20   24                                            
CONECT   19   15                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   26   21   23                                            
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
CONECT   25    7                                                      
CONECT   26   27   28   29   22                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D00OUG
  -OEChem-09301911232D

 30 32  0     0  0  0  0  0  0999 V2000
   10.3984    2.5223    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.0682   -0.9777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381   -1.0019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -0.9777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4597   -2.5223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    0.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022   -0.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    0.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    1.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003    1.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -1.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    1.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343   -0.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -0.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    0.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003    2.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663    0.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663    2.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323    1.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3198   -2.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323    2.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154    1.6769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665    0.8552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2634    2.3323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -0.0977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663    3.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693    0.7123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8603   -2.3161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  0  0  0  0
  3 30  1  0  0  0  0
  4 13  2  0  0  0  0
  5 20  2  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 22  1  0  0  0  0
 10 16  2  0  0  0  0
 10 17  1  0  0  0  0
 11 14  2  0  0  0  0
 11 20  1  0  0  0  0
 12 15  2  0  0  0  0
 12 23  1  0  0  0  0
 14 15  1  0  0  0  0
 15 24  1  0  0  0  0
 16 18  1  0  0  0  0
 16 25  1  0  0  0  0
 17 19  2  0  0  0  0
 17 26  1  0  0  0  0
 18 21  2  0  0  0  0
 18 27  1  0  0  0  0
 19 21  1  0  0  0  0
 19 28  1  0  0  0  0
 20 29  1  0  0  0  0
M  END

$$$$
D00OWF
  -OEChem-10101305032D

 28 30  0     0  0  0  0  0  0999 V2000
    2.6720   -0.0608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1767    0.8518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7040   -0.2724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6767   -0.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6767   -0.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9857    0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3677    0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0011    0.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -1.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3523    0.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3617   -1.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6493   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9712   -1.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3822   -1.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2991    1.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1767    1.4718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1901   -2.0592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1675    1.0881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1633   -2.0592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5581   -1.7254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7952   -1.7254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8909    1.2661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4839    2.0426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7073    1.6356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5408   -0.3847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5834   -1.2605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4592   -1.2180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 16  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 17  1  0  0  0  0
  3  8  2  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8 15  1  0  0  0  0
  9 13  2  0  0  0  0
  9 18  1  0  0  0  0
 10 12  2  0  0  0  0
 10 19  1  0  0  0  0
 11 14  2  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
M  END

$$$$
D00PES
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.776   0.908   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.776   0.084   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.062  -0.329   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.653   0.084   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.653   0.908   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.062   1.321   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.367   1.321   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.491  -0.329   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.205   0.084   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.920  -0.329   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.673   0.007   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.225  -0.607   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.813  -1.321   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.006  -1.149   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.082   0.908   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.796   1.321   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.511   0.908   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       4.225   1.321   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       3.511   0.084   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5   15                                                 
CONECT    8    2    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15    7   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17                                                      
CONECT   19   17                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D00PFD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.176   0.995   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.962   0.198   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.139   0.154   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.843   0.925   0.000  1.00  0.00           C  
HETATM    5  S   UNL     1      -2.484   1.444   0.000  1.00  0.00           S  
HETATM    6  N   UNL     1      -1.555  -0.429   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.820  -0.054   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.949   0.760   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.537   1.475   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.288   1.475   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.701   2.189   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.526   2.189   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.938   1.475   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.763   1.475   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       3.176   2.189   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       2.763   2.904   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.938   2.904   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       3.176   0.760   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       3.973   0.547   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.555  -1.254   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.841  -1.666   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.841  -2.491   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.126  -2.904   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.588  -2.491   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.588  -1.666   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.126  -1.254   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.973   1.208   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.023  -0.268   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.949   2.189   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       0.701   0.760   0.000  1.00  0.00           O  
HETATM   31 CL   UNL     1       1.303  -2.904   0.000  1.00  0.00          Cl  
CONECT    1    2    5   27                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5    8                                            
CONECT    5    4    1                                                 
CONECT    6    3    7   20                                            
CONECT    7    6    8   28                                            
CONECT    8    7    4    9                                            
CONECT    9    8   10   29                                            
CONECT   10    9   11   30                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   14   19                                                 
CONECT   19   18                                                      
CONECT   20    6   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   31                                            
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27    1                                                      
CONECT   28    7                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   24                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D00PFS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.266  -1.286   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.552  -0.873   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.837  -1.286   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.123  -0.873   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.123  -0.048   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.837   0.364   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.552  -0.048   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.408   0.364   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.389   0.151   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.602   0.948   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.195   1.161   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.317   1.360   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.031   0.948   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       1.317   2.185   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -3.981  -0.873   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.266  -2.111   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1      -4.067  -0.053   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -4.874   0.119   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.286  -0.596   0.000  1.00  0.00           C  
HETATM   20  S   UNL     1      -4.734  -1.209   0.000  1.00  0.00           S  
HETATM   21  S   UNL     1       2.117   0.127   0.000  1.00  0.00           S  
HETATM   22  C   UNL     1       2.924  -0.044   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.337   0.670   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.785   1.283   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.337  -0.759   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.162  -0.759   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.574  -0.044   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.162   0.670   0.000  1.00  0.00           C  
HETATM   29 CL   UNL     1       2.956   2.090   0.000  1.00  0.00          Cl  
HETATM   30  C   UNL     1       4.574  -1.473   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       3.862  -1.884   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       4.985  -2.185   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       5.286  -1.062   0.000  1.00  0.00           F  
CONECT    1    2   15   16                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    7                                                 
CONECT    7    6    2                                                 
CONECT    8    5    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10    8                                                 
CONECT   12   10   13   14                                            
CONECT   13   12   21   24                                            
CONECT   14   12                                                      
CONECT   15    1   17   20                                            
CONECT   16    1                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   13   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24   28                                            
CONECT   24   23   13   29                                            
CONECT   25   22   26                                                 
CONECT   26   30   25   27                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   24                                                      
CONECT   30   31   32   33   26                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D00PFT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215  -1.872   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215  -2.697   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.501  -3.110   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.786  -2.697   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.786  -1.872   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.501  -1.460   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.072  -3.110   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.357  -2.697   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.357  -3.110   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.072  -2.697   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.072  -1.872   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.357  -1.460   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.357  -1.872   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.501  -0.635   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.786  -0.222   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.786   0.603   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.501   1.015   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.215   0.603   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.215  -0.222   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.501   1.840   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.833   2.325   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.088   3.110   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.913   3.110   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.168   2.325   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.786  -1.460   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       1.786  -0.635   0.000  1.00  0.00           N  
HETATM   27  O   UNL     1       2.501  -1.872   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       2.501  -0.222   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.215  -0.635   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.501   0.603   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.072   1.017   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1      -0.247   1.017   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   14                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   25                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    6   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   31                                            
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   20                                                 
CONECT   25   11   26   27                                            
CONECT   26   25   28                                                 
CONECT   27   25                                                      
CONECT   28   26   29   30                                            
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   16   32                                                 
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D00PGP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.166   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.166   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.451  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.737   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.737   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.451   1.444   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.022  -0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.308   0.206   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.308   1.031   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       0.406  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.406  -1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.121  -1.444   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.835  -1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.835  -0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.121   0.206   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.550  -1.444   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1      -3.880   2.269   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.166   2.681   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.166   3.506   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.880   3.919   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -4.595   3.506   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.595   2.681   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.550  -2.269   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.264  -2.681   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.979  -2.269   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.979  -1.444   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.264  -1.031   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.264  -3.506   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.979  -3.919   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.693  -3.506   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.693  -2.681   0.000  1.00  0.00           C  
HETATM   32  S   UNL     1      -3.881   1.444   0.000  1.00  0.00           S  
HETATM   33  O   UNL     1      -4.163   0.668   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1      -4.693   1.587   0.000  1.00  0.00           O  
CONECT    1    2    6   32                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   23   27                                            
CONECT   17   18   22   32                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   16   24                                                 
CONECT   24   23   25   28                                            
CONECT   25   24   26   31                                            
CONECT   26   25   27                                                 
CONECT   27   26   16                                                 
CONECT   28   24   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   25                                                 
CONECT   32    1   17   33   34                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D00PHK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.291   2.538   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.291   1.713   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.576   1.300   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.862   1.713   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.862   2.538   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.576   2.950   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.576   3.775   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.862   4.188   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1      -4.291   4.188   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.147   2.950   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.433   2.538   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.718   2.950   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.035   2.615   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.588   3.228   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.175   3.942   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.632   3.771   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.249   1.818   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.046   1.604   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.629   2.188   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       1.259   0.807   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.676   0.224   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.889  -0.573   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       1.686  -0.786   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       2.270  -0.203   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.056   0.594   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.900  -1.583   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.317  -2.167   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.530  -2.964   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.327  -3.177   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.910  -2.594   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       2.697  -1.797   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       2.541  -3.974   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.337  -4.188   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.921  -3.604   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.707  -2.807   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.291  -2.224   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   10                                            
CONECT    6    5    1    7                                            
CONECT    7    6    8    9                                            
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    5   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   12                                                 
CONECT   17   13   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31   35                                            
CONECT   31   30   26                                                 
CONECT   32   29   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   30   36                                            
CONECT   36   35                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D00PJE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.206  -2.214   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.449  -1.887   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.354  -1.067   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.016  -0.575   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.773  -0.903   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.869  -1.722   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.532  -0.759   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.347   0.046   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.564   0.306   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.568   1.131   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.355   1.381   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.835   0.711   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.694   2.133   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.515   2.214   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.996   1.544   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.656   0.792   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.153  -0.102   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.865   0.314   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       0.861   1.139   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.144   1.548   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.560  -0.131   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.345   0.272   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.560  -0.956   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.488  -0.490   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.202  -0.903   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.060  -0.140   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.060  -0.965   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.774  -1.378   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.489  -0.965   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.489  -0.140   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.774   0.272   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.078  -0.140   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       5.202  -1.790   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       5.202  -0.965   0.000  1.00  0.00           O  
HETATM   35  O   UNL     1       4.488  -2.203   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   24                                            
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10   17                                            
CONECT   10    9   11   20                                            
CONECT   11   10   12   13                                            
CONECT   12   11    8   16                                            
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   12                                                 
CONECT   17    9   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   10                                                 
CONECT   21   18   22   23                                            
CONECT   22   21   26                                                 
CONECT   23   21                                                      
CONECT   24    5   25                                                 
CONECT   25   24                                                      
CONECT   26   22   27   31   32                                       
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32   33                                       
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   26   29                                                 
CONECT   33   29   34   35                                            
CONECT   34   33                                                      
CONECT   35   33                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D00PLP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.807  -0.742   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.092  -0.329   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.378  -0.742   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.337  -0.329   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1      -1.092   0.496   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1       1.051  -0.742   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.766  -0.329   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.766   0.496   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.051   0.908   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.337   0.496   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.480   0.908   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       2.480   1.733   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.195   2.146   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       3.909   1.733   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       2.480  -0.742   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.567  -1.562   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.373  -1.734   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       3.786  -1.019   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1       3.234  -0.406   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       3.447   0.391   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1       1.983  -2.146   0.000  1.00  0.00          Cl  
HETATM   22  C   UNL     1      -2.560  -0.406   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.112  -1.019   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.700  -1.734   0.000  1.00  0.00           C  
HETATM   25  S   UNL     1      -1.893  -1.562   0.000  1.00  0.00           S  
HETATM   26 BR   UNL     1      -3.909  -0.806   0.000  1.00  0.00          Br  
CONECT    1    2   22   25                                            
CONECT    2    1    3    5                                            
CONECT    3    2    4                                                 
CONECT    4    3    6   10                                            
CONECT    5    2                                                      
CONECT    6    4    7                                                 
CONECT    7    6    8   15                                            
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    8   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13                                                      
CONECT   15    7   16   19                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   15   20                                            
CONECT   20   19                                                      
CONECT   21   16                                                      
CONECT   22    1   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24    1                                                 
CONECT   26   23                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D00PVE
  -OEChem-09301911292D

 38 41  0     0  0  0  0  0  0999 V2000
    7.3244   -1.8437    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.3576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.7117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    1.1979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8210   -2.7117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8277   -0.9758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4144    2.7117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -0.3576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -0.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1923   -1.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    0.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    1.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0641    0.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0564   -1.8504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4564   -2.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282   -0.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9243   -1.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.9429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.2971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3891    0.2624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7909   -0.4274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7909    1.7816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3891    1.0918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0665    0.7696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0540   -2.4704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1485   -1.8023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9183   -2.6483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7643   -2.8785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4663   -0.0458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4601   -1.6658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1 12  1  0  0  0  0
  1 23  1  0  0  0  0
  2 13  1  0  0  0  0
  2 18  1  0  0  0  0
  3 14  1  0  0  0  0
  3 19  1  0  0  0  0
  4 15  1  0  0  0  0
  4 20  1  0  0  0  0
  7 20  2  0  0  0  0
  8 10  1  0  0  0  0
  8 15  2  0  0  0  0
  9 10  1  0  0  0  0
  9 17  2  0  0  0  0
  9 20  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 21  2  0  0  0  0
 12 22  2  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 21 24  1  0  0  0  0
 21 32  1  0  0  0  0
 22 25  1  0  0  0  0
 22 33  1  0  0  0  0
 23 34  1  0  0  0  0
 23 35  1  0  0  0  0
 23 36  1  0  0  0  0
 24 25  2  0  0  0  0
 24 37  1  0  0  0  0
 25 38  1  0  0  0  0
M  END

$$$$
D00PVH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.718   2.518   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.029   1.754   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.523   1.103   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.706   1.215   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.395   1.978   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.900   2.630   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       0.423   2.091   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.994   1.495   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.737   1.854   0.000  1.00  0.00           C  
HETATM   10  S   UNL     1       1.625   2.672   0.000  1.00  0.00           S  
HETATM   11  C   UNL     1       0.813   2.818   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.200   0.563   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.625   0.563   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.037  -0.152   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.702  -0.905   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.315  -1.457   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.029  -1.045   0.000  1.00  0.00           N  
HETATM   18  N   UNL     1       1.858  -0.238   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.105  -1.077   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.228  -2.278   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.657  -0.464   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.464  -0.635   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.719  -1.420   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.167  -2.033   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.360  -1.861   0.000  1.00  0.00           C  
HETATM   26 CL   UNL     1       0.192  -2.475   0.000  1.00  0.00          Cl  
HETATM   27 CL   UNL     1      -1.422  -2.818   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   12                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    7                                                 
CONECT   12    4   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16   19                                            
CONECT   16   15   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   14                                                 
CONECT   19   15   21   25                                            
CONECT   20   16                                                      
CONECT   21   19   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   19   26                                            
CONECT   26   25                                                      
CONECT   27   24                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D00PWQ
  -OEChem-10121500452D

 31 34  0     0  0  0  0  0  0999 V2000
    2.0000   -1.6049    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2364    2.5713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0343   -1.5050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6703    1.6703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2693   -0.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1703   -0.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5842   -0.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0468    0.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0561   -1.6817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0713   -0.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2938    0.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6703    1.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5498   -0.7607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5262   -2.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8238   -0.8066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2843    1.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9995   -1.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4909   -2.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8215   -0.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0533    0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6603    1.3732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4882    0.6195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4817   -1.9343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2619   -0.2116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9393    2.2289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8267   -3.1136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6789   -1.4094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4153    1.8168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1675   -3.0782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2744   -0.9307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6451    0.6933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 12  2  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 23  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8 12  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 13 17  2  0  0  0  0
 13 24  1  0  0  0  0
 14 18  2  0  0  0  0
 14 26  1  0  0  0  0
 15 19  1  0  0  0  0
 15 27  1  0  0  0  0
 16 20  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 18 29  1  0  0  0  0
 19 20  2  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
M  END

$$$$
D00QEZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.937   0.329   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.223   0.741   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.491   0.329   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       1.206   0.741   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       1.921   0.329   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       0.491  -0.496   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.652   0.741   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.865   1.538   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.689   1.581   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.985   0.811   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1      -2.344   0.292   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.139   2.273   0.000  1.00  0.00           C  
HETATM   13  F   UNL     1      -2.764   3.008   0.000  1.00  0.00           F  
HETATM   14  F   UNL     1      -3.962   2.230   0.000  1.00  0.00           F  
HETATM   15  F   UNL     1      -3.551   2.988   0.000  1.00  0.00           F  
HETATM   16  N   UNL     1      -2.344  -0.533   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.058  -0.946   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.058  -1.771   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.344  -2.183   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.629  -1.771   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.629  -0.946   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.344  -3.008   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.921  -0.496   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.635  -0.909   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.349  -0.496   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.349   0.329   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.635   0.741   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       3.962   0.881   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1       3.627   1.634   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       2.807   1.548   0.000  1.00  0.00           C  
CONECT    1    2    7                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4   23   27                                            
CONECT    6    3                                                      
CONECT    7    1    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11                                                 
CONECT   11   10    7   16                                            
CONECT   12    9   13   14   15                                       
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15   12                                                      
CONECT   16   11   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   19                                                      
CONECT   23    5   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26    5   30                                            
CONECT   28   26   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   27                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D00QJA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.365   1.593   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.365   0.768   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.650   0.356   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.936   0.768   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.936   1.593   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.650   2.006   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.221   2.006   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.221   0.356   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.221  -0.469   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.507  -0.882   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.507  -1.707   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.207  -2.119   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.922  -1.707   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.922  -0.882   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.207  -0.469   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.507   1.593   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.207   2.006   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.207   2.831   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.507   3.243   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.221   2.831   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.922   3.243   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.637   2.831   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1       0.922   4.068   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       1.637  -2.119   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.637  -2.944   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.351  -3.357   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.065  -2.944   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.065  -2.119   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.351  -1.707   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.351   3.243   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.065   2.831   0.000  1.00  0.00           C  
HETATM   32 CL   UNL     1       0.207  -2.944   0.000  1.00  0.00          Cl  
HETATM   33  C   UNL     1       2.351  -0.882   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.507   0.768   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.778   3.245   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1       3.778   4.070   0.000  1.00  0.00           O  
HETATM   37  O   UNL     1       4.492   2.832   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1       3.778  -3.355   0.000  1.00  0.00           C  
HETATM   39  F   UNL     1       3.365  -4.070   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1       3.063  -2.943   0.000  1.00  0.00           F  
HETATM   41  F   UNL     1       4.190  -2.641   0.000  1.00  0.00           F  
HETATM   42  C   UNL     1      -4.080   2.007   0.000  1.00  0.00           C  
HETATM   43  F   UNL     1      -3.667   2.722   0.000  1.00  0.00           F  
HETATM   44  F   UNL     1      -3.365   1.595   0.000  1.00  0.00           F  
HETATM   45  F   UNL     1      -4.492   1.293   0.000  1.00  0.00           F  
CONECT    1    2    6   42                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5   16   20                                            
CONECT    8    4    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   32                                            
CONECT   13   12   14   24                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    7   17   34                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19    7                                                 
CONECT   21   18   22   23                                            
CONECT   22   21   30                                                 
CONECT   23   21                                                      
CONECT   24   13   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   38                                            
CONECT   28   27   29                                                 
CONECT   29   28   24   33                                            
CONECT   30   22   31                                                 
CONECT   31   30   35                                                 
CONECT   32   12                                                      
CONECT   33   29                                                      
CONECT   34   16                                                      
CONECT   35   31   36   37                                            
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   27   39   40   41                                       
CONECT   39   38                                                      
CONECT   40   38                                                      
CONECT   41   38                                                      
CONECT   42    1   43   44   45                                       
CONECT   43   42                                                      
CONECT   44   42                                                      
CONECT   45   42                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
M  END

$$$$
D00QNV
  -OEChem-09301911122D

 57 59  0     1  0  0  0  0  0999 V2000
    2.5369    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6793    2.3047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6793    0.6953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030    2.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9900    3.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2629    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9685    3.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3221    3.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0135    3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6150    4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1826    3.8446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0930    1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130   -0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8469    4.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2269    3.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8829    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0963    2.8548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5751    3.5893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8406    4.0681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7836    4.4136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9081    4.4610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8607    3.5855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890   -0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905   -1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 43  1  0  0  0  0
  9  2  1  6  0  0  0
  2 15  1  0  0  0  0
  2 35  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  3 20  1  0  0  0  0
  4 14  2  0  0  0  0
  4 15  1  0  0  0  0
  5 15  2  0  0  0  0
  5 19  1  0  0  0  0
  6 17  1  0  0  0  0
  6 20  2  0  0  0  0
  7 19  1  0  0  0  0
  7 23  1  0  0  0  0
  7 51  1  0  0  0  0
  8 26  1  0  0  0  0
  8 28  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 29  1  0  0  0  0
 10 12  1  0  0  0  0
 10 30  1  0  0  0  0
 11 16  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 18  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 36  1  0  0  0  0
 14 17  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 19  2  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 20 44  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 24  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 54  1  0  0  0  0
 26 55  1  0  0  0  0
 27 28  1  0  0  0  0
 27 56  1  0  0  0  0
 28 57  1  0  0  0  0
M  END

$$$$
D00QVY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072   0.412   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.072   1.238   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.357   0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.357  -1.238   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.501  -1.238   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.072   0.000   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.786   0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.501   0.000   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    5   11                                                 
CONECT    9    4                                                      
CONECT   10    2                                                      
CONECT   11    8   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12                                                      
MASTER        0    0    0    0    0    0    0    0   13    0   13    0
END
M  END

$$$$
D00RDL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.659  -1.556   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.484  -1.556   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.897  -0.841   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.484  -0.127   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.659  -0.127   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.247  -0.841   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.897   0.588   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.722   0.588   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.134   1.302   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.722   2.017   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.897   2.017   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.484   1.302   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.247   0.588   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.578   0.588   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.991  -0.127   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.991   1.302   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.705   1.715   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.420   1.302   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.420   0.477   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1      -3.134   1.715   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.038   2.200   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.293   2.984   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.118   2.984   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.373   2.200   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.247  -2.270   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1      -0.578  -2.270   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1       0.659  -2.984   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -0.337  -2.853   0.000  1.00  0.00           F  
CONECT    1    2    6   25                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   13                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    5   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18   21   24                                       
CONECT   18   17   19   20                                            
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   17   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   17                                                 
CONECT   25    1   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D00RJA
  -OEChem-10101305032D

 57 58  0     1  0  0  0  0  0999 V2000
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   12.3923    2.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.3923    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1244    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8554    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7817    1.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1803    0.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6569    3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8598    3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9483    0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5683    1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
  1 19  1  0  0  0  0
  2 19  2  0  0  0  0
  3 23  2  0  0  0  0
  4 28  1  0  0  0  0
  4 32  1  0  0  0  0
 10  5  1  1  0  0  0
  5 19  1  0  0  0  0
  5 37  1  0  0  0  0
  6 18  1  0  0  0  0
  6 23  1  0  0  0  0
  6 50  1  0  0  0  0
  7 23  1  0  0  0  0
  7 25  1  0  0  0  0
  7 51  1  0  0  0  0
  8 24  3  0  0  0  0
  9 31  3  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 33  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 34  1  0  0  0  0
 13 21  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 18  1  0  0  0  0
 15 41  1  0  0  0  0
 16 20  2  0  0  0  0
 16 42  1  0  0  0  0
 17 24  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 22  2  0  0  0  0
 20 22  1  0  0  0  0
 20 48  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 49  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 52  1  0  0  0  0
 27 30  2  0  0  0  0
 27 53  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 54  1  0  0  0  0
 32 55  1  0  0  0  0
 32 56  1  0  0  0  0
 32 57  1  0  0  0  0
M  END

$$$$
D00RKV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.951  -0.595   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.951  -1.420   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.236  -1.832   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.478  -1.420   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.478  -0.595   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.236  -0.183   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.192  -1.832   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       1.906  -1.420   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       2.621  -1.832   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       1.192  -2.657   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       2.621  -2.657   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       3.335  -3.070   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       4.049  -2.657   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.049  -1.832   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.335  -1.420   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.665  -0.183   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1      -1.751   0.638   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.558   0.809   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.970   0.095   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.419  -0.518   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.894   1.562   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.409   2.230   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.744   2.983   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.564   3.070   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.049   2.402   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.714   1.649   0.000  1.00  0.00           C  
CONECT    1    2    6   16                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8   11   15                                            
CONECT   10    7                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    9                                                 
CONECT   16    1   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   16                                                 
CONECT   21   18   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D00RNS
  -OEChem-09301911142D

 54 55  0     0  0  0  0  0  0999 V2000
    7.1962    7.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -6.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -5.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -3.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -4.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -5.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -6.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -4.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -3.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -6.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -7.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -8.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -8.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -7.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -6.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    4.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    4.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 22  2  0  0  0  0
  3 13  2  0  0  0  0
  4 24  2  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 13  1  0  0  0  0
  6 16  1  0  0  0  0
  6 44  1  0  0  0  0
  7 19  1  0  0  0  0
  7 22  1  0  0  0  0
  7 49  1  0  0  0  0
  8 22  1  0  0  0  0
  8 24  1  0  0  0  0
  8 50  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 12  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 45  1  0  0  0  0
 18 21  2  0  0  0  0
 18 46  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 47  1  0  0  0  0
 21 48  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 51  1  0  0  0  0
 26 28  2  0  0  0  0
 26 52  1  0  0  0  0
 27 29  2  0  0  0  0
 27 53  1  0  0  0  0
 28 29  1  0  0  0  0
 28 54  1  0  0  0  0
M  END

$$$$
D00RRB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215   0.825   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.786  -0.825   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.072  -0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.072   0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.786   0.825   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.786   1.650   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.357   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.357   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.072   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.072   1.650   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.357   2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.357   1.650   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.786   2.062   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       1.786   0.412   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       2.501   1.650   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.215   2.062   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.930   1.650   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.644   2.062   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.930   0.825   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.786  -0.412   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.501  -0.825   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.501  -1.650   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.215  -2.062   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.786  -2.062   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.215   1.650   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -3.927   2.061   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1      -4.644  -0.825   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.644  -1.647   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2   32    1    3                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6   30    5    1                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    9   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   20                                                 
CONECT   19   14   25                                                 
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25   19   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   31    6                                                 
CONECT   31   30                                                      
CONECT   32   33    2                                                 
CONECT   33   32                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D00RUE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.813   0.678   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.813  -0.147   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.098  -0.559   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.384  -0.147   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.384   0.678   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.098   1.091   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -3.670   1.091   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1      -2.955   0.678   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.955  -0.147   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.241  -0.559   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.526  -0.147   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.526   0.678   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.241   1.091   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.742  -0.402   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.257   0.266   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.742   0.933   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.568   0.266   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.981  -0.449   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.806  -0.449   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.218   0.266   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.806   0.980   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.981   0.980   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       2.218   1.695   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       1.806   2.409   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       3.043   0.266   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       3.456  -0.449   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.281  -0.449   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       4.693  -1.163   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       4.480  -1.960   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.172  -2.409   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.813  -1.890   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.517  -1.120   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1      -0.487   1.718   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13   16                                            
CONECT   13   12    8                                                 
CONECT   14   11   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   12   33                                            
CONECT   17   15   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22   23                                            
CONECT   22   21   17                                                 
CONECT   23   21   24                                                 
CONECT   24   23                                                      
CONECT   25   20   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   32                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   28                                                 
CONECT   33   16                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D00SAH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.904   1.484   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.904   0.659   0.000  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.119   0.404   0.000  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.634   1.072   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.119   1.739   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.809   1.072   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.397   0.357   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.397   1.786   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       0.428   0.357   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.841  -0.357   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.428  -1.072   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.666  -0.357   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.841  -1.786   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.397  -1.072   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.079   0.357   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       2.904   0.357   0.000  1.00  0.00           O  
CONECT    1    2    5                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    1                                                 
CONECT    6    4    7    8                                            
CONECT    7    6    9                                                 
CONECT    8    6                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10   13   14                                            
CONECT   12   10   15                                                 
CONECT   13   11                                                      
CONECT   14   11                                                      
CONECT   15   12   16                                                 
CONECT   16   15                                                      
MASTER        0    0    0    0    0    0    0    0   16    0   16    0
END
M  END

$$$$
D00SAR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.740   0.901   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.740   0.076   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.565   0.076   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.565   0.901   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.156   1.484   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.148   1.484   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.148  -0.507   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.156  -0.507   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.370   2.281   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.214   2.865   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.010   2.651   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.224   1.854   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.641   1.271   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       2.942   1.271   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1       1.935   2.278   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.641  -0.721   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.053  -1.435   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.878  -1.435   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.291  -2.150   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.878  -2.865   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.053  -2.865   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.641  -2.150   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.291  -0.721   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.116  -0.721   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.528  -1.435   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.116  -2.150   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.934  -1.304   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.518  -1.888   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.315  -1.674   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.528  -0.877   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.945  -0.294   0.000  1.00  0.00           C  
CONECT    1    2    4    5                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4    7                                            
CONECT    4    3    1    6                                            
CONECT    5    1    9   13                                            
CONECT    6    4   14   15                                            
CONECT    7    3   27   31                                            
CONECT    8    2   16                                                 
CONECT    9    5   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    5                                                 
CONECT   14    6                                                      
CONECT   15    6                                                      
CONECT   16    8   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19   23                                            
CONECT   19   18   20   26                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   18   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   19                                                 
CONECT   27    7   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30    7                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D00SDR
  -OEChem-09301911282D

 32 34  0     0  0  0  0  0  0999 V2000
    2.8660    0.2327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561    1.7673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.2119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9446   -1.3019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    1.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979    1.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4779   -1.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041   -1.6057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.2696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.8043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 19  1  0  0  0  0
  2  9  1  0  0  0  0
  2 18  2  0  0  0  0
  3 14  2  0  0  0  0
  3 18  1  0  0  0  0
  4 14  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  5 10  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 14  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 15  1  0  0  0  0
 12 23  1  0  0  0  0
 13 16  2  0  0  0  0
 13 24  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
 18 27  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END

$$$$
D00SLD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.752   1.214   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.752   0.389   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.037  -0.023   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.323   0.389   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.323   1.214   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.037   1.627   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.608  -0.023   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.608  -0.848   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.894  -1.261   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.179  -0.848   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.179  -0.023   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.894   0.389   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.465  -1.261   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.250  -0.848   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.250  -0.023   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.465   0.389   0.000  1.00  0.00           C  
HETATM   17  H   UNL     1      -2.608   0.802   0.000  1.00  0.00           H  
HETATM   18  H   UNL     1      -1.179  -1.673   0.000  1.00  0.00           H  
HETATM   19  C   UNL     1       0.964  -1.261   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.679  -0.848   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       0.964  -2.086   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       2.432  -1.184   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.984  -0.571   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.687  -1.968   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.494  -2.140   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.046  -1.527   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       3.791  -0.742   0.000  1.00  0.00           N  
HETATM   28  N   UNL     1       4.853  -1.698   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1       5.189  -2.452   0.000  1.00  0.00           N  
HETATM   30  N   UNL     1       6.009  -2.366   0.000  1.00  0.00           N  
HETATM   31  N   UNL     1       6.181  -1.559   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       5.466  -1.146   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.466   1.627   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1      -6.181   1.214   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1      -6.181   0.389   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.466  -0.023   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1      -5.466   2.452   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1       1.892  -0.051   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       2.689   0.162   0.000  1.00  0.00           C  
CONECT    1    2    6   33                                            
CONECT    2    1    3   36                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   12   17                                       
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13   18                                       
CONECT   11   10   12   16                                            
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    7                                                      
CONECT   18   10                                                      
CONECT   19   14   20   21                                            
CONECT   20   19   22   38                                            
CONECT   21   19                                                      
CONECT   22   20   23   24                                            
CONECT   23   22   27   39                                            
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   23                                                 
CONECT   28   26   29   32                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   28                                                 
CONECT   33    1   34   37                                            
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35    2                                                 
CONECT   37   33                                                      
CONECT   38   20   39                                                 
CONECT   39   38   23                                                 
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D00SUC
  -OEChem-09301911102D

 38 40  0     0  0  0  0  0  0999 V2000
   10.9055   -1.0974    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3582   -1.6644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891   -1.9734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0524   -2.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1013   -2.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2603   -1.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071   -1.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7955   -2.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2113   -0.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5171   -0.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -2.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7465   -2.3846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9545   -1.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -2.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6127   -2.7152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3924   -2.8809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6666   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3402   -0.1308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9320    0.0836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0564    0.0377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1023   -0.8379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625   -3.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2073   -2.7994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.1956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7336   -3.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.4244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.9244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3 24  1  0  0  0  0
  3 38  1  0  0  0  0
  4 24  2  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  6 20  2  0  0  0  0
  7 13  2  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 12 27  1  0  0  0  0
 13 19  1  0  0  0  0
 14 18  2  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 20  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 19 21  2  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  END

$$$$
D00SVK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143  -2.601   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -3.426   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -3.839   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715  -3.426   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715  -2.601   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429  -2.189   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.756  -3.978   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -2.421  -4.732   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.601  -4.646   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.429  -1.364   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.143  -0.951   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.143  -0.126   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.858  -1.364   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1      -1.476   0.359   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.731   1.143   0.000  1.00  0.00           C  
HETATM   16  S   UNL     1      -2.556   1.143   0.000  1.00  0.00           S  
HETATM   17  C   UNL     1      -2.811   0.359   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.246   1.811   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.421   1.811   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1      -0.166   2.595   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.834   3.080   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.501   2.595   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.000  -2.189   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.715  -2.601   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.429  -2.189   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.429  -1.364   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.715  -0.951   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.000  -1.364   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.143  -0.951   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.715  -3.426   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       2.858  -1.364   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1      -0.835   3.907   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1      -1.659   3.907   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -0.835   4.732   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -0.009   3.907   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   23                                            
CONECT    6    5    1   10                                            
CONECT    7    2    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    3                                                 
CONECT   10    6   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11   14   17                                            
CONECT   13   11                                                      
CONECT   14   12   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   32                                            
CONECT   22   21   18                                                 
CONECT   23    5   24   28                                            
CONECT   24   23   25   30                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   26   31                                                 
CONECT   30   24                                                      
CONECT   31   29                                                      
CONECT   32   21   33   34   35                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END

$$$$

$$$$

$$$$
D00SZR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.226  -1.984   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.226  -2.809   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.511  -3.221   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.797  -2.809   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.797  -1.984   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.511  -1.571   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.511  -0.746   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.940  -3.221   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.797  -0.334   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.797   0.491   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.082   0.904   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.082   1.729   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.797   2.141   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.511   1.729   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.511   0.904   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.298   0.649   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.187   1.316   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.298   1.984   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.298   2.809   0.000  1.00  0.00           C  
HETATM   20  H   UNL     1      -1.082   0.079   0.000  1.00  0.00           H  
HETATM   21  C   UNL     1      -1.012   3.221   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.417   3.221   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.131   2.809   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.846   3.221   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.996   2.549   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.560   2.809   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -1.082  -3.221   0.000  1.00  0.00           F  
HETATM   28  C   UNL     1      -1.082  -1.571   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.346   2.012   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       3.143   2.225   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       3.357   3.022   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.930   1.428   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.940   2.439   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   27                                            
CONECT    5    4    6   28                                            
CONECT    6    5    1    7                                            
CONECT    7    6    9                                                 
CONECT    8    2                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12   16   20                                       
CONECT   12   11   13   18   25                                       
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   11   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   12   19                                            
CONECT   19   18   21   22                                            
CONECT   20   11                                                      
CONECT   21   19                                                      
CONECT   22   19   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   26                                                 
CONECT   25   12                                                      
CONECT   26   24   29   30   31                                       
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29   26   32                                                 
CONECT   30   26                                                      
CONECT   31   26   33                                                 
CONECT   32   29                                                      
CONECT   33   31                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D00TBI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.614   1.487   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.614   0.662   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.900   0.249   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.185   0.662   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.185   1.487   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.900   1.899   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.529   0.249   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.615  -0.571   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.422  -0.743   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.835  -0.028   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.283   0.585   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.002  -1.123   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.782  -0.868   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.396  -1.420   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.224  -2.227   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.440  -2.482   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.174  -1.930   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1       0.958  -2.185   0.000  1.00  0.00          Cl  
HETATM   19  C   UNL     1       1.454   1.392   0.000  1.00  0.00           C  
HETATM   20 CL   UNL     1      -1.837  -2.779   0.000  1.00  0.00          Cl  
HETATM   21  C   UNL     1       2.655   0.058   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.329   1.899   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.043   2.312   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.758   2.724   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       3.140  -0.610   0.000  1.00  0.00           N  
HETATM   26  O   UNL     1       2.991   0.811   0.000  1.00  0.00           O  
HETATM   27  N   UNL     1       3.965  -0.610   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       2.765  -1.345   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.378  -1.324   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.203  -1.324   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.615  -0.610   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.203   0.105   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.378   0.105   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1      -3.965   2.779   0.000  1.00  0.00           N  
HETATM   35  N   UNL     1      -4.790   2.779   0.000  1.00  0.00           N1+
HETATM   36  N   UNL     1      -5.615   2.779   0.000  1.00  0.00           N1-
CONECT    1    2    6   22                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   21                                            
CONECT   11   10    7   19                                            
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   18                                            
CONECT   18   17                                                      
CONECT   19   11                                                      
CONECT   20   15                                                      
CONECT   21   10   25   26                                            
CONECT   22    1   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   34                                                 
CONECT   25   21   27   28                                            
CONECT   26   21                                                      
CONECT   27   25   29   33                                            
CONECT   28   25                                                      
CONECT   29   27   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   27                                                 
CONECT   34   24   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D00TCL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.077  -2.640   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.789  -3.051   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.501  -2.640   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.213  -3.051   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.925  -2.640   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.637  -3.051   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.349  -2.640   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.061  -3.051   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -5.077  -1.818   0.000  1.00  0.00           O  
HETATM   10  C   ACE A   0      -4.365  -3.051   0.000  1.00  0.00           C  
HETATM   11  CB  UNL     1      -2.941  -3.873   0.000  1.00  0.00           C  
HETATM   12  CA  UNL     1      -2.941  -3.051   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.229  -2.640   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.653  -2.640   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1      -2.229  -1.818   0.000  1.00  0.00           O  
HETATM   16  CG  UNL     1      -3.653  -4.284   0.000  1.00  0.00           C  
HETATM   17  CD  UNL     1      -3.653  -5.106   0.000  1.00  0.00           C  
HETATM   18  OE2 UNL     1      -2.941  -5.517   0.000  1.00  0.00           O  
HETATM   19  OE1 UNL     1      -4.365  -5.517   0.000  1.00  0.00           O  
HETATM   20  CB  UNL     1      -0.805  -1.818   0.000  1.00  0.00           C  
HETATM   21  CA  UNL     1      -0.805  -2.640   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.093  -3.051   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.517  -3.051   0.000  1.00  0.00           N  
HETATM   24  O   UNL     1      -0.093  -3.873   0.000  1.00  0.00           O  
HETATM   25  OG1 UNL     1      -0.093  -1.407   0.000  1.00  0.00           O  
HETATM   26  CG2 UNL     1      -1.517  -1.407   0.000  1.00  0.00           C  
HETATM   27  HA  UNL     1      -0.805  -3.462   0.000  1.00  0.00           H  
HETATM   28  CB  UNL     1       1.331  -3.873   0.000  1.00  0.00           C  
HETATM   29  CA  UNL     1       1.331  -3.051   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.043  -2.640   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       0.619  -2.640   0.000  1.00  0.00           N  
HETATM   32  O   UNL     1       2.043  -1.818   0.000  1.00  0.00           O  
HETATM   33  CB  UNL     1       3.467  -1.818   0.000  1.00  0.00           C  
HETATM   34  CA  UNL     1       3.467  -2.640   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.179  -3.051   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1       2.755  -3.051   0.000  1.00  0.00           N  
HETATM   37  O   UNL     1       4.179  -3.873   0.000  1.00  0.00           O  
HETATM   38  O   UNL     1       4.179  -1.407   0.000  1.00  0.00           O  
HETATM   39  CB  UNL     1       5.603  -3.873   0.000  1.00  0.00           C  
HETATM   40  CA  UNL     1       5.603  -3.051   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       6.315  -2.640   0.000  1.00  0.00           C  
HETATM   42  N   UNL     1       4.891  -2.640   0.000  1.00  0.00           N  
HETATM   43  O   UNL     1       6.315  -1.818   0.000  1.00  0.00           O  
HETATM   44  CG2 UNL     1       4.891  -4.284   0.000  1.00  0.00           C  
HETATM   45  CG1 UNL     1       6.315  -4.284   0.000  1.00  0.00           C  
HETATM   46  CD1 UNL     1       6.315  -5.106   0.000  1.00  0.00           C  
HETATM   47  HA  UNL     1       5.603  -2.229   0.000  1.00  0.00           H  
HETATM   48  C   UNL     1       7.949  -1.912   0.000  1.00  0.00           C  
HETATM   49  N   UNL     1       7.027  -3.051   0.000  1.00  0.00           N  
HETATM   50  CA  UNL     1       7.778  -2.716   0.000  1.00  0.00           C  
HETATM   51  CB  UNL     1       8.328  -3.327   0.000  1.00  0.00           C  
HETATM   52  CG  UNL     1       7.917  -4.039   0.000  1.00  0.00           C  
HETATM   53  CD  UNL     1       7.113  -3.868   0.000  1.00  0.00           C  
HETATM   54  O   UNL     1       7.338  -1.362   0.000  1.00  0.00           O  
HETATM   55  C   UNL     1       8.502  -0.211   0.000  1.00  0.00           C  
HETATM   56  N   UNL     1       8.731  -1.658   0.000  1.00  0.00           N  
HETATM   57  CA  UNL     1       8.985  -0.876   0.000  1.00  0.00           C  
HETATM   58  CB  UNL     1       9.807  -0.876   0.000  1.00  0.00           C  
HETATM   59  CG  UNL     1      10.061  -1.658   0.000  1.00  0.00           C  
HETATM   60  CD  UNL     1       9.396  -2.141   0.000  1.00  0.00           C  
HETATM   61  O   UNL     1       8.836   0.540   0.000  1.00  0.00           O  
HETATM   62  CB  UNL     1       7.535   1.119   0.000  1.00  0.00           C  
HETATM   63  CA  UNL     1       7.201   0.368   0.000  1.00  0.00           C  
HETATM   64  C   UNL     1       6.383   0.282   0.000  1.00  0.00           C  
HETATM   65  N   UNL     1       7.684  -0.297   0.000  1.00  0.00           N  
HETATM   66  O   UNL     1       6.049  -0.469   0.000  1.00  0.00           O  
HETATM   67  CG  UNL     1       8.353   1.205   0.000  1.00  0.00           C  
HETATM   68  CD  UNL     1       8.687   1.956   0.000  1.00  0.00           C  
HETATM   69  OE1 UNL     1       9.505   2.042   0.000  1.00  0.00           O  
HETATM   70  NE2 UNL     1       8.204   2.621   0.000  1.00  0.00           N  
HETATM   71  CB  UNL     1       4.748   0.110   0.000  1.00  0.00           C  
HETATM   72  CA  UNL     1       5.082   0.861   0.000  1.00  0.00           C  
HETATM   73  C   UNL     1       4.599   1.526   0.000  1.00  0.00           C  
HETATM   74  N   UNL     1       5.900   0.947   0.000  1.00  0.00           N  
HETATM   75  O   UNL     1       4.933   2.277   0.000  1.00  0.00           O  
HETATM   76  CG  UNL     1       3.930   0.024   0.000  1.00  0.00           C  
HETATM   77  CD  UNL     1       3.596  -0.727   0.000  1.00  0.00           C  
HETATM   78  CE  UNL     1       2.778  -0.813   0.000  1.00  0.00           C  
HETATM   79  NZ  UNL     1       2.444  -1.564   0.000  1.00  0.00           N  
HETATM   80  CB  UNL     1       3.632   2.857   0.000  1.00  0.00           C  
HETATM   81  CA  UNL     1       3.298   2.106   0.000  1.00  0.00           C  
HETATM   82  C   UNL     1       2.480   2.020   0.000  1.00  0.00           C  
HETATM   83  N   UNL     1       3.781   1.440   0.000  1.00  0.00           N  
HETATM   84  O   UNL     1       1.997   2.685   0.000  1.00  0.00           O  
HETATM   85  CG  UNL     1       3.149   3.522   0.000  1.00  0.00           C  
HETATM   86  CD1 UNL     1       2.332   3.436   0.000  1.00  0.00           C  
HETATM   87  CE1 UNL     1       1.848   4.101   0.000  1.00  0.00           C  
HETATM   88  CZ  UNL     1       2.183   4.852   0.000  1.00  0.00           C  
HETATM   89  CE2 UNL     1       3.000   4.938   0.000  1.00  0.00           C  
HETATM   90  CD2 UNL     1       3.484   4.273   0.000  1.00  0.00           C  
HETATM   91  OH  UNL     1       1.700   5.517   0.000  1.00  0.00           O  
CONECT    1    2    9   10                                            
CONECT    2    3    1                                                 
CONECT    3    4    2                                                 
CONECT    4    5    3                                                 
CONECT    5    6    4                                                 
CONECT    6    7    5                                                 
CONECT    7    8    6                                                 
CONECT    8    7                                                      
CONECT    9    1                                                      
CONECT   10   14    1                                                 
CONECT   11   16   12                                                 
CONECT   12   13   14   11                                            
CONECT   13   23   15   12                                            
CONECT   14   12   10                                                 
CONECT   15   13                                                      
CONECT   16   17   11                                                 
CONECT   17   19   18   16                                            
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20   25   21   26                                            
CONECT   21   27   22   23   20                                       
CONECT   22   31   24   21                                            
CONECT   23   21   13                                                 
CONECT   24   22                                                      
CONECT   25   20                                                      
CONECT   26   20                                                      
CONECT   27   21                                                      
CONECT   28   29                                                      
CONECT   29   31   30   28                                            
CONECT   30   36   32   29                                            
CONECT   31   29   22                                                 
CONECT   32   30                                                      
CONECT   33   38   34                                                 
CONECT   34   35   36   33                                            
CONECT   35   42   37   34                                            
CONECT   36   34   30                                                 
CONECT   37   35                                                      
CONECT   38   33                                                      
CONECT   39   44   40   45                                            
CONECT   40   41   42   47   39                                       
CONECT   41   43   49   40                                            
CONECT   42   40   35                                                 
CONECT   43   41                                                      
CONECT   44   39                                                      
CONECT   45   46   39                                                 
CONECT   46   45                                                      
CONECT   47   40                                                      
CONECT   48   50   54   56                                            
CONECT   49   50   53   41                                            
CONECT   50   51   49   48                                            
CONECT   51   52   50                                                 
CONECT   52   53   51                                                 
CONECT   53   52   49                                                 
CONECT   54   48                                                      
CONECT   55   61   65   57                                            
CONECT   56   57   60   48                                            
CONECT   57   58   56   55                                            
CONECT   58   59   57                                                 
CONECT   59   60   58                                                 
CONECT   60   59   56                                                 
CONECT   61   55                                                      
CONECT   62   63   67                                                 
CONECT   63   64   65   62                                            
CONECT   64   74   66   63                                            
CONECT   65   63   55                                                 
CONECT   66   64                                                      
CONECT   67   68   62                                                 
CONECT   68   69   70   67                                            
CONECT   69   68                                                      
CONECT   70   68                                                      
CONECT   71   76   72                                                 
CONECT   72   73   74   71                                            
CONECT   73   83   75   72                                            
CONECT   74   72   64                                                 
CONECT   75   73                                                      
CONECT   76   77   71                                                 
CONECT   77   78   76                                                 
CONECT   78   79   77                                                 
CONECT   79   78                                                      
CONECT   80   85   81                                                 
CONECT   81   83   82   80                                            
CONECT   82   84   81                                                 
CONECT   83   81   73                                                 
CONECT   84   82                                                      
CONECT   85   86   90   80                                            
CONECT   86   87   85                                                 
CONECT   87   88   86                                                 
CONECT   88   89   91   87                                            
CONECT   89   90   88                                                 
CONECT   90   89   85                                                 
CONECT   91   88                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
M  END

$$$$
D00TFF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -5.001   0.206   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.001  -0.619   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.287  -1.031   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.572  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.572   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.287   0.619   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.858  -1.031   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.143  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.858   0.619   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.429   0.619   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.715   0.206   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1      -1.429   1.444   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.000   0.619   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.715   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.429   0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.429   1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.715   1.856   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.000   1.444   0.000  1.00  0.00           C  
HETATM   20 CL   UNL     1      -0.715   1.856   0.000  1.00  0.00          Cl  
HETATM   21  C   UNL     1       2.143   0.206   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.858   0.619   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.572   0.206   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.287   0.619   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.001   0.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       5.716   0.619   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       5.716   1.444   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.001   1.856   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.287   1.444   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.572  -0.619   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.287  -1.031   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       2.143  -0.619   0.000  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.429  -1.031   0.000  1.00  0.00           O  
HETATM   34 XX   UNL     1      -5.716  -1.031   0.000  1.00  0.00          Xx  
HETATM   35  N   UNL     1       4.287  -1.856   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   34                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   33                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12   13                                            
CONECT   12   11   14                                                 
CONECT   13   11                                                      
CONECT   14   12   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14   20                                            
CONECT   20   19                                                      
CONECT   21   16   22   32                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   30                                            
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   23   31                                                 
CONECT   31   30   35                                                 
CONECT   32   21                                                      
CONECT   33    8                                                      
CONECT   34    2                                                      
CONECT   35   31                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END

$$$$

$$$$
D00THJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.357   1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.357   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.357   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.072   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.072   1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.357   1.650   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       0.357   2.475   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.072   0.000   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.786   0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.501   0.000   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.786   0.000   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.786  -0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.501  -1.238   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.501  -2.062   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.215  -2.475   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.930  -2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.930  -1.238   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.215  -0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.215   0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.930   0.000   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.930  -0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.215  -1.237   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.501  -0.825   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.644  -1.238   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1       4.644  -2.475   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   11                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    2    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   19   23                                            
CONECT   11    4   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   25                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   10   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   10                                                 
CONECT   24   21                                                      
CONECT   25   16                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D00TIB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.689   0.440   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.689  -0.385   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.025  -0.797   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.740  -0.385   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.740   0.440   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.025   0.853   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       1.454  -0.797   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       2.169  -0.385   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       2.169   0.440   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.454   0.853   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       1.454   1.678   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       2.883   0.853   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.883   1.678   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.403  -0.797   0.000  1.00  0.00           O  
HETATM   15  S   UNL     1      -2.118  -0.385   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1      -2.441  -1.107   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.833   0.028   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1      -1.706   0.330   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       3.598   2.090   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.598   2.915   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.883   3.328   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.169   2.915   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.169   2.090   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.261  -1.192   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.598  -1.945   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.114  -2.613   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.293  -2.528   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.957  -1.775   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.526  -3.328   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.169  -1.210   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.883  -1.622   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.598  -1.210   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.598  -0.385   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.883   0.028   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   14                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   30   34                                       
CONECT    9    8   10   12                                            
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    9   13                                                 
CONECT   13   12   19   23                                            
CONECT   14    2   15                                                 
CONECT   15   14   16   17   18                                       
CONECT   16   15   24   28                                            
CONECT   17   15                                                      
CONECT   18   15                                                      
CONECT   19   13   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   13                                                 
CONECT   24   16   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   16                                                 
CONECT   29   26                                                      
CONECT   30    8   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33    8                                                 
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D00TMQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.277   1.827   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.677   1.105   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.252   0.398   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.427   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.027   1.133   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.452   1.841   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.003  -0.295   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.178  -0.281   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.403  -1.017   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.228  -1.031   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.628  -1.752   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.204  -2.460   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.379  -2.446   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.978  -1.724   0.000  1.00  0.00           C  
HETATM   15 CL   UNL     1      -3.701   2.534   0.000  1.00  0.00          Cl  
HETATM   16  C   UNL     1      -0.353  -0.281   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.230  -0.865   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.814  -0.281   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       0.230   0.302   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.639  -0.281   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       2.051   0.433   0.000  1.00  0.00           O  
HETATM   22  N   UNL     1       2.051  -0.996   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.876  -0.996   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.289  -1.710   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.289  -0.281   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.701  -0.996   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.156  -1.709   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1      -1.156  -0.884   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -0.331  -1.709   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -1.156  -2.534   0.000  1.00  0.00           F  
CONECT    1    2    6   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    9    8                                            
CONECT    8   16    7                                                 
CONECT    9    7   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9   27                                            
CONECT   15    1                                                      
CONECT   16    8   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   16                                                 
CONECT   20   18   21   22                                            
CONECT   21   20                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24   25   26                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23                                                      
CONECT   27   14   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D00TVG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.155   0.774   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.155  -0.051   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.440  -0.464   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.726  -0.051   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.726   0.774   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.440   1.186   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.440  -1.289   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.011  -0.464   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.297  -0.051   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.418  -0.464   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.132  -0.051   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.132   0.774   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.418   1.186   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.297   0.774   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.847   1.186   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       2.561   0.774   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1       1.847   2.011   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       3.275   1.186   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.108  -1.774   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.853  -2.559   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.028  -2.559   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.773  -1.774   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.029   0.850   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.581   1.464   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.169   2.178   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.362   2.006   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       2.749   2.559   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1       4.201   0.043   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.869   1.186   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1      -3.458   1.898   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -4.581   1.597   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -4.280   0.474   0.000  1.00  0.00           F  
CONECT    1   29    2    6                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3   19   22                                            
CONECT    8    4    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   23   26                                            
CONECT   19    7   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21    7                                                 
CONECT   23   18   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   18   27                                            
CONECT   27   26                                                      
CONECT   28   23                                                      
CONECT   29   30   31   32    1                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D00TVL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.071   1.134   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.071   0.309   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.356  -0.104   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.358   0.309   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.358   1.134   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.356   1.546   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.073  -0.104   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.787   0.309   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.787   1.134   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.073   1.546   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.073   2.371   0.000  1.00  0.00           N  
HETATM   12  S   UNL     1       0.358   2.784   0.000  1.00  0.00           S  
HETATM   13  O   UNL     1       0.771   3.498   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1      -0.054   2.069   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.356   3.196   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.356   4.021   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.071   4.434   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.785   4.021   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.785   3.196   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.071   2.784   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.500   4.434   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.358   4.434   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.071   1.959   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.787   2.784   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       1.073  -0.929   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       0.358  -1.341   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.356  -0.929   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.071  -1.341   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.071  -2.166   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.785  -0.929   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       0.358  -2.166   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.356  -2.579   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.356  -3.404   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       0.358  -3.816   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.073  -3.404   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       1.073  -2.579   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       2.500   1.960   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1       2.500   2.785   0.000  1.00  0.00           O  
HETATM   39  O   UNL     1       1.785   1.548   0.000  1.00  0.00           O  
HETATM   40  O   UNL     1       0.714  -4.021   0.000  1.00  0.00           O  
HETATM   41  C   UNL     1       1.429  -4.434   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   25                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   12   24                                            
CONECT   12   11   13   14   15                                       
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15   12   16   20                                            
CONECT   16   15   17   22                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15   23                                            
CONECT   21   18                                                      
CONECT   22   16                                                      
CONECT   23   20                                                      
CONECT   24   11   37                                                 
CONECT   25    7   26                                                 
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   26   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   40                                            
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
CONECT   37   24   38   39                                            
CONECT   38   37                                                      
CONECT   39   37                                                      
CONECT   40   34   41                                                 
CONECT   41   40                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D00TXZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.252  -1.862   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.427  -1.862   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.014  -1.147   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.427  -0.433   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.252  -0.433   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.664  -1.147   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.489  -1.147   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.569  -0.564   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       0.569  -1.731   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1       1.394  -0.564   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.649   0.221   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.982   0.706   0.000  1.00  0.00           C  
HETATM   13  S   UNL     1       0.314   0.221   0.000  1.00  0.00           S  
HETATM   14  C   UNL     1       2.403   0.556   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.489   1.377   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.822   1.862   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.068   1.526   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    8    9                                       
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    3   10   13                                            
CONECT    9    3                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13   17                                            
CONECT   13   12    8                                                 
CONECT   14   11   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D00UAQ
  -OEChem-09301911182D

 70 73  0     1  0  0  0  0  0999 V2000
    4.5981   -0.3621    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.8718   -0.3312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.8564    3.6688    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    3.5040    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.1379    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    1.7719    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.8621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3465    3.6725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.6138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8564    3.6726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8564    3.6649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3621    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -2.3621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.1587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    0.6033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8621    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7320   -0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    2.6726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    2.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    2.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    1.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8525    4.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    2.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8680    0.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320    1.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7166    5.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.9697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -0.2795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -2.8370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -2.8370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -1.7544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -2.4447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.2795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.9697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.2205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.5303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -3.2544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -3.9447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -3.9697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -3.2795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509   -0.0167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5249    3.1386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7278    3.1355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -5.1721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4643    0.8534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6382    5.2505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2424    4.5587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2639    2.4842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702    0.8642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0287    4.6363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2524    5.4841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4046    5.7078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 39  1  0  0  0  0
  3 10  2  0  0  0  0
  3 11  2  0  0  0  0
  3 35  1  0  0  0  0
  3 37  1  0  0  0  0
  4 30  1  0  0  0  0
  5 30  1  0  0  0  0
  6 30  1  0  0  0  0
  7 29  1  0  0  0  0
  7 62  1  0  0  0  0
  8 31  2  0  0  0  0
  9 33  2  0  0  0  0
 12 17  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 16 13  1  1  0  0  0
 13 23  1  0  0  0  0
 13 53  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 26  1  0  0  0  0
 15 33  1  0  0  0  0
 15 59  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 19  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 20  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
 21 22  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 29  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
 24 28  1  0  0  0  0
 24 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 31  1  0  0  0  0
 28 56  1  0  0  0  0
 29 57  1  0  0  0  0
 29 58  1  0  0  0  0
 32 34  1  0  0  0  0
 32 60  1  0  0  0  0
 32 61  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 35 38  1  0  0  0  0
 36 39  2  0  0  0  0
 36 63  1  0  0  0  0
 37 41  1  0  0  0  0
 37 64  1  0  0  0  0
 37 65  1  0  0  0  0
 38 40  2  0  0  0  0
 38 66  1  0  0  0  0
 39 40  1  0  0  0  0
 40 67  1  0  0  0  0
 41 68  1  0  0  0  0
 41 69  1  0  0  0  0
 41 70  1  0  0  0  0
M  END

$$$$
D00UDJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.865  -0.515   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.865  -1.340   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.151  -1.753   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.437  -1.340   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.437  -0.515   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.151  -0.103   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.348  -1.595   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.833  -0.928   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.348  -0.260   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.653  -0.841   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.989  -0.088   0.000  1.00  0.00           C  
HETATM   12  S   UNL     1       1.504   0.580   0.000  1.00  0.00           S  
HETATM   13  C   UNL     1       0.684   0.493   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.138  -1.509   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.959  -1.423   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.294  -0.669   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.809  -0.001   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.199   1.161   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.534   1.915   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       0.049   2.582   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.385   3.336   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.355   2.001   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.690   2.755   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.622   1.075   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       0.603  -2.380   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.410  -2.551   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       1.665  -3.336   0.000  1.00  0.00           F  
HETATM   28  O   UNL     1      -2.580  -1.753   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.294  -1.340   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   28                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   25                                            
CONECT    8    7    9   10                                            
CONECT    9    8    5   13                                            
CONECT   10    8   11   14                                            
CONECT   11   10   12   17                                            
CONECT   12   11   13                                                 
CONECT   13   12    9   18                                            
CONECT   14   10   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   11                                                 
CONECT   18   19   24   13                                            
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20                                                      
CONECT   22   19   23                                                 
CONECT   23   22                                                      
CONECT   24   18                                                      
CONECT   25    7   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26                                                      
CONECT   28    2   29                                                 
CONECT   29   28                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D00VBP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.913   1.446   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.710   1.233   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.923   0.436   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.340  -0.148   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.543   0.066   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.330   0.863   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.533   1.076   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.891   0.557   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.200   1.006   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.413   1.803   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.237   1.846   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.686   2.538   0.000  1.00  0.00           O  
HETATM   13  N   UNL     1       0.571   0.711   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.700  -0.104   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.470  -0.400   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.111   0.119   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.982   0.934   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.212   1.230   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.881  -0.176   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.522   0.343   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       3.010  -0.991   0.000  1.00  0.00           O  
HETATM   22  F   UNL     1      -4.293   1.816   0.000  1.00  0.00           F  
HETATM   23  C   UNL     1      -3.553  -0.945   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.350  -1.158   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.564  -1.955   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.981  -2.538   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.184  -2.325   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.970  -1.528   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.934  -0.575   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       4.293   0.047   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       4.934   0.566   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.805   1.381   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.034   1.677   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       3.393   1.158   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   22                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   23                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10    7   12                                            
CONECT   12   11                                                      
CONECT   13    9   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16   20   21                                            
CONECT   20   19   30   34                                            
CONECT   21   19                                                      
CONECT   22    2                                                      
CONECT   23    4   24   28                                            
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   24                                                      
CONECT   30   20   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   20                                                 
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D00VEM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.265   0.084   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.440   0.080   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.027   0.794   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.798   0.794   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.053   1.579   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.385   2.064   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.282   1.579   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.210   0.080   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.035   0.080   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.448  -0.635   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.448   0.794   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.749   0.752   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.534   0.498   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.534  -0.327   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1      -1.749  -0.583   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1      -3.248   0.910   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.963   0.498   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.963  -0.327   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.248  -0.740   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.035  -1.349   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.448  -2.064   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.273  -2.064   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.685  -1.349   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.273  -0.635   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       3.685   0.080   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1       4.506   0.166   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       4.677   0.973   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.963   1.385   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       3.350   0.833   0.000  1.00  0.00           N  
HETATM   30 CL   UNL     1      -4.677  -0.740   0.000  1.00  0.00          Cl  
CONECT    1    2   12   15                                            
CONECT    2    1    3                                                 
CONECT    3    4    7    2                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    3                                                 
CONECT    8    9    4                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   20   24                                            
CONECT   11    9                                                      
CONECT   12    1   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   19                                            
CONECT   15   14    1                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   30                                            
CONECT   19   18   14                                                 
CONECT   20   10   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   10   25                                            
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   25                                                 
CONECT   30   18                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D00VLQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429   0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.429  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.715  -0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.000   0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.715   1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.715  -0.619   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.429  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.429   0.619   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.715   1.031   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -0.715   1.856   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.715  -1.444   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.429  -1.856   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1       0.000  -1.856   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   12                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    6                                                      
CONECT   12    3   13   14                                            
CONECT   13   12                                                      
CONECT   14   12                                                      
MASTER        0    0    0    0    0    0    0    0   14    0   14    0
END
M  END

$$$$
D00VSX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.551   0.240   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.551  -0.585   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.837  -0.997   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.122  -0.585   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.122   0.240   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.837   0.653   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.408   0.653   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.306   0.240   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -0.408   1.478   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.021   0.653   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.736   0.240   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.450   0.653   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.450   1.478   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.736   1.890   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.021   1.478   0.000  1.00  0.00           C  
HETATM   16 CL   UNL     1       3.164   0.240   0.000  1.00  0.00          Cl  
HETATM   17  N   UNL     1      -3.164  -1.137   0.000  1.00  0.00           N  
HETATM   18  N   UNL     1      -2.829  -1.890   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.008  -1.804   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1       3.164   1.890   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   17                                            
CONECT    3    2    4   19                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14   20                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   12                                                      
CONECT   17    2   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18    3                                                 
CONECT   20   13                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D00VXV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.547   5.848   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.861   5.390   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.915   4.566   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.229   4.108   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -4.283   3.285   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.597   2.826   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.651   2.003   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.965   1.545   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -3.489   4.473   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1      -4.391   1.638   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.857   3.191   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.171   2.733   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.803   4.015   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.655   4.202   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.933   0.721   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.139   0.497   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.680   1.183   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.191   1.831   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.431   3.098   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.377   3.921   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.063   4.380   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.756  -2.187   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.042  -1.775   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       0.672  -2.187   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.387  -1.775   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       2.101  -2.187   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.816  -1.775   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.530  -2.187   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       1.387  -0.950   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       3.530  -3.012   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       0.672  -3.012   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       4.298  -1.886   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       4.541  -1.097   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.077  -0.416   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1       3.254  -0.354   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1       2.693  -0.959   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       5.364  -1.036   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       5.722  -0.292   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       5.257   0.389   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       4.435   0.328   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       2.953   0.414   0.000  1.00  0.00           C  
HETATM   42  O   UNL     1       3.467   1.059   0.000  1.00  0.00           O  
HETATM   43  C   UNL     1       5.700  -2.660   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       5.913  -3.457   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1       6.710  -3.671   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1       7.294  -3.087   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1       7.080  -2.291   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1       6.283  -2.077   0.000  1.00  0.00           C  
HETATM   49  C   UNL     1       5.330  -4.041   0.000  1.00  0.00           C  
HETATM   50  C   UNL     1       5.544  -4.838   0.000  1.00  0.00           C  
HETATM   51  C   UNL     1       6.340  -5.051   0.000  1.00  0.00           C  
HETATM   52  C   UNL     1       6.924  -4.468   0.000  1.00  0.00           C  
HETATM   53  O   UNL     1       6.070  -1.280   0.000  1.00  0.00           O  
HETATM   54  C   UNL     1       6.653  -0.697   0.000  1.00  0.00           C  
HETATM   55 BR   UNL     1       6.554  -5.848   0.000  1.00  0.00          Br  
HETATM   56  C   UNL     1       4.882  -2.469   0.000  1.00  0.00           C  
HETATM   57  C   UNL     1       2.128   0.414   0.000  1.00  0.00           C  
HETATM   58  C   UNL     1       1.715   1.128   0.000  1.00  0.00           C  
HETATM   59  C   UNL     1       0.890   1.128   0.000  1.00  0.00           C  
HETATM   60  C   UNL     1       0.478   0.414   0.000  1.00  0.00           C  
HETATM   61  C   UNL     1       0.890  -0.301   0.000  1.00  0.00           C  
HETATM   62  C   UNL     1       1.715  -0.301   0.000  1.00  0.00           C  
HETATM   63  C   UNL     1      -0.347   0.414   0.000  1.00  0.00           C  
HETATM   64  O   UNL     1      -0.760  -0.301   0.000  1.00  0.00           O  
HETATM   65  N   UNL     1      -0.856   1.215   0.000  1.00  0.00           N  
HETATM   66  C   UNL     1      -3.581   0.210   0.000  1.00  0.00           C  
HETATM   67  N   UNL     1      -4.347   0.515   0.000  1.00  0.00           N  
HETATM   68  O   UNL     1      -3.462  -0.607   0.000  1.00  0.00           O  
HETATM   69  C   UNL     1      -4.995   0.005   0.000  1.00  0.00           C  
HETATM   70  C   UNL     1      -5.761   0.310   0.000  1.00  0.00           C  
HETATM   71  C   UNL     1      -6.409  -0.200   0.000  1.00  0.00           C  
HETATM   72  C   UNL     1      -6.291  -1.017   0.000  1.00  0.00           C  
HETATM   73  C   UNL     1      -5.524  -1.323   0.000  1.00  0.00           C  
HETATM   74  C   UNL     1      -4.877  -0.812   0.000  1.00  0.00           C  
HETATM   75  C   UNL     1      -5.880   1.127   0.000  1.00  0.00           C  
HETATM   76  C   UNL     1      -6.646   1.433   0.000  1.00  0.00           C  
HETATM   77  C   UNL     1      -7.294   0.922   0.000  1.00  0.00           C  
HETATM   78  C   UNL     1      -7.175   0.105   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4   14                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    7   11                                            
CONECT    7    6    8   10                                            
CONECT    8    7   15   18                                            
CONECT    9    4                                                      
CONECT   10    7                                                      
CONECT   11    6   12   13                                            
CONECT   12   11   19                                                 
CONECT   13   11   21                                                 
CONECT   14    3                                                      
CONECT   15    8   16   66                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   65                                            
CONECT   18   17    8                                                 
CONECT   19   12   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   13                                                 
CONECT   22   23                                                      
CONECT   23   22   24                                                 
CONECT   24   23   25   31                                            
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   36                                            
CONECT   28   27   30   32                                            
CONECT   29   25                                                      
CONECT   30   28                                                      
CONECT   31   24                                                      
CONECT   32   28   33   56                                            
CONECT   33   32   34   37                                            
CONECT   34   33   35   40                                            
CONECT   35   34   36   41                                            
CONECT   36   35   27                                                 
CONECT   37   33   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   34                                                 
CONECT   41   35   42   57                                            
CONECT   42   41                                                      
CONECT   43   44   48   56                                            
CONECT   44   43   45   49                                            
CONECT   45   44   46   52                                            
CONECT   46   45   47                                                 
CONECT   47   46   48                                                 
CONECT   48   47   43   53                                            
CONECT   49   44   50                                                 
CONECT   50   49   51                                                 
CONECT   51   50   52   55                                            
CONECT   52   51   45                                                 
CONECT   53   48   54                                                 
CONECT   54   53                                                      
CONECT   55   51                                                      
CONECT   56   32   43                                                 
CONECT   57   41   58   62                                            
CONECT   58   57   59                                                 
CONECT   59   58   60                                                 
CONECT   60   59   61   63                                            
CONECT   61   60   62                                                 
CONECT   62   61   57                                                 
CONECT   63   60   64   65                                            
CONECT   64   63                                                      
CONECT   65   17   63                                                 
CONECT   66   15   67   68                                            
CONECT   67   66   69                                                 
CONECT   68   66                                                      
CONECT   69   67   70   74                                            
CONECT   70   69   71   75                                            
CONECT   71   70   72   78                                            
CONECT   72   71   73                                                 
CONECT   73   72   74                                                 
CONECT   74   73   69                                                 
CONECT   75   70   76                                                 
CONECT   76   75   77                                                 
CONECT   77   76   78                                                 
CONECT   78   77   71                                                 
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
M  END

$$$$
D00WDA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.060   0.151   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.060  -0.671   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.348  -1.082   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.364  -0.671   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.364   0.151   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.348   0.562   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.146  -0.925   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1       1.629  -0.260   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.146   0.405   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.452  -0.260   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.772   0.562   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.772   1.384   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.484   1.795   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.060   1.795   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1      -3.198   1.383   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.913   1.795   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.913   2.620   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.198   3.033   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.484   2.620   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.864   0.455   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.689   0.455   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1       2.452   1.169   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       4.102  -0.260   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.927  -0.260   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       5.339   0.455   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       4.927   1.169   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.102   1.169   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.774  -1.083   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.774  -1.909   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.627   1.383   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -5.038   2.095   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -5.339   0.972   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -4.216   0.671   0.000  1.00  0.00           F  
HETATM   34  C   UNL     1      -2.489  -2.321   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1      -2.900  -1.609   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1      -3.201  -2.732   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -2.078  -3.033   0.000  1.00  0.00           F  
CONECT    1    2    6   11                                            
CONECT    2    1    3   28                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   20                                                 
CONECT   11    1   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   15   19                                            
CONECT   14   12                                                      
CONECT   15   13   16                                                 
CONECT   16   30   15   17                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   13                                                 
CONECT   20   10   21   22                                            
CONECT   21   20   23   27                                            
CONECT   22   20                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   21                                                 
CONECT   28    2   29                                                 
CONECT   29   34   28                                                 
CONECT   30   31   32   33   16                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
CONECT   34   35   36   37   29                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D00WZH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.295   1.158   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.295   0.333   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.581  -0.080   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.866   0.333   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.866   1.158   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.581   1.570   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.080   1.413   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.565   0.745   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.080   0.078   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.335   2.197   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.581  -0.905   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.152  -0.080   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.437   0.333   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.723  -0.080   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1      -2.152  -0.905   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.723  -0.905   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.008  -1.317   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.706  -0.905   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.706  -0.080   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.008   0.333   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.792  -1.725   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.599  -1.897   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.012  -1.182   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.460  -0.569   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.832  -1.096   0.000  1.00  0.00           C  
HETATM   26  S   UNL     1       3.384  -1.709   0.000  1.00  0.00           S  
HETATM   27  C   UNL     1       4.138  -1.374   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.052  -0.553   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       3.245  -0.382   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       4.853  -1.786   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       5.565  -2.197   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   11                                            
CONECT    4    3    5   12                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    7                                                      
CONECT   11    3                                                      
CONECT   12    4   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13   16   20                                            
CONECT   15   12                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21   24                                       
CONECT   19   18   20                                                 
CONECT   20   19   14                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   18                                                 
CONECT   25   23   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   30   26   28                                            
CONECT   28   27   29                                                 
CONECT   29   28   25                                                 
CONECT   30   31   27                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D00WZJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.030   0.192   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.030  -0.633   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.745  -1.045   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.459  -0.633   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.459   0.192   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.745   0.605   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       3.174  -1.045   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       3.888  -0.633   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.888   0.192   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.174   0.605   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       4.685  -0.846   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       4.102  -1.430   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       1.745   1.430   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.316   0.605   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.316   1.430   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.398   0.192   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.113   0.605   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.827   0.192   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.542   0.605   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.256   0.192   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.256  -0.633   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.542  -1.045   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.827  -0.633   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.971   0.605   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.971  -1.045   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.685  -0.633   0.000  1.00  0.00           C  
CONECT    1    2    6   14                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   13                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   11   12                                       
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    8                                                      
CONECT   12    8                                                      
CONECT   13    6                                                      
CONECT   14    1   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   20                                                      
CONECT   25   21   26                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D00XDN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.148   0.080   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.061  -0.741   0.000  1.00  0.00           N  
HETATM    3  N   UNL     1      -0.255  -0.912   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.158  -0.198   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.394   0.416   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.675  -1.292   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.459  -1.038   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.072  -1.590   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.901  -2.397   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.116  -2.651   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.503  -2.099   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -0.718  -2.354   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1       0.979  -0.111   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.531  -0.724   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.862   0.492   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.862   1.317   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.577   1.730   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.291   1.317   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.291   0.492   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.577   0.080   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1      -4.006   1.730   0.000  1.00  0.00          Cl  
HETATM   22  O   UNL     1       1.274   0.659   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.223   1.223   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.635   1.937   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.460   1.937   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1      -0.223   2.651   0.000  1.00  0.00           N  
HETATM   27  N   UNL     1       2.356  -0.724   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       2.768  -1.439   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.593  -1.439   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.006  -0.724   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.593  -0.010   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.768  -0.010   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1      -1.873   2.651   0.000  1.00  0.00           O  
CONECT    1    2    5   15                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    1   23                                            
CONECT    6    2    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    6   12                                            
CONECT   12   11                                                      
CONECT   13    4   14   22                                            
CONECT   14   13   27                                                 
CONECT   15    1   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18                                                      
CONECT   22   13                                                      
CONECT   23    5   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   33                                                 
CONECT   26   24                                                      
CONECT   27   14   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   25                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D00XFM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.066   0.862   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.791   0.468   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.494   0.899   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.473   1.723   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.748   2.117   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.045   1.686   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1       0.320   2.080   0.000  1.00  0.00          Cl  
HETATM    8  C   UNL     1       3.219   0.505   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       3.923   0.935   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       4.648   0.542   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       4.669  -0.283   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       5.351   0.972   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       6.076   0.579   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       5.330   1.797   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.362   0.431   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.362   0.825   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1       0.384  -0.394   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.320  -0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.045  -0.431   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.748  -0.862   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.727  -1.686   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.002  -2.080   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.298  -1.649   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       6.055   1.403   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.473  -0.468   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.177  -0.899   0.000  1.00  0.00           N  
HETATM   27  N   UNL     1      -3.155  -1.723   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -2.431  -2.117   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.494   0.357   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.902  -0.505   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.923   0.320   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.648   0.714   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.351   0.283   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.330  -0.542   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.605  -0.935   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1      -6.076   0.677   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -4.584  -1.760   0.000  1.00  0.00           F  
CONECT    1    2    6   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    3    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   13   14   24                                       
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15    1   16   17                                            
CONECT   16   15                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22   28                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   12                                                      
CONECT   25   20   26   29                                            
CONECT   26   25   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   21                                                 
CONECT   29   25                                                      
CONECT   30   26   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   36                                            
CONECT   34   33   35                                                 
CONECT   35   34   30   37                                            
CONECT   36   33                                                      
CONECT   37   35                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D00XFT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.829   0.896   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.829   0.071   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.114  -0.342   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.400   0.071   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.400   0.896   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.114   1.308   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.315  -0.342   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.401  -1.162   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1       1.208  -1.334   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.621  -0.620   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.069  -0.006   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.543   1.308   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.212  -1.714   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.997  -1.460   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.610  -2.012   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.438  -2.818   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.654  -3.074   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.041  -2.521   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -2.051  -3.371   0.000  1.00  0.00          Cl  
HETATM   20 CL   UNL     1       0.744  -2.776   0.000  1.00  0.00          Cl  
HETATM   21  C   UNL     1       1.240   0.801   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.441  -0.533   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       2.777   0.220   0.000  1.00  0.00           O  
HETATM   24  N   UNL     1       2.926  -1.201   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.257   0.896   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.543   2.133   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.972   1.308   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.972   2.133   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.686   2.546   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.401   2.133   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.401   1.308   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.686   0.896   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       3.751  -1.201   0.000  1.00  0.00           N  
HETATM   34 CL   UNL     1      -4.686   3.371   0.000  1.00  0.00          Cl  
HETATM   35  C   UNL     1       4.163  -1.915   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.988  -1.915   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1       5.401  -1.201   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1       4.988  -0.486   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       4.163  -0.486   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   22                                            
CONECT   11   10    7   21                                            
CONECT   12    1   25   26                                            
CONECT   13    8   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13   20                                            
CONECT   19   16                                                      
CONECT   20   18                                                      
CONECT   21   11                                                      
CONECT   22   10   23   24                                            
CONECT   23   22                                                      
CONECT   24   22   33                                                 
CONECT   25   12   27                                                 
CONECT   26   12                                                      
CONECT   27   25   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   24   35   39                                            
CONECT   34   29                                                      
CONECT   35   33   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   33                                                 
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D00XHH
  -OEChem-09301911102D

 36 37  0     0  0  0  0  0  0999 V2000
    2.5369    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -2.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -3.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490   -5.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890   -5.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    2.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230    3.9276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244    3.2373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    5.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 35  1  0  0  0  0
  2 18  2  0  0  0  0
  3 21  1  0  0  0  0
  3 36  1  0  0  0  0
  4 21  2  0  0  0  0
  5 18  1  0  0  0  0
  5 20  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  2  0  0  0  0
 10 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 16  1  0  0  0  0
 13 25  1  0  0  0  0
 14 17  2  0  0  0  0
 14 26  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 19  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 19 29  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
M  END

$$$$
D00XMF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.522   1.051   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.351   0.247   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.466   0.161   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.801   0.912   0.000  1.00  0.00           N  
HETATM    5  O   UNL     1       0.190   1.462   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1       0.877  -0.551   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.466  -1.263   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.877  -1.975   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.699  -1.975   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.110  -1.263   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.699  -0.551   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1       2.110  -2.687   0.000  1.00  0.00          Cl  
HETATM   13 CL   UNL     1       0.466  -2.687   0.000  1.00  0.00          Cl  
HETATM   14  C   UNL     1      -1.273   1.386   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.359   2.203   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.110   2.538   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1      -0.694   2.687   0.000  1.00  0.00           O  
CONECT    1    2    5   14                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4    1                                                 
CONECT    6    3    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10   12                                            
CONECT   10    9   11                                                 
CONECT   11   10    6                                                 
CONECT   12    9                                                      
CONECT   13    8                                                      
CONECT   14    1   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15                                                      
CONECT   17   15                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D00XWZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.300  -0.357   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.888  -1.072   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.062  -1.072   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.650  -0.357   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.062   0.357   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.888   0.357   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.825  -0.357   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.412   0.357   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.412  -1.072   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.412  -1.072   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.825  -1.786   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.650  -1.786   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.062  -1.072   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.650  -0.357   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.825  -0.357   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.888  -1.072   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.300  -1.786   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       3.300  -0.357   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       2.888   0.357   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       0.412   0.357   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.825   1.072   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.412   1.786   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.412   1.786   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.825   1.072   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   20   24                                            
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18                                                      
CONECT   20    8   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23    8                                                 
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D00XXZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.710   2.005   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.004   2.417   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.719   2.005   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.433   2.417   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1       0.004   3.242   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1       2.147   2.005   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.862   2.417   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.862   3.242   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.147   3.655   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.433   3.242   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       3.576   3.655   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.719   1.180   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.425   2.417   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.139   2.005   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.139   1.180   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.425   0.767   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.710   1.180   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.854   0.767   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.854  -0.058   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.568  -0.470   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.568  -1.295   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.854  -1.708   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.139  -1.295   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.139  -0.470   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.283  -0.058   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.283   0.767   0.000  1.00  0.00           O  
HETATM   27  N   UNL     1      -4.997  -0.470   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -2.854  -2.533   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.521  -3.018   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -3.266  -3.803   0.000  1.00  0.00           N  
HETATM   31  N   UNL     1      -2.441  -3.803   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1      -2.186  -3.018   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.956  -4.470   0.000  1.00  0.00           C  
HETATM   34  H   UNL     1       0.932   2.801   0.000  1.00  0.00           H  
HETATM   35  C   UNL     1       4.288   3.242   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1       3.579   2.014   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1       3.060   3.951   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1       4.997   4.470   0.000  1.00  0.00           F  
CONECT    1    2   13   17                                            
CONECT    2    1    3    5                                            
CONECT    3    2    4   12   34                                       
CONECT    4    3    6   10                                            
CONECT    5    2                                                      
CONECT    6    4    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    8   35                                                 
CONECT   12    3                                                      
CONECT   13    1   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16    1                                                 
CONECT   18   15   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   28                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   20   26   27                                            
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   22   29   32                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   33                                            
CONECT   32   31   28                                                 
CONECT   33   31                                                      
CONECT   34    3                                                      
CONECT   35   36   37   38   11                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END

$$$$

$$$$

$$$$
D00YBT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.908   0.240   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.908  -0.585   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.194  -0.997   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.479  -0.585   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.479   0.240   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.194   0.653   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.765   0.653   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.050   0.240   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -0.765   1.478   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       0.664   0.653   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.379   0.240   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.093   0.653   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.093   1.478   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.379   1.890   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.664   1.478   0.000  1.00  0.00           C  
HETATM   16 CL   UNL     1       2.808   0.240   0.000  1.00  0.00          Cl  
HETATM   17  N   UNL     1      -3.521  -1.137   0.000  1.00  0.00           N  
HETATM   18  N   UNL     1      -3.186  -1.891   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.365  -1.804   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       2.807   1.891   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       3.521   1.478   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   17                                            
CONECT    3    2    4   19                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14   20                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   12                                                      
CONECT   17    2   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18    3                                                 
CONECT   20   13   21                                                 
CONECT   21   20                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D00YGY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.742  -1.422   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.456  -1.010   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.027  -1.010   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.027  -0.185   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.742   0.228   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.456  -0.185   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.742   1.053   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.687  -1.422   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.687  -2.247   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.401  -2.660   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.116  -2.247   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.116  -1.422   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.401  -1.010   0.000  1.00  0.00           C  
HETATM   14  F   UNL     1       2.830  -2.660   0.000  1.00  0.00           F  
HETATM   15  C   UNL     1      -1.409   1.538   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.323   2.358   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.990   2.843   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.744   2.507   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.830   1.687   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.163   1.202   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.224  -1.311   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.467  -2.100   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.003  -2.781   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.180  -2.843   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.619  -2.238   0.000  1.00  0.00           C  
CONECT    1    2    3   25                                            
CONECT    2    1    6   21                                            
CONECT    3    1    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    2                                                 
CONECT    7    5   15                                                 
CONECT    8    3    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11                                                      
CONECT   15    7   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21    2   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24    1                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D00YRD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.126   0.569   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.641  -0.098   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.144   0.157   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.144   0.981   0.000  1.00  0.00           C  
HETATM    5  S   UNL     1      -0.641   1.236   0.000  1.00  0.00           S  
HETATM    6  C   UNL     1       0.788  -0.358   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.593  -0.174   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.950   0.569   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.593   1.312   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.788   1.496   0.000  1.00  0.00           C  
HETATM   11 BR   UNL     1      -1.950   0.569   0.000  1.00  0.00          Br  
HETATM   12  O   UNL     1      -0.896  -0.883   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.344  -1.496   0.000  1.00  0.00           C  
CONECT    1    2    5   11                                            
CONECT    2   12    1    3                                            
CONECT    3    2    4    6                                            
CONECT    4    3    5   10                                            
CONECT    5    4    1                                                 
CONECT    6    3    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    1                                                      
CONECT   12   13    2                                                 
CONECT   13   12                                                      
MASTER        0    0    0    0    0    0    0    0   13    0   13    0
END
M  END

$$$$
D00YVL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.312   0.325   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.899  -0.390   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.074  -0.390   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.662   0.325   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.074   1.040   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.899   1.040   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.522  -1.003   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.768  -0.667   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.855   0.153   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.242   0.706   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.694  -1.810   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.081  -2.362   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.478  -2.064   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.054  -1.079   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.340  -0.667   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.625  -1.079   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.089  -0.667   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.804  -1.079   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.518  -0.667   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       1.518   0.158   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       0.804   0.571   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       0.089   0.158   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       0.391   1.285   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.216   1.285   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1       0.221  -1.663   0.000  1.00  0.00           F  
HETATM   26  F   UNL     1       1.387  -1.663   0.000  1.00  0.00           F  
HETATM   27  C   UNL     1       2.233  -1.079   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.947  -0.667   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       3.662  -1.079   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       2.947   0.158   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       4.487  -1.079   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.312  -1.079   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.899  -0.365   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.899  -1.794   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.457   0.451   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.844   1.003   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.016   1.810   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.800   2.064   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.413   1.512   0.000  1.00  0.00           C  
HETATM   40  F   UNL     1      -0.402   2.362   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8   11                                            
CONECT    8    7    9   14                                            
CONECT    9    8    4   10                                            
CONECT   10    9   35   39                                            
CONECT   11    7   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14    8   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19   25   26                                       
CONECT   19   18   20   27                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   23   24                                       
CONECT   22   21   17                                                 
CONECT   23   21                                                      
CONECT   24   21                                                      
CONECT   25   18                                                      
CONECT   26   18                                                      
CONECT   27   19   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28   31                                                 
CONECT   30   28                                                      
CONECT   31   29   32   33   34                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
CONECT   35   10   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38   40                                            
CONECT   38   37   39                                                 
CONECT   39   38   10                                                 
CONECT   40   37                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D00YXA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.617   0.619   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.097   0.206   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.812   0.619   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       1.526   0.206   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.241   0.619   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       0.812   1.444   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1       2.955   0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.670   0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.670   1.444   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.955   1.856   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.241   1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.955  -0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.670  -1.031   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       4.384  -0.619   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       4.384   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.670  -1.856   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.703   1.439   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.510   1.611   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.923   0.896   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.371   0.283   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.743   0.810   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.228   1.478   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.049   1.391   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.384   0.638   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.899  -0.030   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.079   0.056   0.000  1.00  0.00           C  
HETATM   27  H   UNL     1      -4.235  -0.783   0.000  1.00  0.00           H  
HETATM   28  F   UNL     1      -2.594  -0.611   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1       1.526   1.856   0.000  1.00  0.00           F  
CONECT    1    2   17   20                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4    7   11                                            
CONECT    6    3                                                      
CONECT    7    5    8   12                                            
CONECT    8    7    9   15                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    5   29                                            
CONECT   12    7   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14    8                                                 
CONECT   16   13                                                      
CONECT   17    1   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19    1                                                 
CONECT   21   19   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   21   28                                            
CONECT   27   25                                                      
CONECT   28   26                                                      
CONECT   29   11                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D00YYO
  -OEChem-09301911232D

 60 64  0     1  0  0  0  0  0999 V2000
    6.3301   -1.5600    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0600    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0600    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4725    1.1353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0561    1.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.4400    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1962    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4725    2.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722    3.9031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    4.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522    4.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573    1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -2.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6651    3.3340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6651    0.5459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2 35  1  0  0  0  0
  3 36  1  0  0  0  0
  4 18  2  0  0  0  0
  5 19  2  0  0  0  0
  6 26  2  0  0  0  0
  7 13  1  0  0  0  0
  7 19  1  0  0  0  0
  7 41  1  0  0  0  0
  8 16  1  0  0  0  0
  8 19  1  0  0  0  0
  8 43  1  0  0  0  0
  9 18  1  0  0  0  0
  9 25  1  0  0  0  0
  9 48  1  0  0  0  0
 10 26  1  0  0  0  0
 10 31  1  0  0  0  0
 10 52  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 11 57  1  0  0  0  0
 12 34  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 40  1  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 17  2  0  0  0  0
 15 20  1  0  0  0  0
 16 22  1  0  0  0  0
 17 21  1  0  0  0  0
 17 42  1  0  0  0  0
 20 23  2  0  0  0  0
 20 44  1  0  0  0  0
 21 24  2  0  0  0  0
 21 26  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 24  1  0  0  0  0
 23 49  1  0  0  0  0
 25 27  2  0  0  0  0
 25 29  1  0  0  0  0
 27 28  1  0  0  0  0
 27 50  1  0  0  0  0
 28 30  2  0  0  0  0
 28 34  1  0  0  0  0
 29 32  2  0  0  0  0
 29 51  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 53  1  0  0  0  0
 31 54  1  0  0  0  0
 32 55  1  0  0  0  0
 33 35  2  0  0  0  0
 33 36  1  0  0  0  0
 34 56  1  0  0  0  0
 35 37  1  0  0  0  0
 36 38  2  0  0  0  0
 37 39  2  0  0  0  0
 37 58  1  0  0  0  0
 38 39  1  0  0  0  0
 38 59  1  0  0  0  0
 39 60  1  0  0  0  0
M  END

$$$$
D00ZAI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.312   2.352   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.312   1.527   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.598   1.115   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.884   1.527   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.884   2.352   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.598   2.765   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.169   1.115   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.455   1.527   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.455   2.352   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.169   2.765   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.169   3.590   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.169   0.290   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.884  -0.123   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.884  -0.948   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.169  -1.360   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.455  -0.948   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.455  -0.123   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.169  -2.185   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.455  -2.598   0.000  1.00  0.00           C  
HETATM   20  S   UNL     1      -0.368  -3.418   0.000  1.00  0.00           S  
HETATM   21  C   UNL     1       0.439  -3.590   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.851  -2.875   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       0.299  -2.262   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.672  -2.789   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.156  -3.457   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.977  -3.370   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.312  -2.617   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.828  -1.949   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.007  -2.035   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    7   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   19                                                 
CONECT   24   22   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END

$$$$

$$$$

$$$$
D00ZCD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.853   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.853   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.138  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.424   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.424   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.138   1.444   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.709   1.444   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.995   1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.995   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.280  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.566   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.566   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.280   1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.149   1.444   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.863   1.031   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       0.864   0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.578  -0.206   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.293   0.206   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.293   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.578   1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.007  -0.206   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       3.007  -1.031   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1       3.721   0.206   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       4.850  -0.206   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       4.850  -1.031   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1       5.565  -1.444   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       6.279  -1.031   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       6.279  -0.206   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.565   0.206   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.567  -0.206   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -5.978   0.506   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -6.279  -0.617   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -5.156  -0.918   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2   30    1    3                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    8                                                 
CONECT   14   12   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22   23                                            
CONECT   22   21                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   31   32   33    2                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D00ZFY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.499  -1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.499  -1.856   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.785  -2.268   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.070  -1.856   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.070  -1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.785  -0.618   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.356  -2.268   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.358  -1.856   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.358  -1.031   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.356  -0.618   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.214  -0.618   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.928  -1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.643  -0.618   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.357  -1.031   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -6.072  -0.618   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -6.072   0.207   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.786   0.619   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -7.501   0.207   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -7.501  -0.618   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.786  -1.031   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.214  -2.268   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.928  -1.856   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.356   0.207   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       0.358   0.619   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.073   0.207   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.787   0.619   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.787   1.444   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.073   1.857   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.358   1.444   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       2.502   1.857   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       3.216   1.444   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       3.931   1.857   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       4.645   1.444   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       3.216   0.619   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       4.645   0.619   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       5.360   0.207   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       6.074   0.619   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       6.074   1.444   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       5.360   1.857   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       6.789   1.857   0.000  1.00  0.00           C  
HETATM   41  N   UNL     1       7.501   2.268   0.000  1.00  0.00           N  
CONECT    1    2    6   11                                            
CONECT    2    1    3   21                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   23                                            
CONECT   11    1   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21    2   22                                                 
CONECT   22   21                                                      
CONECT   23   10   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   35   39                                            
CONECT   34   31                                                      
CONECT   35   33   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   40   37   39                                            
CONECT   39   38   33                                                 
CONECT   40   41   38                                                 
CONECT   41   40                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D00ZGG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.654  -0.793   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.441   0.004   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.383   0.047   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.679  -0.723   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.038  -1.242   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.038  -2.067   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.752  -2.480   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.752  -3.305   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.038  -3.717   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.677  -3.305   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.677  -2.480   0.000  1.00  0.00           N  
HETATM   12  S   UNL     1      -0.967   0.630   0.000  1.00  0.00           S  
HETATM   13  C   UNL     1      -1.764   0.417   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.347   1.000   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.144   0.787   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.357  -0.010   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.774  -0.594   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.977  -0.380   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -4.154  -0.224   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1       1.024   0.587   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.821   0.374   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.404   0.957   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.191   1.754   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.394   1.967   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.810   1.384   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.393  -1.136   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.774   2.337   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.571   2.124   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.154   2.707   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       3.941   3.504   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       3.144   3.717   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.560   3.134   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3   20                                            
CONECT    3    2    4   12                                            
CONECT    4    3    5   26                                            
CONECT    5    4    1    6                                            
CONECT    6    5    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    6                                                 
CONECT   12    3   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16                                                      
CONECT   20    2   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26    4                                                      
CONECT   27   23   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D00ZVY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.332   2.017   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.916   1.433   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.702   0.636   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.905   0.423   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.322   1.006   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.536   1.803   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.531  -0.312   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.716  -0.183   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.587   0.632   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.148   1.006   0.000  1.00  0.00           C  
HETATM   11 CL   UNL     1      -2.546   2.813   0.000  1.00  0.00          Cl  
HETATM   12  N   UNL     1       0.840   0.557   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.575   0.931   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.618   1.755   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.926   2.205   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.191   1.830   0.000  1.00  0.00           N  
HETATM   17  F   UNL     1       2.353   2.130   0.000  1.00  0.00           F  
HETATM   18  N   UNL     1       2.267   0.482   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.224  -0.342   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.489  -0.716   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.446  -1.540   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.138  -1.990   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.873  -1.615   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.916  -0.791   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       2.094  -2.813   0.000  1.00  0.00           O  
CONECT    1    2    6   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9   12   16                                            
CONECT   11    1                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   10                                                 
CONECT   17   14                                                      
CONECT   18   13   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END

$$$$

$$$$

$$$$
D00ZXR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.192   1.917   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.192   1.092   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.907   0.680   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.621   1.092   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.621   1.917   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.907   2.330   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.907  -0.145   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.192  -0.558   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.192  -1.383   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.907  -1.795   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.621  -1.383   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.621  -0.558   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.478   0.680   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.237   1.092   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.951   0.680   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.237   1.917   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.705   1.015   0.000  1.00  0.00           C  
HETATM   18  S   UNL     1      -2.257   0.402   0.000  1.00  0.00           S  
HETATM   19  C   UNL     1      -1.844  -0.312   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.037  -0.141   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.180  -1.066   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.907   3.155   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1       3.336  -1.795   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.000  -1.152   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.336  -1.906   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.851  -2.574   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.030  -2.487   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.695  -1.734   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.545  -3.155   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   22                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   23                                            
CONECT   12   11    7                                                 
CONECT   13    2   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   17   20                                            
CONECT   16   14                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   15                                                 
CONECT   21   19   24   28                                            
CONECT   22    6                                                      
CONECT   23   11                                                      
CONECT   24   21   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   21                                                 
CONECT   29   27                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END

$$$$

$$$$

$$$$
D01ADE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.425   1.031   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.425   0.206   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.711  -0.206   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.997   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.997   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.711   1.444   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.212  -0.049   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.273   0.619   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.212   1.286   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.098   0.619   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.711   2.269   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -3.140  -0.206   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.140   1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.711  -1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.854   1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.569   1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.425  -1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.425  -2.269   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.515   0.035   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.340   0.035   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.923   0.619   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.312   1.416   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.136   1.416   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.812   0.206   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.638   0.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.748   0.619   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.160   1.333   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.986   1.333   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.569   1.917   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       4.398   0.619   0.000  1.00  0.00           O  
CONECT    1    2    6   13                                            
CONECT    2    1    3   12                                            
CONECT    3    2    4   14                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   19   22   24                                       
CONECT   11    6                                                      
CONECT   12    2                                                      
CONECT   13    1   15                                                 
CONECT   14    3   17                                                 
CONECT   15   13   16                                                 
CONECT   16   15                                                      
CONECT   17   14   18                                                 
CONECT   18   17                                                      
CONECT   19   10   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   23   25   26                                       
CONECT   22   10   23                                                 
CONECT   23   22   21                                                 
CONECT   24   10   25                                                 
CONECT   25   24   21                                                 
CONECT   26   21   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28                                                      
CONECT   30   28                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D01AFN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.053   0.019   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.228   0.019   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.815   0.734   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.228   1.448   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.053   1.448   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.465   0.734   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.990   0.734   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.165   0.734   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.340   0.734   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.145   0.066   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.929   0.321   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.929   1.146   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.145   1.401   0.000  1.00  0.00           C  
HETATM   14  F   UNL     1      -0.715   1.469   0.000  1.00  0.00           F  
HETATM   15  C   UNL     1       1.597  -0.164   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.510  -0.984   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.178  -1.469   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.932  -1.133   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.018  -0.313   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.350   0.172   0.000  1.00  0.00           C  
HETATM   21  S   UNL     1       3.751   0.064   0.000  1.00  0.00           S  
HETATM   22  O   UNL     1       3.338   0.778   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       4.465   0.476   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       4.163  -0.651   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   13   14                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12    9                                                 
CONECT   14    9                                                      
CONECT   15   11   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   15                                                 
CONECT   21   19   22   23   24                                       
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24   21                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D01AWH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.580   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.580   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.866   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.151   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.151   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.866   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.866  -0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.580  -0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.580  -1.650   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.866  -2.062   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.151  -1.650   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.151  -0.825   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.365  -0.570   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.850  -1.238   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1      -3.365  -1.905   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1      -0.437  -0.412   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.437   0.412   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       0.278  -0.825   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.992  -0.412   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.706  -0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.295   2.062   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.421  -0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.135  -0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.421   0.413   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.850  -0.412   0.000  1.00  0.00           C  
CONECT    1    2    6   21                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8   12                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10   15                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7   16                                            
CONECT   13    8   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    9                                                 
CONECT   16   12   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   22                                                 
CONECT   21    1                                                      
CONECT   22   20   23   24                                            
CONECT   23   22   25                                                 
CONECT   24   22                                                      
CONECT   25   23                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D01AYP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858  -2.064   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858  -2.889   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -3.301   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429  -2.889   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429  -2.064   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143  -1.651   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.572  -1.651   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.715  -1.651   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       0.000  -2.064   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       0.715  -1.651   0.000  1.00  0.00           C  
HETATM   11 BR   UNL     1      -2.143  -0.826   0.000  1.00  0.00          Br  
HETATM   12  C   UNL     1       1.429  -2.064   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.143  -1.651   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.143  -0.826   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.429  -0.414   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.715  -0.826   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.429   0.411   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       0.715   0.824   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.715   1.649   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.429   2.061   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.429   2.886   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       0.715   3.299   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       0.000   2.886   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.000   2.061   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.858  -0.414   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       3.572  -0.826   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       3.572  -1.651   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.287  -2.064   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.001  -1.651   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.001  -0.826   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.287  -0.414   0.000  1.00  0.00           C  
HETATM   32 CL   UNL     1       1.429  -2.889   0.000  1.00  0.00          Cl  
HETATM   33  C   UNL     1      -3.572  -0.826   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.287  -0.414   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.001  -0.826   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.001  -1.651   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.287  -2.064   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       4.285   0.001   0.000  1.00  0.00           C  
HETATM   39  O   UNL     1       4.999  -0.411   0.000  1.00  0.00           O  
HETATM   40  O   UNL     1       3.570  -0.411   0.000  1.00  0.00           O  
HETATM   41  C   UNL     1       2.142   3.301   0.000  1.00  0.00           C  
HETATM   42  N   UNL     1       2.967   3.301   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1   11                                            
CONECT    7    1   33   37                                            
CONECT    8    5    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   12   16                                            
CONECT   11    6                                                      
CONECT   12   10   13   32                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   25                                            
CONECT   15   14   16   17                                            
CONECT   16   15   10                                                 
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   41                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   14   26                                                 
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26   38                                            
CONECT   32   12                                                      
CONECT   33    7   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36    7                                                 
CONECT   38   31   39   40                                            
CONECT   39   38                                                      
CONECT   40   38                                                      
CONECT   41   21   42                                                 
CONECT   42   41                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D01BGG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.286   0.357   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.286  -0.468   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.571  -0.880   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.857  -0.468   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.857   0.357   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.571   0.770   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.142  -0.880   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.428  -0.468   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.428   0.357   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.142   0.770   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.142   1.595   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.713   0.770   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.001   0.357   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.716   0.770   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.716   1.595   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.001   2.007   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.713   1.595   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.430   0.357   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.430  -0.468   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.145  -0.880   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.145  -1.705   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.859  -2.118   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.574  -1.705   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.574  -0.880   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.859  -0.468   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.571   1.595   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.283   2.006   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -5.000  -0.880   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -5.000  -1.702   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       1.430   2.007   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       1.430   2.830   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.288  -2.118   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1       3.877  -2.830   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       5.000  -2.529   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1       4.699  -1.406   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2   28    1    3                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6   26    5    1                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    9   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   30   14   16                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   14   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   32   22   24                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   27    6                                                 
CONECT   27   26                                                      
CONECT   28   29    2                                                 
CONECT   29   28                                                      
CONECT   30   31   15                                                 
CONECT   31   30                                                      
CONECT   32   33   34   35   23                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D01BMX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.103  -1.774   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.103  -2.599   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.389  -3.012   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.674  -2.599   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.674  -1.774   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.389  -1.362   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.890  -2.854   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -0.405  -2.187   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.890  -1.520   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.635  -3.639   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.389  -0.537   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.218  -4.222   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.162  -3.852   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.635  -0.735   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.172  -0.564   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.427   0.221   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.125   0.834   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.932   0.662   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.187  -0.122   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.130   1.618   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.454   2.201   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.240   2.998   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1      -1.250   1.988   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       0.557   3.212   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.140   2.628   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.937   2.842   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.150   3.639   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.567   4.222   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.770   4.008   0.000  1.00  0.00           C  
HETATM   30 CL   UNL     1       2.947   3.852   0.000  1.00  0.00          Cl  
HETATM   31  C   UNL     1       2.520   2.259   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1       1.937   1.675   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       3.103   1.675   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       3.103   2.842   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   14                                            
CONECT   10    7   12   13                                            
CONECT   11    6                                                      
CONECT   12   10                                                      
CONECT   13   10                                                      
CONECT   14    9   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   24                                                 
CONECT   23   21                                                      
CONECT   24   22   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   31   25   27                                            
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27                                                      
CONECT   31   32   33   34   26                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D01BSX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.206  -0.358   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.206  -1.072   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.031  -1.072   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.444  -0.358   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.031   0.357   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.206   0.357   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.031  -0.358   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.856  -0.358   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.681  -0.358   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.094   0.357   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.919   0.357   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.331  -0.358   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.919  -1.072   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.094  -1.072   0.000  1.00  0.00           C  
HETATM   15 CL   UNL     1      -4.331   1.071   0.000  1.00  0.00          Cl  
HETATM   16  C   UNL     1       2.269  -0.358   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.681  -1.072   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.681   0.357   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.506   0.357   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.919  -0.358   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.919   1.071   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.331   0.357   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.266   1.072   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   11                                                      
CONECT   16    4   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19   23                                            
CONECT   19   18   20   21   22                                       
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   19                                                      
CONECT   23   18                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D01BXA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858   0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429   0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143   1.031   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.715  -0.619   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.715  -1.444   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.715   1.031   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.715   1.856   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.429   2.269   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.000   0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.715   1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.429   0.619   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.143   1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.143   1.856   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.429   2.269   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.715   1.856   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.429  -1.856   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.429  -2.681   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.715  -3.094   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.000  -2.681   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.000  -1.856   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.000   2.269   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1       0.000   3.094   0.000  1.00  0.00           F  
HETATM   26  O   UNL     1       1.429  -0.206   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       2.143  -0.619   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.858  -0.206   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       2.858   0.619   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7   19   23                                            
CONECT    9    5   10   12                                            
CONECT   10    9   11   24                                            
CONECT   11   10                                                      
CONECT   12    9   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15   26                                            
CONECT   15   14   16   29                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19    8   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22    8                                                 
CONECT   24   10   25                                                 
CONECT   25   24                                                      
CONECT   26   14   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   15                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D01BXV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1 BR   UNL     1      -1.786   0.000   0.000  1.00  0.00          Br  
HETATM    2  C   UNL     1      -1.072   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.357   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.357   0.412   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1       1.072   0.000   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1       1.786   0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.357  -0.825   0.000  1.00  0.00           C  
HETATM    8 BR   UNL     1       0.357  -1.238   0.000  1.00  0.00          Br  
HETATM    9  O   UNL     1       0.357   1.238   0.000  1.00  0.00           O  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5                                                      
CONECT    7    3    8                                                 
CONECT    8    7                                                      
CONECT    9    4                                                      
MASTER        0    0    0    0    0    0    0    0    9    0    9    0
END
M  END

$$$$
D01CCT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.340   1.500   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.340   0.675   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.626   0.262   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.911   0.675   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.911   1.500   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.626   1.912   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.197   0.262   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.482   0.675   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.232   0.262   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.947   0.675   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.700   0.339   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.252   0.952   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       1.840   1.667   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1       1.033   1.495   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       3.059   0.781   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.232  -0.563   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       3.314  -0.004   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.762  -0.617   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.017  -1.401   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.824  -1.573   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.376  -0.960   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.121  -0.175   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.055   1.912   0.000  1.00  0.00           N1+
HETATM   24  O   UNL     1      -4.055   2.737   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.769   1.500   0.000  1.00  0.00           O1-
HETATM   26  N   UNL     1       4.055  -2.325   0.000  1.00  0.00           N1+
HETATM   27  O   UNL     1       4.769  -2.737   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1       3.341  -2.737   0.000  1.00  0.00           O1-
CONECT    1    2    6   23                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   16                                            
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   12   17                                                 
CONECT   16    9                                                      
CONECT   17   15   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   26                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23    1   24   25                                            
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   20   27   28                                            
CONECT   27   26                                                      
CONECT   28   26                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D01CDK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.745  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.745  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.030  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.316  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.316  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.030   0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.398  -1.444   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.113  -1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.113  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.398   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.459   0.206   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.827  -1.444   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.542  -1.031   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       2.542  -0.206   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.827   0.206   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.155   0.346   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       2.819   1.099   0.000  1.00  0.00           N  
HETATM   18  N   UNL     1       1.999   1.013   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.827  -2.269   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.542  -2.681   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.399   1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.113   1.444   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.113   2.269   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.399   2.681   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.316   2.269   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.316   1.444   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -3.174  -0.206   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -2.459   1.031   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -3.256   0.420   0.000  1.00  0.00           F  
HETATM   30  C   UNL     1       3.256  -1.444   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.256  -2.269   0.000  1.00  0.00           C  
CONECT    1    2    6   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10   15                                            
CONECT   10    9    5   21                                            
CONECT   11    1   27   28   29                                       
CONECT   12    8   13   19                                            
CONECT   13   12   30                                                 
CONECT   14   15   16                                                 
CONECT   15   14    9   18                                            
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   15                                                 
CONECT   19   12   20                                                 
CONECT   20   19   31                                                 
CONECT   21   10   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   11                                                      
CONECT   28   11                                                      
CONECT   29   11                                                      
CONECT   30   13   31                                                 
CONECT   31   30   20                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D01CFL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.642   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.642  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.927  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.213  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.213   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.927   0.825   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.428  -0.667   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.057   0.000   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1      -0.428   0.667   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1       0.881   0.000   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.294  -0.715   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.119  -0.715   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.531   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.119   0.715   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.294   0.715   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       3.357   0.000   0.000  1.00  0.00           O  
HETATM   17 CL   UNL     1      -3.357  -0.825   0.000  1.00  0.00          Cl  
HETATM   18  O   UNL     1       2.531   1.429   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       2.531  -1.429   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       3.357   1.429   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.357  -1.429   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   17                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   19                                            
CONECT   13   12   14   16                                            
CONECT   14   13   15   18                                            
CONECT   15   14   10                                                 
CONECT   16   13                                                      
CONECT   17    2                                                      
CONECT   18   14   20                                                 
CONECT   19   12   21                                                 
CONECT   20   18                                                      
CONECT   21   19                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D01CJE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.337  -0.989   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.337  -1.814   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.622  -2.226   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.908  -1.814   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.908  -0.989   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.622  -0.576   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.622   0.249   0.000  1.00  0.00           C  
HETATM    8  S   UNL     1      -0.955   0.734   0.000  1.00  0.00           S  
HETATM    9  C   UNL     1      -1.210   1.518   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.035   1.518   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.290   0.734   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.074   0.479   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.725   2.186   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.060   2.939   0.000  1.00  0.00           C  
HETATM   15  F   UNL     1      -3.051  -0.576   0.000  1.00  0.00           F  
HETATM   16  N   UNL     1      -0.193  -2.226   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.521  -1.814   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.236  -2.226   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.950  -1.814   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.950  -0.989   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.236  -0.576   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.521  -0.989   0.000  1.00  0.00           C  
HETATM   23  S   UNL     1       2.662  -2.225   0.000  1.00  0.00           S  
HETATM   24  O   UNL     1       2.249  -2.939   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1       1.947  -1.812   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1       3.074  -1.510   0.000  1.00  0.00           N  
CONECT    1    2    6   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10    7   12                                            
CONECT   12   11                                                      
CONECT   13    9   14                                                 
CONECT   14   13                                                      
CONECT   15    1                                                      
CONECT   16    4   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   19   24   25   26                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D01CKB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.312  -0.164   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.725  -0.879   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.312  -1.593   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.487  -1.593   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.075  -0.879   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.487  -0.164   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -4.725   0.550   0.000  1.00  0.00          Cl  
HETATM    8  O   UNL     1      -3.075  -2.308   0.000  1.00  0.00           O  
HETATM    9  N   UNL     1      -2.250  -0.879   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.837  -0.164   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.012  -0.164   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1      -2.250   0.550   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.600   0.550   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.225   0.550   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.638   1.265   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.225   1.979   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.600   1.979   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.012   1.265   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.777  -0.063   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.531   0.273   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       1.445   1.093   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.058   1.645   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.842   1.390   0.000  1.00  0.00           C  
HETATM   24  H   UNL     1       1.261   1.859   0.000  1.00  0.00           H  
HETATM   25  H   UNL     1       1.844   2.442   0.000  1.00  0.00           H  
HETATM   26  C   UNL     1       3.014   0.583   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.798   0.328   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       4.412   0.880   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       4.240   1.687   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.455   1.942   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       4.725   2.355   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       4.240   3.022   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.455   2.767   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.487  -3.022   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    4   34                                                 
CONECT    9    5   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10   13                                                 
CONECT   12   10                                                      
CONECT   13   11   14   18                                            
CONECT   14   13   15   19                                            
CONECT   15   14   16   21                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   14   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   15   22                                            
CONECT   22   21   23   24   25                                       
CONECT   23   22   26   30                                            
CONECT   24   22                                                      
CONECT   25   22                                                      
CONECT   26   23   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29   23   33                                            
CONECT   31   29   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   30                                                 
CONECT   34    8                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D01CRX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.064  -0.770   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.064  -1.595   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.349  -2.007   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.635  -1.595   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.635  -0.770   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.349  -0.357   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.778  -0.357   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.080  -2.007   0.000  1.00  0.00           N  
HETATM    9  F   UNL     1      -1.349  -2.832   0.000  1.00  0.00           F  
HETATM   10  C   UNL     1       0.794  -1.595   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.080  -2.832   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.509  -2.007   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.223  -1.595   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.223  -0.770   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.509  -0.357   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.794  -0.770   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       3.008  -1.850   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       3.493  -1.182   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       3.008  -0.515   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       3.263  -2.634   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       1.509   0.468   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       0.794   0.880   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       0.080   0.468   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       0.794   1.705   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.207   2.420   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.382   2.420   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       1.921   2.832   0.000  1.00  0.00           F  
HETATM   28  N   UNL     1      -3.493   0.055   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    9                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1   28                                                 
CONECT    8    4   10   11                                            
CONECT    9    3                                                      
CONECT   10    8   12   16                                            
CONECT   11    8                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15   19                                            
CONECT   15   14   16   21                                            
CONECT   16   15   10                                                 
CONECT   17   13   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17                                                      
CONECT   21   15   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22                                                      
CONECT   24   25   26   22                                            
CONECT   25   24   26   27                                            
CONECT   26   25   24                                                 
CONECT   27   25                                                      
CONECT   28    7                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D01DBB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.787  -2.062   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -6.073  -1.650   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -5.359  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.644  -1.650   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -4.644  -0.825   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -5.359  -0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.073  -0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.930  -0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.215  -0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.501  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.501   0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.215   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.930   0.412   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.786   0.825   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.072   0.412   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.072  -0.412   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.357  -0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.357  -0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.357   0.412   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.357   0.825   0.000  1.00  0.00           N  
HETATM   21 CL   UNL     1       1.072  -0.825   0.000  1.00  0.00          Cl  
HETATM   22  N   UNL     1       1.072   0.825   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.786   0.412   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.501   0.825   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.215   0.412   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.930   0.825   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.930   1.650   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.215   2.062   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.501   1.650   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       4.644   0.412   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       5.359   0.825   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       6.073   0.412   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       5.359   1.650   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1       6.787   0.825   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1      -3.215   1.650   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1      -3.930   2.062   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    7                                                 
CONECT    7    6    2                                                 
CONECT    8    5    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13   35                                            
CONECT   13   12    8                                                 
CONECT   14   11   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20   22                                            
CONECT   20   19   15                                                 
CONECT   21   18                                                      
CONECT   22   19   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   26   31                                                 
CONECT   31   30   32   33                                            
CONECT   32   31   34                                                 
CONECT   33   31                                                      
CONECT   34   32                                                      
CONECT   35   12   36                                                 
CONECT   36   35                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D01DHT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.863  -0.387   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.450  -1.101   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.625  -1.101   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.213  -0.387   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.625   0.328   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.450   0.328   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.612  -0.387   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.025  -1.101   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.850  -1.101   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.262  -0.387   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.850   0.328   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.025   0.328   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.087  -0.387   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.500  -1.101   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.325  -1.101   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.737  -0.387   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.325   0.328   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.500   0.328   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       5.562  -0.387   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       5.975  -1.101   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       5.562  -1.816   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       6.800  -1.101   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.688  -0.387   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.173   0.281   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.957   0.026   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.957  -0.799   0.000  1.00  0.00           N  
HETATM   27  N   UNL     1      -3.173  -1.054   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -4.625   0.510   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.539   1.331   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.206   1.816   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.960   1.480   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.046   0.660   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.378   0.175   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1      -6.800   0.324   0.000  1.00  0.00           F  
CONECT    1    2    6   23                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20                                                      
CONECT   22   20                                                      
CONECT   23    1   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   23                                                 
CONECT   28   25   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   34                                            
CONECT   33   32   28                                                 
CONECT   34   32                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D01DJZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.870  -2.110   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.870  -2.935   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.156  -3.347   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.441  -2.935   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.441  -2.110   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.156  -1.697   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.657  -3.190   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.172  -2.522   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.657  -1.855   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       0.653  -2.522   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.585  -3.347   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.299  -2.935   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -3.585  -4.172   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -5.014  -3.347   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.402  -1.070   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.954  -0.457   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.405  -0.899   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.660  -0.114   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.699   0.328   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.251   0.941   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.058   0.769   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.313  -0.015   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.761  -0.628   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.467   0.058   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.722   0.842   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.170   1.455   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.363   1.284   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.108   0.499   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.476   1.178   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.389   1.998   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       1.582   2.170   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       1.247   2.923   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       0.426   3.010   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1       1.732   3.591   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1       2.552   3.505   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1       2.888   2.751   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.708   2.665   0.000  1.00  0.00           C  
HETATM   38  N   UNL     1       4.193   3.332   0.000  1.00  0.00           N  
HETATM   39  C   UNL     1       3.858   4.086   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       3.037   4.172   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       5.014   3.246   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5   15                                            
CONECT   10    8                                                      
CONECT   11    2   12   13                                            
CONECT   12   11   14                                                 
CONECT   13   11                                                      
CONECT   14   12                                                      
CONECT   15    9   16   17                                            
CONECT   16   15   19   23                                            
CONECT   17   15   18                                                 
CONECT   18   17   24   28                                            
CONECT   19   16   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   16                                                 
CONECT   24   18   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   18                                                 
CONECT   29   25   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26   32                                            
CONECT   32   31   33   34                                            
CONECT   33   32                                                      
CONECT   34   32   35                                                 
CONECT   35   34   36   40                                            
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39   41                                            
CONECT   39   38   40                                                 
CONECT   40   39   35                                                 
CONECT   41   38                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D01DNH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.107  -0.004   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.392   0.409   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.322  -0.004   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.037   0.409   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.751  -0.004   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.751  -0.829   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.466  -1.241   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.180  -0.829   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.180  -0.004   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.466   0.409   0.000  1.00  0.00           C  
HETATM   11  F   UNL     1       3.895   0.409   0.000  1.00  0.00           F  
HETATM   12  N   UNL     1       3.895  -1.241   0.000  1.00  0.00           N  
HETATM   13  F   UNL     1       2.466  -2.066   0.000  1.00  0.00           F  
HETATM   14  S   UNL     1       4.720  -1.241   0.000  1.00  0.00           S  
HETATM   15  C   UNL     1       5.545  -1.241   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       4.720  -0.416   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1       4.720  -2.066   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.037   1.234   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.392   1.234   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1      -1.860   0.332   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.412  -0.281   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1      -2.000  -0.996   0.000  1.00  0.00           S  
HETATM   23  C   UNL     1      -1.193  -0.824   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.233  -0.195   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.568   0.559   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.389   0.645   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.874  -0.022   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.538  -0.776   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.718  -0.862   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.724   1.399   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.239   2.066   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.545   1.485   0.000  1.00  0.00           C  
CONECT    1    2   20   23                                            
CONECT    2    1    3   19                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   18                                            
CONECT    5    4    6   10                                            
CONECT    6    5    7                                                 
CONECT    7    6    8   13                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9                                                      
CONECT   12    8   14                                                 
CONECT   13    7                                                      
CONECT   14   12   15   16   17                                       
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17   14                                                      
CONECT   18    4                                                      
CONECT   19    2                                                      
CONECT   20    1   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22    1                                                 
CONECT   24   21   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   26   31   32                                            
CONECT   31   30                                                      
CONECT   32   30                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D01DSL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.577   0.114   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.577  -0.712   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.862  -1.124   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.148  -0.712   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.148   0.114   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.862   0.526   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.433  -1.124   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.719  -0.712   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.719   0.114   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.433   0.526   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.004   0.526   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.004   1.351   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.719   1.764   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.433   1.351   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.190  -1.264   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.854  -2.017   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.034  -1.931   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.997  -1.092   0.000  1.00  0.00           O  
HETATM   19  H   UNL     1      -2.148  -1.536   0.000  1.00  0.00           H  
HETATM   20  C   UNL     1      -2.148   0.939   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.719   0.939   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.004  -0.299   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       0.710   0.114   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       0.710  -0.712   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.425  -1.124   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.004  -1.124   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       2.139  -0.712   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.853  -1.124   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.853  -1.949   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.568  -2.361   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.282  -1.949   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.282  -1.124   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.568  -0.712   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1       4.997  -2.361   0.000  1.00  0.00           F  
HETATM   35  O   UNL     1      -0.004   2.176   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1       0.792   1.565   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       0.380   2.279   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       1.006   2.361   0.000  1.00  0.00           C  
HETATM   39  O   UNL     1       1.507   1.152   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   15                                            
CONECT    3    2    4   17                                            
CONECT    4    3    5    7   19                                       
CONECT    5    4    6   10   20                                       
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   22                                            
CONECT    9    8   10   11   22                                       
CONECT   10    9    5   14   21                                       
CONECT   11    9   12   23                                            
CONECT   12   11   13   35   36                                       
CONECT   13   12   14   35                                            
CONECT   14   13   10   21                                            
CONECT   15    2   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16    3                                                 
CONECT   18   15                                                      
CONECT   19    4                                                      
CONECT   20    5                                                      
CONECT   21   14   10                                                 
CONECT   22    9    8                                                 
CONECT   23   11   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   27                                                 
CONECT   26   24                                                      
CONECT   27   25   28                                                 
CONECT   28   27   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34   31                                                      
CONECT   35   13   12                                                 
CONECT   36   12   37   38   39                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   36                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D01DWN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.561   0.550   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.347  -0.247   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.551  -0.460   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.967   0.123   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.181   0.920   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.978   1.134   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.143   0.080   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.152   0.850   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.489   1.369   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.376  -0.561   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.191  -0.432   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.486   0.338   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.967   0.979   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.181   1.776   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.597   2.360   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.200   2.146   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.347   0.610   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.561   1.406   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.978   1.990   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.080  -1.331   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       0.599  -1.972   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.735  -1.460   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.030  -2.231   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.845  -2.360   0.000  1.00  0.00           C  
HETATM   25  H   UNL     1       0.384   1.563   0.000  1.00  0.00           H  
HETATM   26  C   UNL     1       2.070  -0.245   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.856  -1.042   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9   13                                            
CONECT    9    8    5   16                                            
CONECT   10    7   11   20                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17   26                                       
CONECT   13   12    8   14   25                                       
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15    9                                                 
CONECT   17   12   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   10   21   22                                            
CONECT   21   20                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23                                                      
CONECT   25   13                                                      
CONECT   26   12   27                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D01DYO
  -OEChem-09301911192D

 52 55  0     1  0  0  0  0  0999 V2000
    7.7010   -2.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9961    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.0773    3.3479    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.3453    5.3479    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3453    4.3479    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.3453    4.3479    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8920   -2.5878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5100   -1.4122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1132   -1.1910    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.6132    1.3479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2888   -2.8090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7888   -4.3479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042   -0.2399    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6132    0.3479    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1132   -1.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4223   -0.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8532    0.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4793    1.8479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1100   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    1.0472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2888   -2.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590   -0.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    1.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9798   -3.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4793    2.8479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3453    1.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3453    3.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5978   -3.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2113    1.8479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2113    2.8479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7888   -5.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3453    4.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3658   -0.6783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1657    0.6293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5068   -1.3199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1780   -1.8076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9887   -0.4921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7323    0.2970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0763    1.6579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2389   -1.2065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1060    1.4621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6982   -0.7059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5653    1.9627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3901   -3.9517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9423    3.1579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3453    0.7279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1875   -3.9517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7482    1.5379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1688   -5.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7888   -5.9679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4088   -5.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  1 21  1  0  0  0  0
  2 27  1  0  0  0  0
  3 31  1  0  0  0  0
  4 33  1  0  0  0  0
  5 33  1  0  0  0  0
  6 33  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 14 10  1  1  0  0  0
 10 18  1  0  0  0  0
 10 40  1  0  0  0  0
 11 21  1  0  0  0  0
 11 29  2  0  0  0  0
 12 24  1  0  0  0  0
 12 29  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  1  6  0  0  0
 13 34  1  0  0  0  0
 14 16  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 25  2  0  0  0  0
 18 26  1  0  0  0  0
 19 22  1  0  0  0  0
 19 41  1  0  0  0  0
 20 23  2  0  0  0  0
 20 42  1  0  0  0  0
 21 24  2  0  0  0  0
 22 27  2  0  0  0  0
 22 43  1  0  0  0  0
 23 27  1  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 28  1  0  0  0  0
 25 46  1  0  0  0  0
 26 30  2  0  0  0  0
 26 47  1  0  0  0  0
 28 31  2  0  0  0  0
 28 33  1  0  0  0  0
 29 48  1  0  0  0  0
 30 31  1  0  0  0  0
 30 49  1  0  0  0  0
 32 50  1  0  0  0  0
 32 51  1  0  0  0  0
 32 52  1  0  0  0  0
M  END

$$$$
D01EBW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.494  -0.948   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.494  -1.773   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.780  -2.185   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.065  -1.773   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.065  -0.948   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.780  -0.535   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.351  -2.185   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.364  -1.773   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.364  -0.948   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.351  -0.535   0.000  1.00  0.00           C  
HETATM   11 CL   UNL     1      -3.209  -0.535   0.000  1.00  0.00          Cl  
HETATM   12  C   UNL     1      -1.780   0.290   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.065   0.702   0.000  1.00  0.00           N  
HETATM   14  O   UNL     1      -2.494   0.702   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.065   1.527   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.351   1.940   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.364   1.527   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.078   1.940   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.078   2.765   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.364   3.177   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.351   2.765   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.148   2.153   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1       1.078  -2.185   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.164  -3.006   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.971  -3.177   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.384  -2.463   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.832  -1.850   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       3.209  -2.463   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       1.792   1.527   0.000  1.00  0.00           C  
CONECT    1    2    6   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   12                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   23                                            
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    1                                                      
CONECT   12    6   13   14                                            
CONECT   13   12   15                                                 
CONECT   14   12                                                      
CONECT   15   13   16                                                 
CONECT   16   15   17   21   22                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   29                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   16                                                      
CONECT   23    8   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   23                                                 
CONECT   28   26                                                      
CONECT   29   18                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D01EGC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930  -1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930  -2.269   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215  -2.681   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501  -2.269   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501  -1.444   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.215  -1.031   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.215  -0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.786  -1.031   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.072  -1.444   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.357  -1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.786  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.072   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.786   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.501   1.031   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.357  -1.444   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.072  -1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.072  -0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.357   0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.357  -0.206   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.786   2.269   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.072   2.681   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.357   1.444   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.357   2.269   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.786   0.206   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       1.786   1.031   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       2.501  -0.206   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       3.215   0.206   0.000  1.00  0.00           N  
HETATM   30  O   UNL     1       3.930  -0.206   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7   12   16                                            
CONECT    9    5   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   17   21                                            
CONECT   12    8   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   24                                            
CONECT   15   14   16   22                                            
CONECT   16   15    8                                                 
CONECT   17   11   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   26                                            
CONECT   20   19   21                                                 
CONECT   21   20   11                                                 
CONECT   22   15   23                                                 
CONECT   23   22                                                      
CONECT   24   14   25                                                 
CONECT   25   24                                                      
CONECT   26   19   27   28                                            
CONECT   27   26                                                      
CONECT   28   26   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D01EHZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215  -0.412   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.215  -1.238   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.501  -1.650   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.786  -1.238   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.786  -0.412   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.501   0.000   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.072   0.000   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.357  -0.412   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       0.357   0.000   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.072   0.825   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.930  -1.650   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.644  -1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.930  -2.475   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.072  -0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.786   0.000   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.786   0.825   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.072   1.238   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.357   0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.501   1.238   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       3.215   0.825   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1       3.930   1.238   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       3.930   2.062   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.215   2.475   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.501   2.062   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.644   0.825   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       4.644   2.475   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8   14   18                                            
CONECT   10    7                                                      
CONECT   11    2   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14    9   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17    9                                                 
CONECT   19   16   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   21                                                      
CONECT   26   22                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D01EKS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.841   0.825   0.000  1.00  0.00           C  
HETATM    2  O   UNL     1      -1.841   1.650   0.000  1.00  0.00           O  
HETATM    3  N   UNL     1      -1.126   0.412   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.126  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.412  -0.825   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       0.302  -0.412   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       0.302   0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.412   0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.017  -0.825   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       1.017  -1.650   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.731  -0.412   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.446  -0.825   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       3.160  -0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.875  -0.825   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       3.160   0.412   0.000  1.00  0.00           O  
HETATM   16 BR   UNL     1       4.589  -0.412   0.000  1.00  0.00          Br  
HETATM   17  C   UNL     1      -4.177   0.375   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.589  -0.339   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.796  -0.112   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.998  -0.339   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.585   0.375   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.379   0.149   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.177   1.200   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.585   1.200   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.462   1.613   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.796   0.713   0.000  1.00  0.00           C  
CONECT    1    2    3   21                                            
CONECT    2    1                                                      
CONECT    3    1    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7    9                                            
CONECT    7    6    8                                                 
CONECT    8    7    3                                                 
CONECT    9    6   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13   16                                                 
CONECT   15   13                                                      
CONECT   16   14                                                      
CONECT   17   18   22   23                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   26                                            
CONECT   20   19   21                                                 
CONECT   21   20   22    1   24                                       
CONECT   22   21   17                                                 
CONECT   23   17   25                                                 
CONECT   24   21   25                                                 
CONECT   25   23   24   26                                            
CONECT   26   19   25                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D01ENV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.419   0.496   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.419  -0.329   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.296  -0.742   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.010  -0.329   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.010   0.496   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.296   0.908   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.725   0.908   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       2.439   0.496   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1       1.725   1.734   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.133  -0.742   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.848  -0.329   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.562  -0.742   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       3.154   0.908   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.868   0.496   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.316  -0.406   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.868  -1.019   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.455  -1.734   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.648  -1.562   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   13                                                 
CONECT    9    7                                                      
CONECT   10    2   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   15   18                                            
CONECT   13    8   14                                                 
CONECT   14   13                                                      
CONECT   15   12   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   12                                                 
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D01ERV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.797   0.227   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.583  -0.570   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.786  -0.783   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.203  -0.200   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.416   0.597   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.213   0.811   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.412  -1.518   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.597  -1.389   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.468  -0.574   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.013  -1.973   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.733  -0.200   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.041  -0.649   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.306  -0.275   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.386  -0.724   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.121  -0.349   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.343  -1.548   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.813  -0.799   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.548  -0.424   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.591   0.400   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.900   0.849   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.164   0.474   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.326   0.774   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       4.018   0.325   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.753   0.699   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       4.797   1.523   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       4.105   1.973   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.370   1.598   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    4   11                                            
CONECT   10    8                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   17   21                                            
CONECT   16   14                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   15                                                 
CONECT   22   19   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D01EUT
  -OEChem-09301911192D

 56 59  0     0  0  0  0  0  0999 V2000
    8.6330   -1.9058    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8305    0.1304    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4684   -3.3147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.0373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4128    0.8349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347    1.0428    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.5373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6595    4.4003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8195   -0.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    1.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2318   -0.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2437    2.4440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9073    1.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6385   -1.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2372   -0.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0507   -2.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6494   -1.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0562   -2.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4516    3.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8751   -4.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2874   -5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2502   -0.5247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3335    0.2680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9721    1.1888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5239    1.8702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8425    2.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3029   -3.1766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0328   -1.5274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.6573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.3473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3058   -4.6743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3891   -3.8816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7858   -4.6729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9229   -5.5389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7889   -5.4017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.8473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    5.0373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.6573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    5.0373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.7727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 23  1  0  0  0  0
  3 28  1  0  0  0  0
  4 26  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 16  2  0  0  0  0
  7 20  1  0  0  0  0
  7 24  2  0  0  0  0
  8 20  2  0  0  0  0
  8 27  1  0  0  0  0
  9 24  1  0  0  0  0
  9 29  1  0  0  0  0
  9 44  1  0  0  0  0
 10 25  3  0  0  0  0
 11 34  2  0  0  0  0
 11 35  1  0  0  0  0
 12 14  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 15  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 16 20  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 43  1  0  0  0  0
 28 30  1  0  0  0  0
 28 45  1  0  0  0  0
 28 46  1  0  0  0  0
 29 31  2  0  0  0  0
 29 32  1  0  0  0  0
 30 47  1  0  0  0  0
 30 48  1  0  0  0  0
 30 49  1  0  0  0  0
 31 34  1  0  0  0  0
 31 50  1  0  0  0  0
 32 35  2  0  0  0  0
 32 51  1  0  0  0  0
 33 52  1  0  0  0  0
 33 53  1  0  0  0  0
 33 54  1  0  0  0  0
 34 55  1  0  0  0  0
 35 56  1  0  0  0  0
M  END

$$$$
D01EVP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429   0.206   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.858  -1.444   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.000   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.715  -0.206   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       0.000  -1.444   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.429   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.000   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.143  -0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.858   0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.858   1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.143   1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.429   1.031   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9   12                                            
CONECT    9    8   11                                                 
CONECT   10    4                                                      
CONECT   11    9   13   17                                            
CONECT   12    8                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   11                                                 
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D01EYJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.394  -1.367   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.394  -2.192   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.321  -2.605   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.035  -2.192   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.035  -1.367   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.321  -0.955   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.750  -0.955   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.750  -0.130   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.035   0.283   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.321  -0.130   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.333  -1.538   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.119  -2.335   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1       2.464   0.283   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1       0.864   1.090   0.000  1.00  0.00           N  
HETATM   15  N   UNL     1       0.043   1.176   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.293   0.422   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.369   1.890   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.043   2.605   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.868   2.605   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.693   2.605   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.194   1.890   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.679   2.558   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.464   2.303   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.464   1.478   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.679   1.223   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   12                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1   10                                            
CONECT    7    5    8   11                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10   14                                            
CONECT   10    9    6   16                                            
CONECT   11    7   12                                                 
CONECT   12   11    4                                                 
CONECT   13    8                                                      
CONECT   14    9   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   10                                                 
CONECT   17   15   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19                                                      
CONECT   21   17   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D01FMW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.296   0.783   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.296  -0.042   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.582  -0.455   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.133  -0.042   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.133   0.783   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.582   1.195   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.081   1.038   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.566   0.370   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.081  -0.297   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.847  -0.455   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.933  -1.275   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.740  -1.447   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.153  -0.732   0.000  1.00  0.00           C  
HETATM   14  S   UNL     1       1.601  -0.119   0.000  1.00  0.00           S  
HETATM   15  C   UNL     1       2.076  -2.200   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.973  -0.646   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.309   0.108   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       3.458  -1.313   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.458   2.200   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.287   1.393   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.502   1.139   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.582   2.020   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       0.243   2.020   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   22                                            
CONECT    7    1    8   21                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    4   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14   16                                            
CONECT   14   13   10                                                 
CONECT   15   12                                                      
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19   20                                                      
CONECT   20   19   21                                                 
CONECT   21    7   20                                                 
CONECT   22    6   23                                                 
CONECT   23   22                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D01FRI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.274   0.473   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.274  -0.352   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.560  -0.764   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.845  -0.352   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.845   0.473   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.560   0.886   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.059   0.728   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.544   0.061   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -5.059  -0.607   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -5.314   1.513   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.121   1.684   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -6.673   1.071   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -7.480   1.243   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.032   0.630   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -7.735   2.028   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1      -2.131   0.886   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.416   0.473   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.702   0.886   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1      -1.416  -0.352   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       0.013   0.473   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       5.246   0.887   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       6.035   0.644   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       6.219  -0.160   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       7.008  -0.402   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       7.612   0.160   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       7.428   0.964   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       6.639   1.206   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.615  -0.722   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.800  -1.526   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       6.588  -1.768   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       7.193  -1.206   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       8.032   1.526   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       7.847   2.330   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       7.058   2.572   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       6.454   2.010   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       0.727   0.886   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       1.442   0.473   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       2.156   0.886   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       2.871   0.473   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       3.585   0.886   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       4.300   0.473   0.000  1.00  0.00           C  
HETATM   42 CL   UNL     1       6.773  -2.572   0.000  1.00  0.00          Cl  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   16                                            
CONECT    6    5    1                                                 
CONECT    7    1    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    7   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16    5   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   20                                                 
CONECT   19   17                                                      
CONECT   20   18   36                                                 
CONECT   21   22   41                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24   28                                            
CONECT   24   23   25   31                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   32                                            
CONECT   27   26   22   35                                            
CONECT   28   23   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   42                                            
CONECT   31   30   24                                                 
CONECT   32   26   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   27                                                 
CONECT   36   20   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41                                                 
CONECT   41   40   21                                                 
CONECT   42   30                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D01FTR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.162   0.726   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.162  -0.099   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.448  -0.511   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.733  -0.099   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.733   0.726   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.448   1.139   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.448   1.964   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.733   2.376   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.019   1.964   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.304   2.376   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.304   3.201   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.019   3.614   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.733   3.201   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1       0.410   1.964   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.496   1.143   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.303   0.972   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.716   1.686   0.000  1.00  0.00           N  
HETATM   18  N   UNL     1       1.164   2.299   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.056   0.530   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.199  -0.255   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.006  -0.426   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.558   0.187   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.365   0.015   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.448  -1.336   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.162  -1.749   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1      -1.733  -1.749   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.733  -2.574   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.019  -2.986   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -0.304  -2.574   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -0.304  -1.749   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.019  -1.337   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.480  -2.829   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       0.965  -2.161   0.000  1.00  0.00           N  
HETATM   34  N   UNL     1       0.480  -1.494   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       0.735  -3.614   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.620  -0.769   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.162  -0.198   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       3.080   0.428   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   24                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15   18                                            
CONECT   15   14   16   19                                            
CONECT   16   15   17   22                                            
CONECT   17   16   18                                                 
CONECT   18   17   14                                                 
CONECT   19   15   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   16   23                                            
CONECT   23   22   36   37   38                                       
CONECT   24    3   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31   34                                            
CONECT   31   30   26                                                 
CONECT   32   29   33   35                                            
CONECT   33   32   34                                                 
CONECT   34   33   30                                                 
CONECT   35   32                                                      
CONECT   36   23                                                      
CONECT   37   23                                                      
CONECT   38   23                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D01FVC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.173  -0.394   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.173  -1.219   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.459  -1.631   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.744  -1.219   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.744  -0.394   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.459   0.019   0.000  1.00  0.00           C  
HETATM    7  CA  UNL     1      -3.030   0.019   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.030   0.844   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.744   1.256   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1      -2.315  -0.394   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.601   0.019   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.887  -0.394   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.172   0.019   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.172   0.844   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.887   1.256   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.601   0.844   0.000  1.00  0.00           C  
HETATM   17 CL   UNL     1      -2.315   1.256   0.000  1.00  0.00          Cl  
HETATM   18  N   UNL     1       0.542  -0.394   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.257   0.019   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.011  -0.317   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.563   0.296   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1       2.150   1.011   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.343   0.839   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.383   0.210   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.868   0.878   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       4.688   0.791   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       5.173   1.459   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       3.532   1.631   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8                                                      
CONECT   10    7   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11   17                                            
CONECT   17   16                                                      
CONECT   18   13   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   19                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26                                                      
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END

$$$$

$$$$

$$$$
D01GCI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.324   1.457   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.324   0.632   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.609   0.219   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.895   0.632   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.895   1.457   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.609   1.869   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -6.038   1.869   0.000  1.00  0.00          Cl  
HETATM    8  N   UNL     1      -3.250   0.117   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.446   0.301   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.088   1.044   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.446   1.788   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.250   1.971   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.270   1.155   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.123   1.967   0.000  1.00  0.00           N  
HETATM   15  N   UNL     1      -1.849   2.358   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.849   3.183   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.250  -0.708   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.535  -1.120   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.964  -1.120   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.535  -1.945   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.821  -2.358   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.106  -1.945   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.106  -1.120   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.821  -0.708   0.000  1.00  0.00           C  
HETATM   25 CL   UNL     1      -1.821  -3.183   0.000  1.00  0.00          Cl  
HETATM   26  C   UNL     1      -0.392  -2.358   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       0.323  -1.945   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       1.037  -2.358   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.751  -1.945   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       1.037  -3.183   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       2.466  -2.358   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.180  -1.945   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       3.180  -1.120   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1       2.466  -0.708   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.751  -1.120   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.895  -0.708   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.609  -1.120   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       5.324  -0.708   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       6.038  -0.295   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       4.911   0.007   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       5.736  -1.422   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6   12                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    4    9   17                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12   15                                            
CONECT   12   11    5                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   11   16                                            
CONECT   16   15                                                      
CONECT   17    8   18   19                                            
CONECT   18   17   20   24                                            
CONECT   19   17                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
CONECT   25   21                                                      
CONECT   26   22   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28   31   35                                            
CONECT   30   28                                                      
CONECT   31   29   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   36                                            
CONECT   34   33   35                                                 
CONECT   35   34   29                                                 
CONECT   36   33   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39   40   41                                       
CONECT   39   38                                                      
CONECT   40   38                                                      
CONECT   41   38                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D01GEK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.338   1.582   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.338   0.757   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.052   0.344   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       2.767   0.757   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.767   1.582   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.052   1.994   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.623   0.344   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.091   0.757   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.806   0.344   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.091   1.582   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1      -1.559   0.680   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.111   0.067   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.699  -0.648   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.892  -0.476   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.937   0.067   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.349  -0.648   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.937  -1.362   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.111  -1.362   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.349  -2.077   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.731   1.487   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.528   1.700   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.741   2.497   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.538   2.711   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.122   2.127   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.908   1.331   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.111   1.117   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -4.492   0.747   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -4.174  -2.077   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -2.937  -2.791   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -3.761  -2.791   0.000  1.00  0.00           F  
HETATM   31  N   UNL     1       3.481   1.994   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       4.278   1.781   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.492   2.578   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.695   2.791   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   31                                            
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8   11   14                                            
CONECT   10    8                                                      
CONECT   11    9   12   20                                            
CONECT   12   11   13   15                                            
CONECT   13   12   14   18                                            
CONECT   14   13    9                                                 
CONECT   15   12   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   13                                                 
CONECT   19   17   28   29   30                                       
CONECT   20   11   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   21                                                 
CONECT   27   25                                                      
CONECT   28   19                                                      
CONECT   29   19                                                      
CONECT   30   19                                                      
CONECT   31    5   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   31                                                 
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D01GFH
  -OEChem-09301911272D

 23 24  0     0  0  0  0  0  0999 V2000
    6.3092    1.1500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -0.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0934    2.5818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6456    0.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8366    1.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    2.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.0008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.3105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.7718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0669    2.6870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.3918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.3918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 18  1  0  0  0  0
 10 14  2  0  0  0  0
 10 19  1  0  0  0  0
 11 12  2  0  0  0  0
 12 20  1  0  0  0  0
 13 15  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
M  END

$$$$
D01GNL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.635   1.552   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.635   0.727   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.080   0.314   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.794   0.727   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.794   1.552   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.080   1.964   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       0.080   2.789   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.349   1.964   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.064   1.552   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.349   2.789   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.064   3.202   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.635   3.202   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.080  -0.511   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.588  -0.996   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.333  -1.780   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.492  -1.780   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       0.747  -0.996   0.000  1.00  0.00           N  
HETATM   18  N   UNL     1       1.579   0.472   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1       2.064   1.139   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.579   1.807   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       1.834   2.591   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       0.977  -2.448   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.818  -2.448   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.638  -2.362   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.482  -3.202   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.153  -1.694   0.000  1.00  0.00           O  
CONECT    1    2    6    8                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   13                                            
CONECT    4    3    5   18                                            
CONECT    5    4    6   20                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    9   10    1                                            
CONECT    9    8                                                      
CONECT   10    8   11   12                                            
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13    3   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   23                                            
CONECT   16   15   17   22                                            
CONECT   17   16   13                                                 
CONECT   18    4   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19    5   21                                            
CONECT   21   20                                                      
CONECT   22   16                                                      
CONECT   23   15   24   25   26                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D01GON
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.705   0.413   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.705  -0.409   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.993  -0.820   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.281  -0.409   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.993   0.824   0.000  1.00  0.00           C  
HETATM    6  S   UNL     1      -3.569   0.824   0.000  1.00  0.00           S  
HETATM    7  C   UNL     1      -3.569   1.646   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.281   2.058   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.993   1.646   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.569  -0.820   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.857  -0.409   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.857   0.413   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.145  -0.820   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.433  -0.409   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.721  -0.820   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.009  -0.409   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.703  -0.820   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.196   0.611   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1      -3.569  -1.642   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1      -1.433   0.413   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1       0.703  -1.642   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.721  -1.642   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.433  -2.053   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.009  -2.053   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.993  -1.642   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.418  -0.407   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.132  -0.820   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.132  -1.645   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.847  -2.058   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.561  -1.645   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.561  -0.820   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.847  -0.407   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.276  -2.058   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.990  -1.645   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       5.705  -2.058   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       1.418   0.417   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.990  -0.820   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   25                                            
CONECT    4    3   10                                                 
CONECT    5    1    9   18                                            
CONECT    6    7   12                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    4   11   19                                            
CONECT   11   10   12   13                                            
CONECT   12   11    6                                                 
CONECT   13   11   14                                                 
CONECT   14   13   15   20                                            
CONECT   15   14   16   22                                            
CONECT   16   15   17                                                 
CONECT   17   16   21   26                                            
CONECT   18    5                                                      
CONECT   19   10                                                      
CONECT   20   14                                                      
CONECT   21   17                                                      
CONECT   22   15   23   24                                            
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25    3                                                      
CONECT   26   17   27   36                                            
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   30   34                                                 
CONECT   34   33   35   37                                            
CONECT   35   34                                                      
CONECT   36   26                                                      
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D01GOO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.093  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.093  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.378  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.664  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.664  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.378   0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.051  -1.444   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.765  -1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.765  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.051   0.206   0.000  1.00  0.00           C  
HETATM   11 CL   UNL     1      -2.807   0.206   0.000  1.00  0.00          Cl  
HETATM   12  N   UNL     1       1.480  -1.444   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.194  -1.031   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       2.194  -0.206   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.480   0.206   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.807   0.346   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       2.471   1.099   0.000  1.00  0.00           N  
HETATM   18  N   UNL     1       1.651   1.013   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.480  -2.269   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.194  -2.681   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.051   1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.765   1.444   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.765   2.269   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.051   2.681   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.664   2.269   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.664   1.444   0.000  1.00  0.00           C  
CONECT    1    2    6   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10   15                                            
CONECT   10    9    5   21                                            
CONECT   11    1                                                      
CONECT   12    8   13   19                                            
CONECT   13   12                                                      
CONECT   14   15   16                                                 
CONECT   15   14    9   18                                            
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   15                                                 
CONECT   19   12   20                                                 
CONECT   20   19                                                      
CONECT   21   10   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D01GSU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.768   2.062   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.768   1.238   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.054   0.825   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.660   1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.660   2.062   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.054   2.475   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.375   0.825   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.375   0.000   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.483   0.825   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.483   0.000   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.197  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.197  -1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.483  -1.650   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.768  -1.238   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.768  -0.412   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.483  -2.475   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       0.791  -0.583   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.375  -1.167   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.958  -0.583   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1       0.791  -1.750   0.000  1.00  0.00           F  
HETATM   21  F   UNL     1       1.958  -1.750   0.000  1.00  0.00           F  
HETATM   22  C   UNL     1       1.373   2.475   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.197   2.475   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   22                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7   17   19                                            
CONECT    9    2   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13                                                      
CONECT   17    8   18                                                 
CONECT   18   17   19   20   21                                       
CONECT   19   18    8                                                 
CONECT   20   18                                                      
CONECT   21   18                                                      
CONECT   22    5   23                                                 
CONECT   23   22                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D01GTU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.214  -0.811   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.214  -1.636   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.500  -2.049   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.785  -1.636   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.785  -0.811   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.500  -0.399   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.071  -2.049   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.356  -1.636   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.356  -0.811   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.071  -0.399   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.358  -0.399   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.358   0.427   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.356   0.839   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.071   0.427   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.073  -0.811   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.787  -0.399   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.787   0.427   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.073   0.839   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.502   0.839   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.502   1.664   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.787   2.077   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.073   1.664   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.929  -2.049   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.785   0.014   0.000  1.00  0.00           C  
HETATM   25  H   UNL     1      -1.785  -2.461   0.000  1.00  0.00           H  
HETATM   26  O   UNL     1      -0.356   1.664   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.356   0.014   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.358  -1.224   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.502   0.014   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       3.216   0.427   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       2.502  -0.811   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       1.574   2.873   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.001   2.873   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.930   0.014   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.500  -2.873   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.930  -0.399   0.000  1.00  0.00           C  
HETATM   37  N   UNL     1      -1.493  -0.399   0.000  1.00  0.00           N  
CONECT    1    2    6   36                                            
CONECT    2    1    3   23                                            
CONECT    3    2    4   35                                            
CONECT    4    3    5    7   25                                       
CONECT    5    4    6   10   24                                       
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11   27                                       
CONECT   10    9    5   14                                            
CONECT   11    9   12   15   28                                       
CONECT   12   11   13   18                                            
CONECT   13   12   14   26                                            
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19   29                                       
CONECT   18   17   12   22                                            
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   32   33                                       
CONECT   22   21   18                                                 
CONECT   23    2                                                      
CONECT   24    5                                                      
CONECT   25    4                                                      
CONECT   26   13                                                      
CONECT   27    9                                                      
CONECT   28   11                                                      
CONECT   29   17   30   31                                            
CONECT   30   29   34                                                 
CONECT   31   29                                                      
CONECT   32   21                                                      
CONECT   33   21                                                      
CONECT   34   30                                                      
CONECT   35    3                                                      
CONECT   36   37    1                                                 
CONECT   37   36                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D01GWS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.866  -1.117   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.866  -1.942   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.151  -2.354   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.437  -1.942   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.437  -1.117   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.151  -0.704   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.651  -0.862   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.135  -1.529   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.651  -2.197   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.151   0.121   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.437   0.533   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1      -1.866   0.533   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.437   1.358   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.278   1.771   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.278   2.596   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.437   3.008   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.861   3.179   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.074   2.382   0.000  1.00  0.00           O  
HETATM   19  N   UNL     1       0.278  -0.704   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       0.992  -1.117   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.151  -3.179   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       0.278  -2.354   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.992  -1.942   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.706  -2.354   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.421  -1.942   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.421  -1.117   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.706  -0.704   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1       1.706   0.121   0.000  1.00  0.00           F  
HETATM   29  I   UNL     1       3.135  -2.354   0.000  1.00  0.00           I  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   21                                            
CONECT    4    3    5   22                                            
CONECT    5    4    6   19                                            
CONECT    6    5    1   10                                            
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    6   11   12                                            
CONECT   11   10   13                                                 
CONECT   12   10                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17   18                                       
CONECT   16   15                                                      
CONECT   17   15                                                      
CONECT   18   15                                                      
CONECT   19    5   20                                                 
CONECT   20   19   23   27                                            
CONECT   21    3                                                      
CONECT   22    4                                                      
CONECT   23   20   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   20   28                                            
CONECT   28   27                                                      
CONECT   29   25                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D01HED
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.099   0.981   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.099   0.156   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.814  -0.256   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.528   0.156   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.528   0.981   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.814   1.394   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.385  -0.256   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.330   0.156   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.330   0.981   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.044   1.394   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.758   0.981   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.758   0.156   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.044  -0.256   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.526  -0.145   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.770  -0.933   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.305  -1.615   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.482  -1.677   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.921  -1.072   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.717  -2.329   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.542  -2.329   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.955  -3.044   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.542  -3.758   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.717  -3.758   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.305  -3.044   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.480  -3.044   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1      -0.655  -3.044   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1      -1.480  -2.219   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -1.480  -3.869   0.000  1.00  0.00           F  
HETATM   29  N   UNL     1      -1.044   2.219   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -0.330   2.631   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.330   3.456   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.044   3.869   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.758   3.456   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.758   2.631   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.240   1.394   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1       2.828   2.108   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1       3.955   1.806   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1       3.653   0.679   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   35                                            
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   29                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    8   18                                            
CONECT   14   12   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19   25                                            
CONECT   25   24   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
CONECT   29   10   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35    5   36   37   38                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D01HJQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.657   2.142   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.073   1.429   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.663   0.713   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.838   0.709   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.423   1.422   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.832   2.138   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.429  -0.007   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.604  -0.010   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.844  -0.720   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.669  -0.716   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.085  -1.429   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.675  -2.145   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.850  -2.149   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.435  -1.436   0.000  1.00  0.00           C  
HETATM   15 CL   UNL     1      -5.067   2.858   0.000  1.00  0.00          Cl  
HETATM   16 CL   UNL     1      -5.091  -2.858   0.000  1.00  0.00          Cl  
HETATM   17  C   UNL     1      -2.023  -0.596   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.437  -0.010   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.023   0.575   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.612  -0.010   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.200   0.704   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.200  -0.725   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.625   0.704   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.038   1.419   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.625   2.133   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.200   2.133   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.612   1.419   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1      -0.612   2.848   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1       1.863   1.419   0.000  1.00  0.00           F  
HETATM   30  O   UNL     1      -0.612  -1.439   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       0.625  -0.725   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.038  -1.439   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       1.863  -1.439   0.000  1.00  0.00           N  
HETATM   34  O   UNL     1       0.625  -2.154   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       2.276  -2.154   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.100  -2.154   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1       3.513  -1.439   0.000  1.00  0.00           O  
HETATM   38  O   UNL     1       3.662  -2.303   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1       5.091  -2.303   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       4.376  -2.716   0.000  1.00  0.00           C  
CONECT    1    2    6   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   17   19                                            
CONECT    9    7   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    1                                                      
CONECT   16   12                                                      
CONECT   17    8   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18    8                                                 
CONECT   20   18   21   22                                            
CONECT   21   20   23   27                                            
CONECT   22   20   30   31                                            
CONECT   23   21   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   21                                                 
CONECT   28   26                                                      
CONECT   29   24                                                      
CONECT   30   22                                                      
CONECT   31   22   32                                                 
CONECT   32   31   33   34                                            
CONECT   33   32   35                                                 
CONECT   34   32                                                      
CONECT   35   33   36                                                 
CONECT   36   35   37   38                                            
CONECT   37   36                                                      
CONECT   38   36   40                                                 
CONECT   39   40                                                      
CONECT   40   38   39                                                 
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D01IJA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572  -0.825   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.572  -1.650   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.858  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143  -1.650   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.143  -0.825   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.858  -0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.715  -0.825   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.429   0.412   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.287  -2.062   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.001  -1.650   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.287  -2.888   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.715  -0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.429  -0.412   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.429   0.412   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.715   0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.000   0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.143   0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.858   0.412   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.572   0.825   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       3.572   1.650   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.858   2.062   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.143   1.650   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.287   2.062   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       5.001   1.650   0.000  1.00  0.00           N  
HETATM   27  O   UNL     1       4.287   2.888   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8   14   18                                            
CONECT   10    7                                                      
CONECT   11    2   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14    9   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17    9                                                 
CONECT   19   16   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22   26   27                                            
CONECT   26   25                                                      
CONECT   27   25                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D01IJO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -5.032   1.023   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.445   0.309   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.893  -0.304   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.139   0.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.225   0.852   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.368   1.777   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -3.425  -0.381   0.000  1.00  0.00           S  
HETATM    8  O   UNL     1      -3.012   0.333   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1      -3.837  -1.096   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1      -2.710  -0.794   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.996  -0.381   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.281  -0.794   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.567  -0.381   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.148  -0.794   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.148  -1.619   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.862  -2.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.577  -1.619   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.577  -0.794   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.862  -0.381   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.975   0.381   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.261   0.794   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.261   1.619   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.546   2.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.168   1.619   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.168   0.794   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.546   0.381   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.291  -2.031   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.006  -1.619   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.006  -0.794   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.291  -0.381   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.720  -0.381   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       4.434  -0.794   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       4.648  -1.590   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       5.445  -1.377   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       5.231  -0.580   0.000  1.00  0.00           C  
CONECT    1    2    5    6                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    1                                                 
CONECT    6    1                                                      
CONECT    7    4    8    9   10                                       
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    7   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   27                                            
CONECT   18   17   19   30                                            
CONECT   19   18   14                                                 
CONECT   20   21   30                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   17   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29   18   20                                            
CONECT   31   29   32                                                 
CONECT   32   31   33   35                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   32                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D01IOH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.091   0.286   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.844  -0.050   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.758  -0.871   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.951  -1.042   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.538  -1.756   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.714  -1.756   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.301  -1.042   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.714  -0.328   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.538  -0.328   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.576   0.330   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.736   1.139   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.202   1.756   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.378   1.756   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.883   1.084   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.524  -1.042   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.936  -1.756   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1       0.936  -0.328   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1      -4.237  -0.165   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.999  -1.042   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.174  -1.042   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.762  -0.328   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.174   0.387   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.999   0.387   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       3.412  -0.328   0.000  1.00  0.00           N  
HETATM   25  O   UNL     1       3.412  -1.756   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       4.237  -1.756   0.000  1.00  0.00           C  
CONECT    1    2    9   14                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    8   15                                            
CONECT    8    7    9                                                 
CONECT    9    8    1    4                                            
CONECT   10   11    2   18                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    1                                                 
CONECT   15   16   17    7                                            
CONECT   16   15                                                      
CONECT   17   15   21                                                 
CONECT   18   10                                                      
CONECT   19   20   24   25                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   17                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   26   19                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D01IRA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.882  -0.947   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.882  -1.772   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.167  -2.184   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.453  -1.772   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.453  -0.947   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.167  -0.534   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.668  -2.027   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -0.183  -1.359   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.668  -0.692   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.167   0.291   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.413   0.093   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.371   0.348   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.371   1.173   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -0.413   1.428   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.898   0.760   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.039  -0.137   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.039   1.658   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.953  -0.958   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.620  -1.442   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.374  -1.107   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.460  -0.286   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.792   0.198   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.041  -1.592   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.413  -2.811   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.377  -2.346   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.862  -1.678   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.500   0.776   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.755   1.560   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.580   1.560   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.835   0.776   0.000  1.00  0.00           C  
HETATM   31  S   UNL     1      -3.065   2.228   0.000  1.00  0.00           S  
HETATM   32  O   UNL     1      -3.648   2.811   0.000  1.00  0.00           O  
HETATM   33  O   UNL     1      -2.481   2.811   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1      -3.862   2.014   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8   24                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   11                                            
CONECT   10    6   27   30                                            
CONECT   11    9   12   15                                            
CONECT   12   11   13   16                                            
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16   12   18   22                                            
CONECT   17   13                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   16                                                 
CONECT   23   20   25   26                                            
CONECT   24    7                                                      
CONECT   25   23   26                                                 
CONECT   26   25   23                                                 
CONECT   27   10   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29   10                                                 
CONECT   31   29   32   33   34                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D01ITP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.072  -0.996   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.072  -1.821   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.357  -2.234   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.357  -1.821   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.357  -0.996   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.357  -0.584   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       1.072  -2.234   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.786  -1.821   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.786  -0.996   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.072  -0.584   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.786  -2.234   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.529   0.223   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.349   0.309   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -1.685  -0.444   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.023   0.836   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.830   0.665   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.382   1.278   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.127   2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.320   2.234   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.232   1.621   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1      -1.039   1.792   0.000  1.00  0.00          Cl  
HETATM   22  O   UNL     1       1.072   0.241   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.786   0.654   0.000  1.00  0.00           C  
CONECT    1    2    6   14                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   12                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   22                                            
CONECT   11    2                                                      
CONECT   12    6   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    1                                                 
CONECT   15   12   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
CONECT   22   10   23                                                 
CONECT   23   22                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D01IVR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.744   1.069   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.154   0.353   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.740  -0.360   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.915  -0.358   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.505   0.357   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.919   1.071   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -5.151  -1.076   0.000  1.00  0.00          Cl  
HETATM    8  O   UNL     1      -3.508   1.786   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.683   1.786   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.271   1.072   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.446   1.072   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1      -2.683   0.357   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.033   0.357   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.208   0.357   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.204   1.072   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.208   1.786   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.033   1.786   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.030   1.072   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.442   1.786   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.442   0.357   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       1.030  -0.357   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       1.442  -1.072   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.267  -1.072   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.679  -0.357   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.267   0.357   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       1.030  -1.786   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.442  -2.501   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.267  -2.501   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.679  -1.786   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.679   1.072   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.505   1.072   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.917   1.786   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.505   2.501   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.679   2.501   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.267   1.786   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1       3.917   0.357   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1       4.742   0.357   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       5.154  -0.357   0.000  1.00  0.00           C  
HETATM   39  O   UNL     1       3.505  -0.357   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    3                                                      
CONECT    8    6    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10   13   17                                            
CONECT   12   10                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   11                                                 
CONECT   18   15   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24   29                                            
CONECT   24   23   25   39                                            
CONECT   25   24   20   30                                            
CONECT   26   22   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   23                                                 
CONECT   30   25   31   35                                            
CONECT   31   30   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
CONECT   36   31   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37                                                      
CONECT   39   24                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D01IXT
  -OEChem-09301911122D

 42 44  0     0  0  0  0  0  0999 V2000
    6.3961   -1.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -1.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    1.7621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.7379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.2621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    0.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -1.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    1.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038   -2.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038    1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -1.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    2.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -2.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    0.9167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7252    1.5721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312   -0.0479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    2.3821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3839   -2.7645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0062   -3.3821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6238   -2.7597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6238    1.2838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0062    1.9062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3839    1.2886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6842   -2.2749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312   -2.0479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3042   -1.2010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4803    2.7621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    3.3821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2402    2.7621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 17  1  0  0  0  0
  2 14  1  0  0  0  0
  2 22  1  0  0  0  0
  3 15  1  0  0  0  0
  3 23  1  0  0  0  0
  4 16  1  0  0  0  0
  4 24  1  0  0  0  0
  5 20  1  0  0  0  0
  5 25  1  0  0  0  0
  6 17  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
  8 17  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 10 18  1  0  0  0  0
 12 14  1  0  0  0  0
 12 26  1  0  0  0  0
 13 15  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  2  0  0  0  0
 16 19  1  0  0  0  0
 18 21  2  0  0  0  0
 18 28  1  0  0  0  0
 19 20  2  0  0  0  0
 19 29  1  0  0  0  0
 20 21  1  0  0  0  0
 21 30  1  0  0  0  0
 22 31  1  0  0  0  0
 22 32  1  0  0  0  0
 22 33  1  0  0  0  0
 23 34  1  0  0  0  0
 23 35  1  0  0  0  0
 23 36  1  0  0  0  0
 24 37  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  END

$$$$
D01IYF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429   0.414   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.429  -0.411   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.715  -0.824   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000  -0.411   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.000   0.414   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.715   0.826   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.143  -0.824   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.715  -0.824   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.429  -0.411   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1       2.143  -0.824   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1       0.715  -1.649   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       0.715   0.826   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.715   1.649   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5   12    4    6                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    4    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9                                                      
CONECT   11    8                                                      
CONECT   12   13    5                                                 
CONECT   13   12                                                      
MASTER        0    0    0    0    0    0    0    0   13    0   13    0
END
M  END

$$$$
D01JCZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.626  -1.675   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.213  -2.389   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.388  -2.389   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.976  -1.675   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.388  -0.960   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.213  -0.960   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.151  -1.675   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.738  -2.389   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.738  -0.960   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1       0.087  -2.389   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.571  -3.057   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.356  -2.802   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.356  -1.977   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.571  -1.722   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.141  -3.057   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.626  -2.389   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.141  -1.722   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       2.396  -0.937   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.203  -0.765   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.451  -2.389   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.458   0.019   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       3.755  -1.379   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       4.265   0.191   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.519   0.975   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.967   1.588   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.160   1.417   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.905   0.632   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.273   1.311   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       5.187   2.131   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       4.380   2.303   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       4.044   3.057   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       4.817  -0.422   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.451  -1.675   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1      -5.273  -1.675   0.000  1.00  0.00           N  
CONECT    1   33    2    6                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14   17                                            
CONECT   14   13   10                                                 
CONECT   15   12   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   13   18                                            
CONECT   18   17   19                                                 
CONECT   19   18   21   22                                            
CONECT   20   16                                                      
CONECT   21   19   23   27                                            
CONECT   22   19                                                      
CONECT   23   21   24   32                                            
CONECT   24   23   25   28                                            
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   21                                                 
CONECT   28   24   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25   31                                            
CONECT   31   30                                                      
CONECT   32   23                                                      
CONECT   33   34    1                                                 
CONECT   34   33                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D01JDK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.148   0.240   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.148  -0.585   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.433  -0.997   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.719  -0.585   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.719   0.240   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.433   0.653   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.004   0.653   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.710   0.240   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -0.004   1.478   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.425   0.653   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.139   0.240   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.853   0.653   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.853   1.478   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.139   1.890   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.425   1.478   0.000  1.00  0.00           C  
HETATM   16 CL   UNL     1       3.568   1.890   0.000  1.00  0.00          Cl  
HETATM   17 CL   UNL     1       3.568   0.240   0.000  1.00  0.00          Cl  
HETATM   18  N   UNL     1      -2.761  -1.137   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1      -2.425  -1.890   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.605  -1.804   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.568  -0.965   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4   20                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13                                                      
CONECT   17   12                                                      
CONECT   18    2   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19    3                                                 
CONECT   21   18                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D01JEH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNK A   1      -5.908  -2.517   0.000  1.00  0.00           C  
HETATM    2  C   UNK A   1      -6.121  -3.313   0.000  1.00  0.00           C  
HETATM    3  N   UNK A   1      -5.429  -3.763   0.000  1.00  0.00           N  
HETATM    4  C   UNK A   1      -4.788  -3.244   0.000  1.00  0.00           C  
HETATM    5  C   UNK A   1      -5.084  -2.474   0.000  1.00  0.00           C  
HETATM    6  C   UNK A   1      -5.429  -4.588   0.000  1.00  0.00           C  
HETATM    7  O   UNK A   1      -4.715  -5.000   0.000  1.00  0.00           O  
HETATM    8  C   UNK A   1      -6.144  -5.000   0.000  1.00  0.00           C  
HETATM    9  N   UNK A   1      -6.144  -5.825   0.000  1.00  0.00           N  
HETATM   10  C   UNK A   1      -6.858  -4.588   0.000  1.00  0.00           C  
HETATM   11  C   UNK A   1      -7.655  -4.374   0.000  1.00  0.00           C  
HETATM   12  C   UNK A   1      -7.072  -3.791   0.000  1.00  0.00           C  
HETATM   13  C   UNK A   1      -7.573  -5.000   0.000  1.00  0.00           C  
HETATM   14  C   UNK A   1      -6.858  -6.238   0.000  1.00  0.00           C  
HETATM   15  O   UNK A   1      -7.573  -5.825   0.000  1.00  0.00           O  
HETATM   16  C   UNK A   1      -6.858  -7.063   0.000  1.00  0.00           C  
HETATM   17  N   UNK A   1      -7.573  -7.475   0.000  1.00  0.00           N  
HETATM   18  C   ACE A   0      -7.573  -8.300   0.000  1.00  0.00           C  
HETATM   19  C   UNK A   1      -6.144  -7.475   0.000  1.00  0.00           C  
HETATM   20  C   UNK A   1      -3.991  -3.457   0.000  1.00  0.00           C  
HETATM   21  O   UNK A   1      -3.991  -4.282   0.000  1.00  0.00           O  
HETATM   22  N   UNK A   2      -3.337  -2.955   0.000  1.00  0.00           N  
HETATM   23  C   UNK A   2      -2.574  -3.271   0.000  1.00  0.00           C  
HETATM   24  C   UNK A   2      -1.920  -2.768   0.000  1.00  0.00           C  
HETATM   25  N   UNK A   3      -1.158  -3.084   0.000  1.00  0.00           N  
HETATM   26  O   UNK A   2      -1.920  -1.943   0.000  1.00  0.00           O  
HETATM   27  C   UNK A   2      -2.574  -4.096   0.000  1.00  0.00           C  
HETATM   28  C   UNK A   2      -1.860  -4.508   0.000  1.00  0.00           C  
HETATM   29  C   UNK A   2      -1.860  -5.333   0.000  1.00  0.00           C  
HETATM   30  C   UNK A   2      -1.145  -5.746   0.000  1.00  0.00           C  
HETATM   31  C   UNK A   2      -0.431  -5.333   0.000  1.00  0.00           C  
HETATM   32  C   UNK A   2      -0.431  -4.508   0.000  1.00  0.00           C  
HETATM   33  C   UNK A   2      -1.145  -4.096   0.000  1.00  0.00           C  
HETATM   34  C   UNK A   2      -1.145  -6.571   0.000  1.00  0.00           C  
HETATM   35  C   UNK A   2      -0.431  -6.983   0.000  1.00  0.00           C  
HETATM   36  C   UNK A   2       0.283  -6.571   0.000  1.00  0.00           C  
HETATM   37  C   UNK A   2       0.283  -5.746   0.000  1.00  0.00           C  
HETATM   38  C   UNK A   3      -0.361  -2.871   0.000  1.00  0.00           C  
HETATM   39  C   UNK A   3       0.223  -3.454   0.000  1.00  0.00           C  
HETATM   40  C   UNK A   3      -0.361  -2.046   0.000  1.00  0.00           C  
HETATM   41  C   UNK A   3       0.354  -1.633   0.000  1.00  0.00           C  
HETATM   42  C   UNK A   3       1.068  -2.046   0.000  1.00  0.00           C  
HETATM   43  C   UNK A   3       1.783  -1.633   0.000  1.00  0.00           C  
HETATM   44  C   UNK A   3       1.783  -0.808   0.000  1.00  0.00           C  
HETATM   45  C   UNK A   3       1.068  -0.396   0.000  1.00  0.00           C  
HETATM   46  C   UNK A   3       0.354  -0.808   0.000  1.00  0.00           C  
HETATM   47  O   UNK A   3       0.223  -4.279   0.000  1.00  0.00           O  
HETATM   48  O   UNK A   3       0.985  -3.138   0.000  1.00  0.00           O  
HETATM   49  O   UNK A   3       2.497  -0.396   0.000  1.00  0.00           O  
HETATM   50  C   UNK A   3       2.497   0.429   0.000  1.00  0.00           C  
HETATM   51  C   UNK A   3       3.212   0.842   0.000  1.00  0.00           C  
HETATM   52  N   UNK A   3       3.795   0.259   0.000  1.00  0.00           N  
HETATM   53  N   UNK A   3       4.530   0.633   0.000  1.00  0.00           N  
HETATM   54  N   UNK A   1       4.401   1.448   0.000  1.00  0.00           N  
HETATM   55  C   UNK A   3       3.586   1.577   0.000  1.00  0.00           C  
HETATM   56  C   UNK A   1       4.984   2.031   0.000  1.00  0.00           C  
HETATM   57  C   UNK A   1       5.809   2.031   0.000  1.00  0.00           C  
HETATM   58  C   UNK A   1       6.064   2.816   0.000  1.00  0.00           C  
HETATM   59  N   UNK A   1       5.397   3.301   0.000  1.00  0.00           N  
HETATM   60  C   UNK A   1       4.729   2.816   0.000  1.00  0.00           C  
HETATM   61  C   UNK A   1       5.452   4.122   0.000  1.00  0.00           C  
HETATM   62  O   UNK A   1       4.654   4.330   0.000  1.00  0.00           O  
HETATM   63  C   UNK A   1       6.032   4.710   0.000  1.00  0.00           C  
HETATM   64  N   UNK A   1       5.812   5.505   0.000  1.00  0.00           N  
HETATM   65  C   UNK A   1       6.830   4.502   0.000  1.00  0.00           C  
HETATM   66  C   UNK A   1       7.655   4.508   0.000  1.00  0.00           C  
HETATM   67  C   UNK A   1       7.409   5.089   0.000  1.00  0.00           C  
HETATM   68  C   UNK A   1       6.391   6.093   0.000  1.00  0.00           C  
HETATM   69  O   UNK A   1       7.190   5.885   0.000  1.00  0.00           O  
HETATM   70  C   UNK A   1       6.172   6.888   0.000  1.00  0.00           C  
HETATM   71  N   UNK A   1       6.752   7.475   0.000  1.00  0.00           N  
HETATM   72  C   UNK A   1       5.374   7.096   0.000  1.00  0.00           C  
HETATM   73  C   UNK A   1       7.242   3.787   0.000  1.00  0.00           C  
HETATM   74  C   ACE A   0       6.752   8.300   0.000  1.00  0.00           C  
HETATM   75  C   UNK A   1       4.010   2.709   0.000  1.00  0.00           C  
HETATM   76  O   UNK A   1       4.046   3.533   0.000  1.00  0.00           O  
HETATM   77  N   UNK A   2       3.333   2.236   0.000  1.00  0.00           N  
HETATM   78  C   UNK A   2       2.586   2.586   0.000  1.00  0.00           C  
HETATM   79  C   UNK A   2       1.910   2.113   0.000  1.00  0.00           C  
HETATM   80  N   UNK A   3       1.162   2.463   0.000  1.00  0.00           N  
HETATM   81  O   UNK A   2       1.873   1.289   0.000  1.00  0.00           O  
HETATM   82  C   UNK A   2       2.623   3.410   0.000  1.00  0.00           C  
HETATM   83  C   UNK A   2       1.928   3.854   0.000  1.00  0.00           C  
HETATM   84  C   UNK A   2       1.964   4.678   0.000  1.00  0.00           C  
HETATM   85  C   UNK A   2       1.269   5.122   0.000  1.00  0.00           C  
HETATM   86  C   UNK A   2       0.537   4.742   0.000  1.00  0.00           C  
HETATM   87  C   UNK A   2       0.500   3.918   0.000  1.00  0.00           C  
HETATM   88  C   UNK A   2       1.195   3.474   0.000  1.00  0.00           C  
HETATM   89  C   UNK A   2       1.306   5.946   0.000  1.00  0.00           C  
HETATM   90  C   UNK A   2       0.611   6.390   0.000  1.00  0.00           C  
HETATM   91  C   UNK A   2      -0.121   6.010   0.000  1.00  0.00           C  
HETATM   92  C   UNK A   2      -0.158   5.186   0.000  1.00  0.00           C  
HETATM   93  C   UNK A   3       0.357   2.285   0.000  1.00  0.00           C  
HETATM   94  C   UNK A   3      -0.200   2.894   0.000  1.00  0.00           C  
HETATM   95  C   UNK A   3       0.320   1.461   0.000  1.00  0.00           C  
HETATM   96  C   UNK A   3      -0.412   1.081   0.000  1.00  0.00           C  
HETATM   97  C   UNK A   3      -1.108   1.525   0.000  1.00  0.00           C  
HETATM   98  C   UNK A   3      -1.840   1.145   0.000  1.00  0.00           C  
HETATM   99  C   UNK A   3      -1.877   0.320   0.000  1.00  0.00           C  
HETATM  100  C   UNK A   3      -1.181  -0.124   0.000  1.00  0.00           C  
HETATM  101  C   UNK A   3      -0.449   0.257   0.000  1.00  0.00           C  
HETATM  102  O   UNK A   3      -0.163   3.718   0.000  1.00  0.00           O  
HETATM  103  O   UNK A   3      -0.976   2.613   0.000  1.00  0.00           O  
HETATM  104  O   UNK A   3      -2.609  -0.060   0.000  1.00  0.00           O  
HETATM  105  C   UNK A   3      -2.646  -0.884   0.000  1.00  0.00           C  
HETATM  106  C   UNK A   3      -3.378  -1.264   0.000  1.00  0.00           C  
HETATM  107  N   UNK A   3      -3.935  -0.655   0.000  1.00  0.00           N  
HETATM  108  N   UNK A   3      -4.686  -0.997   0.000  1.00  0.00           N  
HETATM  109  N   UNK A   1      -4.593  -1.816   0.000  1.00  0.00           N  
HETATM  110  C   UNK A   3      -3.785  -1.982   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5   20                                            
CONECT    5    4    1  109                                            
CONECT    6    3    7    8                                            
CONECT    7    6                                                      
CONECT    8    6    9   10                                            
CONECT    9    8   14                                                 
CONECT   10    8   11   12   13                                       
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13   10                                                      
CONECT   14    9   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17                                                      
CONECT   19   16                                                      
CONECT   20    4   21   22                                            
CONECT   21   20                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24   27                                            
CONECT   24   23   25   26                                            
CONECT   25   24   38                                                 
CONECT   26   24                                                      
CONECT   27   23   28                                                 
CONECT   28   27   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31   34                                            
CONECT   31   30   32   37                                            
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34   30   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   31                                                 
CONECT   38   25   39   40                                            
CONECT   39   38   47   48                                            
CONECT   40   38   41                                                 
CONECT   41   40   42   46                                            
CONECT   42   41   43                                                 
CONECT   43   42   44                                                 
CONECT   44   43   45   49                                            
CONECT   45   44   46                                                 
CONECT   46   45   41                                                 
CONECT   47   39                                                      
CONECT   48   39                                                      
CONECT   49   44   50                                                 
CONECT   50   49   51                                                 
CONECT   51   50   52   55                                            
CONECT   52   51   53                                                 
CONECT   53   52   54                                                 
CONECT   54   53   55   56                                            
CONECT   55   54   51                                                 
CONECT   56   54   57   60                                            
CONECT   57   56   58                                                 
CONECT   58   57   59                                                 
CONECT   59   58   60   61                                            
CONECT   60   59   56   75                                            
CONECT   61   62   63   59                                            
CONECT   62   61                                                      
CONECT   63   61   64   65                                            
CONECT   64   63   68                                                 
CONECT   65   63   66   67   73                                       
CONECT   66   65                                                      
CONECT   67   65                                                      
CONECT   68   64   69   70                                            
CONECT   69   68                                                      
CONECT   70   68   71   72                                            
CONECT   71   70   74                                                 
CONECT   72   70                                                      
CONECT   73   65                                                      
CONECT   74   71                                                      
CONECT   75   76   77   60                                            
CONECT   76   75                                                      
CONECT   77   75   78                                                 
CONECT   78   77   79   82                                            
CONECT   79   78   80   81                                            
CONECT   80   79   93                                                 
CONECT   81   79                                                      
CONECT   82   78   83                                                 
CONECT   83   82   84   88                                            
CONECT   84   83   85                                                 
CONECT   85   84   86   89                                            
CONECT   86   85   87   92                                            
CONECT   87   86   88                                                 
CONECT   88   87   83                                                 
CONECT   89   85   90                                                 
CONECT   90   89   91                                                 
CONECT   91   90   92                                                 
CONECT   92   91   86                                                 
CONECT   93   80   94   95                                            
CONECT   94   93  102  103                                            
CONECT   95   93   96                                                 
CONECT   96   95   97  101                                            
CONECT   97   96   98                                                 
CONECT   98   97   99                                                 
CONECT   99   98  100  104                                            
CONECT  100   99  101                                                 
CONECT  101  100   96                                                 
CONECT  102   94                                                      
CONECT  103   94                                                      
CONECT  104   99  105                                                 
CONECT  105  104  106                                                 
CONECT  106  105  107  110                                            
CONECT  107  106  108                                                 
CONECT  108  107  109                                                 
CONECT  109  108  110    5                                            
CONECT  110  109  106                                                 
MASTER        0    0    0    0    0    0    0    0  110    0  110    0
END
M  END

$$$$
D01KCA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.414  -0.206   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.699   0.206   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.985  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.270   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.556  -0.206   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.841   0.206   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.127  -0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.412   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.128   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.412   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.127  -0.206   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.841   0.206   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.556  -0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.270   0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.985  -0.206   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       4.699   0.206   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       5.414  -0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       6.128   0.206   0.000  1.00  0.00           C  
CONECT    1    2    9                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7   10                                                 
CONECT    9    1                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D01KIJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.723   0.222   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.723  -0.603   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.438  -1.015   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       2.152  -0.603   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.152   0.222   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.438   0.635   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.009   0.635   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.706   0.222   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1       0.009   1.460   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.420   0.635   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.420   1.460   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.135   1.872   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.849   1.460   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.849   0.635   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.135   0.222   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.564   1.872   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -4.278   1.460   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -4.993   1.872   0.000  1.00  0.00          Cl  
HETATM   19  F   UNL     1      -4.862   0.876   0.000  1.00  0.00           F  
HETATM   20  F   UNL     1      -3.866   0.745   0.000  1.00  0.00           F  
HETATM   21  N   UNL     1       2.866  -1.015   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.953  -1.836   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.760  -2.007   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.172  -1.293   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.620  -0.680   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       4.993  -1.207   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       2.866   0.635   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       3.620   0.299   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1       4.172   0.912   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       3.760   1.627   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.953   1.455   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1       2.340   2.007   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   21                                            
CONECT    5    4    6   27                                            
CONECT    6    5    1                                                 
CONECT    7    1    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18   19   20                                       
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20   17                                                      
CONECT   21    4   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   21                                                 
CONECT   26   24                                                      
CONECT   27    5   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   27   32                                            
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D01KJZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.008  -0.330   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.008  -1.155   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.294  -1.568   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.579  -1.155   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.579  -0.330   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.294   0.082   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.865  -1.568   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.779  -2.388   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1       0.028  -2.560   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.441  -1.845   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.111  -1.232   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.392  -2.940   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.176  -2.685   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.790  -3.237   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.618  -4.044   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.833  -4.299   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.220  -3.747   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.261  -1.759   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.746  -2.426   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       1.597  -1.005   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1       2.417  -0.919   0.000  1.00  0.00           N  
HETATM   22 CL   UNL     1      -3.723   0.082   0.000  1.00  0.00          Cl  
HETATM   23 CL   UNL     1      -0.436  -4.002   0.000  1.00  0.00          Cl  
HETATM   24  O   UNL     1       0.060  -0.425   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.523   0.158   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.310   0.955   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.893   1.539   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -0.679   2.336   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -1.263   2.919   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -1.049   3.716   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       0.117   2.549   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.633   4.299   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.969  -1.532   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.723  -1.196   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.637  -0.376   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.830  -0.204   0.000  1.00  0.00           C  
CONECT    1    2    6   22                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   18                                            
CONECT   11   10    7   24                                            
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   23                                            
CONECT   18   10   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   21                                                 
CONECT   21   20   33   36                                            
CONECT   22    1                                                      
CONECT   23   17                                                      
CONECT   24   11   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   32                                                 
CONECT   31   28                                                      
CONECT   32   30                                                      
CONECT   33   21   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   21                                                 
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D01KKC
  -OEChem-09301911142D

 48 49  0     0  0  0  0  0  0999 V2000
    3.7320    1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -3.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -1.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -1.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -1.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -0.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    0.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291   -3.2110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0560   -4.0580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -3.8310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -2.0990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6760   -1.2520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8291   -1.4790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -4.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    3.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    2.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2 23  1  0  0  0  0
  2 48  1  0  0  0  0
  3 23  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 19  1  0  0  0  0
  6 19  1  0  0  0  0
  6 22  1  0  0  0  0
  6 45  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 12  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 13  1  0  0  0  0
 10 17  2  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 18  2  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 20  1  0  0  0  0
 17 41  1  0  0  0  0
 18 21  1  0  0  0  0
 18 42  1  0  0  0  0
 20 21  2  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
M  END

$$$$
D01KPW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215   1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.501   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.786   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.786   1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.501   1.650   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.072   0.000   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.357   0.412   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.357   1.238   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.072   1.650   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.072  -0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.786  -1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.786  -2.062   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.072  -2.475   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.357  -2.062   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.357  -1.238   0.000  1.00  0.00           C  
HETATM   17 CL   UNL     1       0.357  -0.825   0.000  1.00  0.00          Cl  
HETATM   18  C   UNL     1       0.357   1.650   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.072   1.238   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       0.357   2.475   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       1.786   1.650   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.072   0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.501   1.238   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.786   2.475   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.215   1.650   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   18                                            
CONECT   10    9    5                                                 
CONECT   11    7   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11   17                                            
CONECT   17   16                                                      
CONECT   18    9   19   20                                            
CONECT   19   18   21   22                                            
CONECT   20   18                                                      
CONECT   21   19   23   24                                            
CONECT   22   19                                                      
CONECT   23   21   25                                                 
CONECT   24   21                                                      
CONECT   25   23                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D01KYS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.603   0.909   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.603   0.084   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.888  -0.329   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.174   0.084   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.174   0.909   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.888   1.321   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.459  -0.329   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.373  -1.149   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1       0.434  -1.321   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1       0.847  -0.607   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.295   0.007   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.667  -0.520   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.080  -1.235   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.905  -1.235   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.317  -0.520   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.905   0.194   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.080   0.194   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.317   0.909   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.317  -0.329   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   19                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10    7                                                 
CONECT   12   10   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   12                                                 
CONECT   18   16                                                      
CONECT   19    2                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D01LCZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.300  -0.914   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.888  -1.629   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.062  -1.629   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.650  -0.914   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.062  -0.200   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.888  -0.200   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.825  -0.914   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.412  -0.200   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.412  -1.629   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.412  -1.629   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.825  -2.343   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.650  -2.343   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.062  -1.629   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.650  -0.914   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.825  -0.914   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.888  -1.629   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.300  -2.343   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       3.300  -0.914   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       2.888  -0.200   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       0.408  -0.114   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.580   0.693   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.135   1.106   0.000  1.00  0.00           C  
HETATM   23  S   UNL     1      -0.748   0.554   0.000  1.00  0.00           S  
HETATM   24  C   UNL     1       1.294   1.106   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.294   1.931   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.580   2.343   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.135   1.931   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   20   23                                            
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18                                                      
CONECT   20    8   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23   27                                            
CONECT   23   22    8                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D01LGQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.323  -0.247   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.323  -1.072   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.609  -1.484   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.894  -1.072   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.894  -0.247   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.609   0.166   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -3.110  -1.327   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1      -2.625  -0.659   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.110   0.008   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -1.800  -0.659   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.387   0.055   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.562   0.055   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.800   0.770   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.150  -0.659   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.675  -0.659   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.088   0.055   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.675   0.770   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.150   0.770   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.913   0.055   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.325  -0.659   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       3.150  -0.659   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.563   0.055   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.150   0.770   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.325   0.770   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1       1.913   1.484   0.000  1.00  0.00           F  
HETATM   26  C   UNL     1       4.388   0.055   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.800  -0.659   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.625  -0.659   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.038  -1.484   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       6.038  -1.374   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       4.388  -1.374   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   29                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11   14   18                                            
CONECT   13   11                                                      
CONECT   14   12   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   12                                                 
CONECT   19   16   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   19   25                                            
CONECT   25   24                                                      
CONECT   26   22   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   30                                                 
CONECT   29    2                                                      
CONECT   30   28                                                      
CONECT   31   27                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D01LMW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.835  -0.564   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.835  -1.389   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.120  -1.801   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.594  -1.389   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.594  -0.564   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.120  -0.151   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.619  -0.308   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.104  -0.976   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.619  -1.643   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.929  -0.976   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.342  -1.690   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -3.342  -0.262   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -4.167  -1.690   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.309  -0.151   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       2.023  -0.564   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.738  -0.151   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.452  -0.564   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       4.167  -0.151   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.167   0.674   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.452   1.087   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.738   0.674   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.023   1.087   0.000  1.00  0.00           C  
HETATM   23  F   UNL     1       2.435   1.801   0.000  1.00  0.00           F  
HETATM   24  F   UNL     1       2.737   0.674   0.000  1.00  0.00           F  
HETATM   25  F   UNL     1       1.610   0.372   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   14                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   11   12                                            
CONECT   11   10   13                                                 
CONECT   12   10                                                      
CONECT   13   11                                                      
CONECT   14    5   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16   22                                            
CONECT   22   21   23   24   25                                       
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25   22                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D01LOJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.040   0.584   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.865   0.584   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.277   1.299   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.865   2.013   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.040   2.013   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.627   1.299   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.198   1.299   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.683   1.966   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -1.467   1.711   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.467   0.886   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.683   0.631   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.182   2.124   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.896   1.711   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.896   0.886   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.182   0.474   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.182   2.949   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.611   0.474   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.428  -0.153   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.980  -0.766   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.725  -1.551   0.000  1.00  0.00           N  
HETATM   21  O   UNL     1      -1.787  -0.595   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.277  -2.164   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.082  -1.723   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.022  -2.949   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.337  -2.507   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.896   1.356   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       3.611   0.943   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   26                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11   15                                            
CONECT   11   10    7   18                                            
CONECT   12    9   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   10                                                 
CONECT   16   12                                                      
CONECT   17   14                                                      
CONECT   18   11   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   22   23                                            
CONECT   21   19                                                      
CONECT   22   20   24                                                 
CONECT   23   20   25                                                 
CONECT   24   22                                                      
CONECT   25   23                                                      
CONECT   26    3   27                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D01LSP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.351  -0.996   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.351  -1.821   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.637  -2.234   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.922  -1.821   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.922  -0.996   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.637  -0.584   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.208  -2.234   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.507  -1.821   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.507  -0.996   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.208  -0.584   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.066  -2.234   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.808   0.223   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.629   0.309   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -2.964  -0.444   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.256   0.836   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.449   0.665   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.103   1.278   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.152   2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.959   2.234   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.511   1.621   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1      -2.318   1.792   0.000  1.00  0.00          Cl  
HETATM   22  C   UNL     1       1.221  -0.584   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.046  -0.584   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.634   0.131   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       0.910   1.106   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       1.462   1.719   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.269   1.548   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.821   2.161   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.524   0.763   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       3.066   1.334   0.000  1.00  0.00           O  
CONECT    1    2    6   14                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   12                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   22                                            
CONECT   10    9    5                                                 
CONECT   11    2                                                      
CONECT   12    6   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    1                                                 
CONECT   15   12   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   25                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
CONECT   22    9   23   24                                            
CONECT   23   22   24                                                 
CONECT   24   23   22                                                 
CONECT   25   17   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D01LTK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  O   UNK     1      -3.572   0.000   0.000  1.00  0.00           O  
HETATM    2  C   UNK     1      -2.858   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNK     1      -2.143   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNK     1      -1.429   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNK     1      -0.714   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNK     1       0.000   0.412   0.000  1.00  0.00           C  
HETATM    7  N   UNK     1       0.714   0.000   0.000  1.00  0.00           N  
HETATM    8  N   UNK     1       1.429   0.412   0.000  1.00  0.00           N  
HETATM    9  C   UNK     1       2.143   0.000   0.000  1.00  0.00           C  
HETATM   10  C   UNK     1       2.143  -0.825   0.000  1.00  0.00           C  
HETATM   11  C   UNK     1       2.858  -1.238   0.000  1.00  0.00           C  
HETATM   12  C   UNK     1       3.572  -0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNK     1       3.572   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNK     1       2.858   0.412   0.000  1.00  0.00           C  
HETATM   15  O   UNK     1       2.858   1.238   0.000  1.00  0.00           O  
HETATM   16  O   UNK     1       0.000   1.238   0.000  1.00  0.00           O  
HETATM   17  O   UNK     1      -2.858   1.238   0.000  1.00  0.00           O  
HETATM   18  N   UNK     1      -2.143  -0.825   0.000  1.00  0.00           N  
CONECT    1    2                                                      
CONECT    2    1    3   17                                            
CONECT    3    2    4   18                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7   16                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9   15                                            
CONECT   15   14                                                      
CONECT   16    6                                                      
CONECT   17    2                                                      
CONECT   18    3                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END

$$$$

$$$$

$$$$
D01LUJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -4.950   0.859   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.950   0.034   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.236  -0.378   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.521   0.034   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.521   0.859   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.236   1.272   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -4.064  -1.185   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.244  -1.272   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.908  -0.518   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -5.665  -0.378   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.101  -0.346   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.488  -0.898   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.773  -0.486   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.945   0.321   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.766   0.407   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.393   0.934   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1      -2.178   1.122   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.020  -0.822   0.000  1.00  0.00           C  
HETATM   19  S   UNL     1       0.648  -0.337   0.000  1.00  0.00           S  
HETATM   20  C   UNL     1       1.401  -0.672   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.069  -0.187   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.822  -0.523   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.490  -0.038   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       4.244  -0.373   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       4.911   0.112   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.825   0.932   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.071   1.268   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       3.404   0.783   0.000  1.00  0.00           N  
HETATM   29 CL   UNL     1       5.665  -0.224   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    4   11                                            
CONECT   10    2                                                      
CONECT   11    9   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15   16                                            
CONECT   15   14   11   17                                            
CONECT   16   14                                                      
CONECT   17   15                                                      
CONECT   18   13   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   25                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D01LVT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.222   1.233   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.225   0.408   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.488  -0.007   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.204   0.403   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.207   1.228   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.494   1.643   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.362  -0.822   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.921  -1.428   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.744  -1.370   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       2.211  -0.690   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.971   0.099   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.940  -0.002   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.943  -0.827   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.353  -1.232   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.724   0.256   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.211  -0.410   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.728  -1.079   0.000  1.00  0.00           C  
HETATM   18  H   UNL     1      -1.024   0.819   0.000  1.00  0.00           H  
HETATM   19  H   UNL     1      -1.063  -1.643   0.000  1.00  0.00           H  
CONECT    1    2    6                                                 
CONECT    2    1    3   12                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5   11                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8   14                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    4                                                 
CONECT   12    2   13   15   18                                       
CONECT   13   12   14   17   19                                       
CONECT   14    7   13                                                 
CONECT   15   12   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   13                                                 
CONECT   18   12                                                      
CONECT   19   13                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D01MKD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.897  -1.067   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.183  -0.655   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.468  -1.067   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.246  -0.655   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.961  -1.067   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.675  -0.655   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.390  -1.067   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       3.104  -0.655   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.819  -1.067   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       4.533  -0.655   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       5.248  -1.067   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.183   0.170   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.468   0.583   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.468  -1.892   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1       1.675   0.170   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       3.819  -1.892   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.880   1.297   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.357   0.583   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.961  -1.892   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.675  -2.305   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.104   0.170   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.819   0.583   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.533   0.170   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       5.248   0.583   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.248   1.408   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.533   1.820   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.819   1.408   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.500  -2.305   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.462  -3.102   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.992   1.604   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -4.563   1.621   0.000  1.00  0.00           N  
HETATM   32  CA  UNL     1      -5.273   1.200   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.263   0.375   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.544  -0.029   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.834   0.391   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.115  -0.013   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.106  -0.838   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.816  -1.259   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.535  -0.854   0.000  1.00  0.00           C  
HETATM   40  O   UNL     1      -6.702   1.184   0.000  1.00  0.00           O  
HETATM   41  OXT UNL     1      -6.001   2.429   0.000  1.00  0.00           O  
HETATM   42  C   UNL     1       5.987   2.276   0.000  1.00  0.00           C  
HETATM   43  O   UNL     1       5.987   3.102   0.000  1.00  0.00           O  
HETATM   44  C   UNL     1       6.702   1.864   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1       5.603   1.039   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1       6.428   1.039   0.000  1.00  0.00           C  
CONECT    1    2   37                                                 
CONECT    2    1    3   12                                            
CONECT    3    2    4   14                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   19                                            
CONECT    6    5    7   15                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   21                                            
CONECT    9    8   10   16                                            
CONECT   10    9   11                                                 
CONECT   11   10                                                      
CONECT   12    2   13                                                 
CONECT   13   12   17   18                                            
CONECT   14    3                                                      
CONECT   15    6                                                      
CONECT   16    9                                                      
CONECT   17   13                                                      
CONECT   18   13                                                      
CONECT   19    5   20                                                 
CONECT   20   19   28   29                                            
CONECT   21    8   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   42                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   20                                                      
CONECT   29   20                                                      
CONECT   30   32   40   41                                            
CONECT   31   32                                                      
CONECT   32   31   30   33                                            
CONECT   33   32   34                                                 
CONECT   34   33   35   39                                            
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38    1                                            
CONECT   38   37   39                                                 
CONECT   39   38   34                                                 
CONECT   40   30                                                      
CONECT   41   30                                                      
CONECT   42   25   43   44                                            
CONECT   43   42                                                      
CONECT   44   42                                                      
CONECT   45   46                                                      
CONECT   46   45                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
M  END

$$$$
D01MMT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.981   0.948   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.393   0.234   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.600   0.461   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.198   0.234   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.611   0.948   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.183   0.722   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.981   1.773   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.184   1.987   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.613   1.773   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.600   1.286   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.013  -0.254   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.810  -0.467   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.429  -0.837   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.643  -1.634   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1       0.368  -0.624   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.009  -1.143   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.701  -0.694   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.487   0.103   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.663   0.147   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.076   0.861   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.806   0.948   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       0.985  -1.987   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       1.810  -1.987   0.000  1.00  0.00           N  
CONECT    1    2    6    7   21                                       
CONECT    2    1    3                                                 
CONECT    3    2    4   10   11                                       
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    3    8                                                 
CONECT   11    3   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   16   19                                            
CONECT   16   15   17   22                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   15   20                                            
CONECT   20   19   18                                                 
CONECT   21    1                                                      
CONECT   22   16   23                                                 
CONECT   23   22                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D01MPC
  -OEChem-09301911202D

 64 65  0     0  0  0  0  0  0999 V2000
    3.7891    1.4612    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.5490    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3183   -2.2304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1928   -8.1026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7751   -7.3981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7360   -2.9349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    8.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    8.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9170   -1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5103   -0.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0035   -1.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8306   -0.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3238   -2.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    0.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1945   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6396   -1.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1427   -3.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    0.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5549   -4.6575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9617   -5.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    1.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3739   -6.3801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7806   -7.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    6.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    6.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    6.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    7.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0796    0.1472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9963   -0.6455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5575   -2.0498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3502   -2.1331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2766   -0.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4839   -0.2916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5589   -0.5297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6929   -0.6669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8300   -1.5329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2752   -1.8950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1412   -1.7578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0040   -0.8918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1194   -2.8701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5734   -4.2945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6567   -3.5018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625    0.0086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1242   -4.2115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0409   -5.0042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3924   -6.0170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4757   -5.2244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9967    1.6528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9432   -5.9341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8599   -6.7268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4450   -8.6690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.7390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    6.3590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    6.3590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    8.6690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    7.7390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    8.6690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 24  1  0  0  0  0
  2 29  1  0  0  0  0
  3 15  2  0  0  0  0
  4 26  1  0  0  0  0
  4 28  1  0  0  0  0
  5 26  2  0  0  0  0
  6 27  1  0  0  0  0
  6 58  1  0  0  0  0
  7 27  2  0  0  0  0
  8 15  1  0  0  0  0
  8 19  1  0  0  0  0
  8 47  1  0  0  0  0
  9 34  1  0  0  0  0
  9 62  1  0  0  0  0
  9 63  1  0  0  0  0
 10 34  2  0  0  0  0
 10 64  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 17  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 18  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 16 20  2  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 21  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 23  1  0  0  0  0
 20 50  1  0  0  0  0
 21 22  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 22 25  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 23 24  2  0  0  0  0
 23 55  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 56  1  0  0  0  0
 25 57  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  2  0  0  0  0
 30 59  1  0  0  0  0
 31 33  2  0  0  0  0
 31 60  1  0  0  0  0
 32 33  1  0  0  0  0
 32 61  1  0  0  0  0
 33 34  1  0  0  0  0
M  END

$$$$
D01MSP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.644   1.442   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.644   0.617   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.930   0.205   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.215   0.617   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.215   1.442   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.930   1.855   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.359   1.855   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -6.073   1.442   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.073   0.617   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.359   0.205   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.501   0.205   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.501  -0.620   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.786  -1.033   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.072  -0.620   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.072   0.205   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.786   0.617   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.786   1.442   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.357   0.617   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       0.357   0.205   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       1.072   0.617   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.786   0.205   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.501   0.617   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.501   1.442   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.786   1.855   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.072   1.442   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       3.215   0.205   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       3.215  -0.620   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.501  -1.033   0.000  1.00  0.00           C  
HETATM   29  C   ACE A   0       3.215   1.855   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       3.930   1.442   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       1.786  -0.620   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.072  -1.033   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.072  -1.858   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.786  -2.270   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.501  -1.858   0.000  1.00  0.00           C  
HETATM   36  CA  UNL     1       4.644   1.855   0.000  1.00  0.00           C  
HETATM   37  CB  UNL     1       4.644   2.680   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1       3.930   3.092   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1       5.359   1.442   0.000  1.00  0.00           C  
HETATM   40  O   UNL     1       5.359   0.617   0.000  1.00  0.00           O  
HETATM   41  OXT UNL     1       6.073   1.855   0.000  1.00  0.00           O  
HETATM   42  C   UNL     1       0.357   1.855   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       1.785  -3.092   0.000  1.00  0.00           C  
HETATM   44  N   UNL     1       0.960  -3.092   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   11                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    2                                                 
CONECT   11    4   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   11   17                                            
CONECT   17   16                                                      
CONECT   18   15   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24   29                                            
CONECT   24   23   25                                                 
CONECT   25   24   20   42                                            
CONECT   26   22   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   31   35                                            
CONECT   29   23   30                                                 
CONECT   30   29   36                                                 
CONECT   31   28   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   43                                            
CONECT   35   34   28                                                 
CONECT   36   30   37   39                                            
CONECT   37   36   38                                                 
CONECT   38   37                                                      
CONECT   39   36   40   41                                            
CONECT   40   39                                                      
CONECT   41   39                                                      
CONECT   42   25                                                      
CONECT   43   34   44                                                 
CONECT   44   43                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
M  END

$$$$
D01NBW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.278  -0.206   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.278  -1.031   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.437  -1.444   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.151  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.151  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.437   0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.936  -1.286   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.421  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.936   0.049   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.437   1.031   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.992  -1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.706  -1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.421  -1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.421  -2.269   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.706  -2.681   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.992  -2.269   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.278   1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.278   2.269   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.992   2.681   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.706   2.269   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.706   1.444   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.992   1.031   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    6   17                                                 
CONECT   11    2   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   10   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D01NJW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.715  -1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.000  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.000  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429  -1.031   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.143  -1.444   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1       0.715  -1.444   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       0.715   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.429  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.143   0.206   0.000  1.00  0.00           C  
HETATM   12  S   UNL     1       2.143   1.031   0.000  1.00  0.00           S  
HETATM   13  C   UNL     1       1.429   1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.715   1.031   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    2                                                      
CONECT    9    3   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
MASTER        0    0    0    0    0    0    0    0   14    0   14    0
END
M  END

$$$$
D01NST
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.923  -0.404   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.098  -0.404   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.685   0.310   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.098   1.025   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.923   1.025   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.335   0.310   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.546  -1.017   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.792  -0.681   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.878   0.139   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.460  -1.838   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.653  -2.009   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.240  -1.295   0.000  1.00  0.00           C  
HETATM   13  F   UNL     1      -1.515   1.608   0.000  1.00  0.00           F  
HETATM   14  C   UNL     1      -0.164   0.551   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.581   0.196   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.261   0.663   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.005   0.307   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.685   0.774   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.621   1.597   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.877   1.952   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.196   1.485   0.000  1.00  0.00           C  
HETATM   22  F   UNL     1       0.168  -0.519   0.000  1.00  0.00           F  
HETATM   23  F   UNL     1       0.993  -0.519   0.000  1.00  0.00           F  
HETATM   24  O   UNL     1       3.335   2.009   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5   13                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8   10                                            
CONECT    8    7    9   12                                            
CONECT    9    8    3   14                                            
CONECT   10    7   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    8                                                 
CONECT   13    4                                                      
CONECT   14    9   15                                                 
CONECT   15   14   16   22   23                                       
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   15                                                      
CONECT   23   15                                                      
CONECT   24   19                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D01NVM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.821  -0.121   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.821  -0.946   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.106  -1.358   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.608  -0.946   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.608  -0.121   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.106   0.292   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.466   0.394   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.270   0.210   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.628  -0.533   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.270  -1.277   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.466  -1.460   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.323   0.292   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       2.076  -0.044   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1       2.628   0.569   0.000  1.00  0.00           N  
HETATM   15  N   UNL     1       2.216   1.284   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1       1.409   1.112   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.106   1.117   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.608   1.529   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.608   2.354   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.106   2.767   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.821   2.354   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.821   1.529   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.323   2.767   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.323  -1.358   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.409  -2.179   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.216  -2.350   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.628  -1.636   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.076  -1.023   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.739  -1.942   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       0.739  -2.767   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   24                                            
CONECT    5    4    6   12                                            
CONECT    6    5    1   17                                            
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    2                                                 
CONECT   12    5   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   12                                                 
CONECT   17    6   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   19                                                      
CONECT   24    4   25   28   29                                       
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   24                                                 
CONECT   29   24   30                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D01NWU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.200   0.084   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.375   0.080   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.037   0.794   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.863   0.794   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.117   1.579   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.450   2.064   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.217   1.579   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.275   0.080   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.100   0.080   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.513  -0.635   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.513   0.794   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       2.100  -1.349   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.513  -2.064   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.337  -2.064   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.750  -1.349   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.337  -0.635   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.684   0.752   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.469   0.498   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.469  -0.327   0.000  1.00  0.00           C  
HETATM   20  S   UNL     1      -1.684  -0.583   0.000  1.00  0.00           S  
HETATM   21  C   UNL     1      -3.184   0.910   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.898   0.498   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.898  -0.327   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.184  -0.740   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1      -4.613  -0.740   0.000  1.00  0.00           F  
HETATM   26  O   UNL     1       2.042  -1.141   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       2.756  -1.554   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       3.898  -0.069   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       4.613  -0.481   0.000  1.00  0.00           C  
CONECT    1    2   17   20                                            
CONECT    2    1    3                                                 
CONECT    3    4    7    2                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    3                                                 
CONECT    8    4    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   12   16                                            
CONECT   11    9                                                      
CONECT   12   10   13   26                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   10   28                                            
CONECT   17    1   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20   24                                            
CONECT   20   19    1                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   19                                                 
CONECT   25   23                                                      
CONECT   26   12   27                                                 
CONECT   27   26                                                      
CONECT   28   16   29                                                 
CONECT   29   28                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D01OEF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.727  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.727  -1.650   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.012  -2.062   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.702  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.702  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.012  -0.412   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -1.511  -0.570   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1      -1.996  -1.238   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.511  -1.905   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.821  -1.238   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.234  -0.523   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.059  -0.523   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.471  -1.238   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.059  -1.952   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.234  -1.952   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -5.296  -1.238   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -5.709  -0.523   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -5.373   0.231   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.986   0.783   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.701   0.370   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.529  -0.437   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.566   0.402   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.012   0.412   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       0.702   0.825   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.417   0.412   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.131   0.825   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.131   1.650   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.417   2.062   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.702   1.650   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       2.916   0.570   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       3.401   1.238   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       2.916   1.905   0.000  1.00  0.00           O  
HETATM   33  N   UNL     1       4.226   1.238   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1       4.638   0.523   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.226  -0.191   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.638  -0.906   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       5.463  -0.906   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       5.876  -0.191   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       5.463   0.523   0.000  1.00  0.00           C  
HETATM   40  O   UNL     1       5.876  -1.620   0.000  1.00  0.00           O  
HETATM   41  C   UNL     1       6.701  -1.620   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   23                                            
CONECT    7    1    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   17                                                 
CONECT   22   18                                                      
CONECT   23    6   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   26   31                                                 
CONECT   31   30   32   33                                            
CONECT   32   31   27                                                 
CONECT   33   31   34                                                 
CONECT   34   33   35   39                                            
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38   40                                            
CONECT   38   37   39                                                 
CONECT   39   38   34                                                 
CONECT   40   37   41                                                 
CONECT   41   40                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D01OFO
  -OEChem-09301911282D

 44 46  0     1  0  0  0  0  0999 V2000
    7.7331   -2.9447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.9447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8158    0.2577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0360    2.9983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6466   -1.3515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.9447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.9447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2225    1.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6347    1.9803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2170    1.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0414    2.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6238    2.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8376    0.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.4447    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3158   -0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6059    1.1064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1207    2.3270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2040    1.5343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1738    0.6573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8186    1.1258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0847    3.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4399    3.0438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1378    1.8426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0544    2.6353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2882    3.5647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3769    0.4646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9324   -0.6731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996   -0.4698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025   -0.4698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -2.7547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.5647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.5647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 41  1  0  0  0  0
  2 18  2  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  3 16  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 33  1  0  0  0  0
  5 14  1  0  0  0  0
  5 16  2  0  0  0  0
  6 21  1  0  0  0  0
  6 23  2  0  0  0  0
  7 23  1  0  0  0  0
  7 43  1  0  0  0  0
  7 44  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 12  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  2  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 19  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
M  END

$$$$
D01OGR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.002  -1.472   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.178  -1.472   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.765  -0.757   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.178  -0.043   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.002  -0.043   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.415  -0.757   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.958  -0.586   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.872   0.234   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1      -1.625   0.570   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1      -0.157   0.647   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.557   0.234   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.272   0.647   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.986   0.234   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.700   0.647   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.415   0.234   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.157   1.472   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    4                                                 
CONECT   10    8   11   16                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14                                                      
CONECT   16   10                                                      
MASTER        0    0    0    0    0    0    0    0   16    0   16    0
END
M  END

$$$$
D01OIQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.265   1.031   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.265   0.206   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.550  -0.206   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.164   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.164   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.550   1.444   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.949  -0.049   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.434   0.619   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.949   1.286   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       2.259   0.619   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.550   2.269   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.979  -0.206   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.979   1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.550  -1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.693   1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.408   1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.122   1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.265  -1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.265  -2.269   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.671  -0.096   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.472   1.416   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.187   1.003   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.496  -0.096   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.297   1.416   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.881   0.832   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       4.122   1.416   0.000  1.00  0.00           O  
CONECT    1    2    6   13                                            
CONECT    2    1    3   12                                            
CONECT    3    2    4   14                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   20   21                                            
CONECT   11    6                                                      
CONECT   12    2                                                      
CONECT   13    1   15                                                 
CONECT   14    3   18                                                 
CONECT   15   13   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16                                                      
CONECT   18   14   19                                                 
CONECT   19   18                                                      
CONECT   20   10   23                                                 
CONECT   21   10   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   20   22   25                                            
CONECT   24   21   25   26                                            
CONECT   25   24   23   26                                            
CONECT   26   24   25                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D01OOO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  O   UNL     1      -6.430   0.206   0.000  1.00  0.00           O  
HETATM    2  C   UNL     1      -6.430  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.716  -1.031   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.001  -0.619   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.001   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.716   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.287  -1.031   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.572  -0.619   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.858  -1.031   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.143  -0.619   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.429  -1.031   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.715  -0.619   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.000  -1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.715  -0.619   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       1.429  -1.031   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       2.143  -0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.858  -1.031   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       3.572  -0.619   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       4.287  -1.031   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.572   0.206   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.429  -1.856   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       0.715   0.206   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       2.858  -1.856   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.143   0.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.287  -1.856   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.000  -1.856   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.429   0.619   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.429   1.444   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.715  -2.269   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.429  -1.856   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.715  -3.094   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       5.001  -0.619   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       5.001   0.206   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       5.001  -2.269   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       5.716  -1.856   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       5.001  -3.094   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       5.716  -1.031   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       5.001  -1.444   0.000  1.00  0.00           C  
HETATM   40  O   UNL     1       6.430  -1.444   0.000  1.00  0.00           O  
HETATM   41  C   UNL     1       6.430  -0.619   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.715   1.856   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1      -0.715   2.681   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1      -1.429   3.094   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.143   2.681   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1      -2.143   1.856   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1       2.727   0.790   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1       3.524   0.576   0.000  1.00  0.00           C  
HETATM   49  C   UNL     1       4.107   1.159   0.000  1.00  0.00           C  
HETATM   50  C   UNL     1       3.893   1.956   0.000  1.00  0.00           C  
HETATM   51  C   UNL     1       3.097   2.170   0.000  1.00  0.00           C  
HETATM   52  C   UNL     1       2.513   1.587   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   20                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   24                                            
CONECT   11   10   12   21                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   27                                            
CONECT   14   13   15   22                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   25                                            
CONECT   17   16   18   23                                            
CONECT   18   17   19                                                 
CONECT   19   18   26   33                                            
CONECT   20    8                                                      
CONECT   21   11                                                      
CONECT   22   14                                                      
CONECT   23   17                                                      
CONECT   24   10   28                                                 
CONECT   25   16   47                                                 
CONECT   26   19   35                                                 
CONECT   27   13   30                                                 
CONECT   28   24   29                                                 
CONECT   29   28   42   46                                            
CONECT   30   27   31   32                                            
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   19   34   38                                            
CONECT   34   33                                                      
CONECT   35   26   36   37                                            
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   33   39   40   41                                       
CONECT   39   38                                                      
CONECT   40   38   41                                                 
CONECT   41   40   38                                                 
CONECT   42   29   43                                                 
CONECT   43   42   44                                                 
CONECT   44   43   45                                                 
CONECT   45   44   46                                                 
CONECT   46   45   29                                                 
CONECT   47   25   48   52                                            
CONECT   48   47   49                                                 
CONECT   49   48   50                                                 
CONECT   50   49   51                                                 
CONECT   51   50   52                                                 
CONECT   52   51   47                                                 
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
M  END

$$$$
D01OQQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143  -0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -1.856   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715  -0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429  -0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.000  -0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.858  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.858   0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.572   1.031   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.287   0.619   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.287  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.572  -0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.715  -0.619   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.715  -1.441   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.429  -0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.143  -0.619   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.858  -0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.858   0.619   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.143   1.031   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.429   0.619   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.143   1.856   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       0.715   1.031   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       3.572  -0.619   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       4.287  -0.206   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       5.001  -0.619   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       5.716  -0.206   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       5.716   0.619   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1      -5.001   1.031   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -5.716   0.619   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.716  -0.206   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1      -5.001  -0.619   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -1.430   0.617   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1      -0.605   0.617   0.000  1.00  0.00           N  
CONECT    1    2    6    8                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   33                                            
CONECT    7    5   14                                                 
CONECT    8    1    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   29                                            
CONECT   12   11   13   32                                            
CONECT   13   12    8                                                 
CONECT   14    7   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   24                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   16   23                                            
CONECT   22   20                                                      
CONECT   23   21                                                      
CONECT   24   18   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27                                                      
CONECT   29   11   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   12                                                 
CONECT   33    6   34                                                 
CONECT   34   33                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D01OYE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.718   1.704   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.718   0.882   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.430   0.471   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.142   0.882   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.142   1.704   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.430   2.115   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.854   0.471   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.566   0.882   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.566   1.704   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.854   2.115   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.006   0.471   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.004   2.116   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.711   1.704   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.464   2.039   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.017   1.426   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.604   0.712   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.797   0.883   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.006  -0.354   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.708  -0.767   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.423  -0.354   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.137  -0.767   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.137  -1.592   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.423  -2.004   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.708  -1.592   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.442   2.829   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.267  -0.244   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.267   2.829   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.442  -0.244   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.852  -2.004   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.566  -1.592   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.852  -2.829   0.000  1.00  0.00           O  
CONECT    1    2    6   12                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   26   28                                       
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   25   27                                       
CONECT   11    2   18                                                 
CONECT   12    1   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   13                                                 
CONECT   18   11   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   29                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   10                                                      
CONECT   26    7                                                      
CONECT   27   10                                                      
CONECT   28    7                                                      
CONECT   29   22   30   31                                            
CONECT   30   29                                                      
CONECT   31   29                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D01OYY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.492   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.492  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.778  -1.031   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.063  -0.619   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.063   0.206   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.778   0.619   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.778  -1.856   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.492  -2.269   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.492  -3.094   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.778  -3.506   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.063  -3.094   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.063  -2.269   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.349   0.619   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.634   0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.634  -0.619   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.920  -1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.205  -0.619   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.205   0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.920   0.619   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.349  -1.031   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.509   0.619   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       1.224   0.206   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.938   0.619   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       1.224  -0.619   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       2.652   0.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.367   0.619   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.367   1.444   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.652   1.856   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.938   1.444   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.650   2.681   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       1.825   2.681   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       2.650   3.506   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       3.475   2.681   0.000  1.00  0.00           F  
HETATM   34  C   UNL     1       4.080   0.206   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1       3.667  -0.508   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1       3.365   0.619   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1       4.492   0.921   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   13                                            
CONECT    6    5    1                                                 
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    5   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   14                                                 
CONECT   20   15                                                      
CONECT   21   18   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   25   29                                            
CONECT   24   22                                                      
CONECT   25   23   26                                                 
CONECT   26   25   27   34                                            
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28   23                                                 
CONECT   30   28   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
CONECT   34   26   35   36   37                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D01OZO
  -OEChem-09301911202D

 66 71  0     1  0  0  0  0  0999 V2000
    5.4460    0.2600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.9302   -2.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9494    1.1279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9427   -0.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6622   -0.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4001   -0.4585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3140    0.7566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4697   -1.2308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9941   -0.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7962   -0.9827    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.9302   -0.4827    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.6282   -0.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9211    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8870    0.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7962   -1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0642   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9302    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1781    0.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1450    0.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4332   -0.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0642   -1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2642   -0.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1702   -0.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1702   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0642    1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2642   -2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0642    2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1981    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5781   -0.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1981    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3321    1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3321    2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6661    0.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4908   -1.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7962   -0.3627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3933   -0.1727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4677   -1.3404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2270   -0.9020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0815    1.0821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3222    0.6437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4859    0.0640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0475    0.8233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0083   -2.5653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4068   -1.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5408    0.4097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1422    1.0999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6847   -0.1222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7445    0.6666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9868    1.1079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8337   -0.8718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5913   -1.3131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1774    0.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1774   -3.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7284   -2.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3164    1.3766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6011    2.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1981   -0.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1981    3.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7952    0.7073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7952    2.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5395    0.7805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2364   -2.0004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0672    0.1577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3836   -0.3914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9328   -1.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  7  1  0  0  0  0
  1 29  1  0  0  0  0
  2 15  1  0  0  0  0
  2 21  1  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 22  1  0  0  0  0
  7 18  1  0  0  0  0
  7 56  1  0  0  0  0
  8 29  1  0  0  0  0
  8 34  2  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 36  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 37  1  0  0  0  0
 12 14  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 21  2  0  0  0  0
 16 23  1  0  0  0  0
 17 25  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 48  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 22 26  1  0  0  0  0
 23 53  1  0  0  0  0
 24 26  2  0  0  0  0
 24 54  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 26 55  1  0  0  0  0
 27 30  1  0  0  0  0
 27 57  1  0  0  0  0
 28 31  2  0  0  0  0
 28 58  1  0  0  0  0
 29 33  2  0  0  0  0
 30 32  2  0  0  0  0
 30 59  1  0  0  0  0
 31 32  1  0  0  0  0
 31 60  1  0  0  0  0
 32 61  1  0  0  0  0
 33 62  1  0  0  0  0
 34 63  1  0  0  0  0
 35 64  1  0  0  0  0
 35 65  1  0  0  0  0
 35 66  1  0  0  0  0
M  END

$$$$
D01PAP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.205  -1.069   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.022  -1.873   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.279  -2.231   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.465  -1.873   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.648  -1.069   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.134  -0.424   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.691  -0.424   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.993  -0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.598  -1.386   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.414  -2.191   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.626  -2.434   0.000  1.00  0.00           C  
HETATM   12  S   UNL     1       1.173  -2.296   0.000  1.00  0.00           S  
HETATM   13  C   UNL     1       1.794  -1.753   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.470  -0.995   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.598  -1.937   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.546   0.291   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.371   0.291   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.784   1.005   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.371   1.719   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       0.546   1.719   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.134   1.005   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.784   2.434   0.000  1.00  0.00           C  
CONECT    1    2    7    8                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   12                                            
CONECT    5    4    6   14                                            
CONECT    6    5    7   16                                            
CONECT    7    6    1                                                 
CONECT    8    1    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    2                                                 
CONECT   12    4   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13    5                                                 
CONECT   15   13                                                      
CONECT   16    6   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   19                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D01PCI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.513   0.598   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.513  -0.227   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.798  -0.640   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.084  -0.227   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.084   0.598   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.798   1.010   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.369   1.010   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.345   0.598   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -0.369   1.835   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.060   1.010   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.774   0.598   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.488   1.010   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.488   1.835   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.774   2.248   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.060   1.835   0.000  1.00  0.00           C  
HETATM   16  F   UNL     1       3.203   2.248   0.000  1.00  0.00           F  
HETATM   17  F   UNL     1       3.203   0.598   0.000  1.00  0.00           F  
HETATM   18  N   UNL     1      -3.126  -0.779   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1      -2.790  -1.533   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.970  -1.447   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.203  -2.248   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4   20                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13                                                      
CONECT   17   12                                                      
CONECT   18    2   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19    3                                                 
CONECT   21   19                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D01PFZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.072   1.444   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.072   0.619   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.357   0.206   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.357   0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.357   1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.357   1.856   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.072   1.856   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.072   2.681   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.357   3.094   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.357   2.681   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       1.786   1.444   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1       1.072   0.206   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.072  -0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.501   0.619   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.215   0.206   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.215  -0.619   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.786  -0.619   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.357  -1.031   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.357  -1.856   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.072  -2.269   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.786  -1.856   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.786  -1.031   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.501  -2.269   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.215  -2.681   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.501  -3.094   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.215  -1.856   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   14                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   12                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1   10                                            
CONECT    7    5    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    6                                                 
CONECT   11    7                                                      
CONECT   12    4   13                                                 
CONECT   13   12   20   24                                            
CONECT   14    2   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   13   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   13                                                 
CONECT   25   23   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D01PKZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.428  -0.911   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.428  -1.736   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.143  -2.149   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.857  -1.736   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.857  -0.911   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.143  -0.499   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.642  -1.991   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       3.127  -1.324   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.642  -0.656   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.286  -0.499   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.001  -0.911   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.001  -1.736   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.715  -0.499   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.430  -0.911   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.144  -0.499   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.897   0.128   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.694   0.342   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       3.907   1.139   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       4.704   1.352   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.918   2.149   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       5.287   0.769   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.144   0.326   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.858   0.739   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.573   0.326   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.573  -0.499   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.858  -0.911   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -5.287   0.739   0.000  1.00  0.00           F  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   16                                            
CONECT   10    1   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   22   26                                            
CONECT   16    9   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   15   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   15                                                 
CONECT   27   24                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D01PLJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.095   1.595   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.095   0.770   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.381   0.357   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.666   0.770   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.666   1.595   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.381   2.007   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.952   0.357   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.238   0.770   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.523   0.357   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.191   0.770   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.906   0.357   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.523  -0.468   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.906  -0.468   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.620  -0.880   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.335  -0.468   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.335   0.357   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.620   0.770   0.000  1.00  0.00           C  
HETATM   18  F   UNL     1       3.049   0.770   0.000  1.00  0.00           F  
HETATM   19  C   UNL     1      -3.381  -0.468   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.095  -0.880   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.095  -1.705   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.381  -2.118   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.666  -1.705   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.666  -0.880   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.810   2.007   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1      -5.524   1.595   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1      -4.810   2.832   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -5.524   2.420   0.000  1.00  0.00           F  
HETATM   29  C   UNL     1       3.049  -0.880   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       3.874  -0.880   0.000  1.00  0.00           N  
HETATM   31  S   UNL     1       4.699  -0.880   0.000  1.00  0.00           S  
HETATM   32  C   UNL     1       5.524  -0.880   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       4.699  -0.055   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1       4.699  -1.705   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1      -1.954  -2.118   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.367  -2.832   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.669  -1.705   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.542  -1.403   0.000  1.00  0.00           C  
CONECT    1    2    6   25                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   19                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11                                                 
CONECT   11   10   13   17                                            
CONECT   12    9                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   29                                            
CONECT   16   15   17   18                                            
CONECT   17   16   11                                                 
CONECT   18   16                                                      
CONECT   19    3   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   35                                            
CONECT   24   23   19                                                 
CONECT   25    1   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
CONECT   29   15   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   33   34                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
CONECT   35   23   36   37   38                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D01PPR
  -OEChem-09301911122D

 50 52  0     0  0  0  0  0  0999 V2000
    2.5369   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131    2.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116    2.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    2.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    2.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116    3.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131    4.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    4.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    3.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7550    5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    5.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5150    5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584   -3.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569   -3.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -5.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -3.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 45  1  0  0  0  0
  2 16  2  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 35  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 25  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 13  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 19  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 46  1  0  0  0  0
 21 23  2  0  0  0  0
 21 47  1  0  0  0  0
 22 24  2  0  0  0  0
 22 48  1  0  0  0  0
 23 24  1  0  0  0  0
 23 49  1  0  0  0  0
 24 50  1  0  0  0  0
M  END

$$$$
D01PSK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.715   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.715   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.429  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.143   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.143   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.429   1.444   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.858  -0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       3.572   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.572   1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.858   1.444   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       4.287   1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       4.287   2.269   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.572   2.681   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.858   2.269   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.000  -0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.715   0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.412  -0.921   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.429  -0.206   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.143   0.206   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.858  -0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.858  -1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.143  -1.444   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.429  -1.031   0.000  1.00  0.00           N  
HETATM   24  O   UNL     1      -3.572   0.206   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.287  -0.206   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.143  -2.269   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.429  -2.681   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       4.287  -0.206   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       0.411  -0.920   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -0.414  -0.920   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   15                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   28                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15    2   16   17   29                                       
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   18                                                 
CONECT   24   20   25                                                 
CONECT   25   24                                                      
CONECT   26   22   27                                                 
CONECT   27   26                                                      
CONECT   28    8                                                      
CONECT   29   15   30                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D01PUS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.784  -0.014   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.784  -0.839   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.070  -1.251   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.644  -0.839   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.644  -0.014   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.070   0.399   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       1.359  -1.251   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       2.073  -0.839   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       2.073  -0.014   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.359   0.399   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.073  -1.664   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.788  -2.076   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.502  -1.664   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.502  -0.839   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.788  -0.426   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       1.359   1.224   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       2.788   0.399   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.788   1.224   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.499  -1.251   0.000  1.00  0.00           O  
HETATM   20  S   UNL     1      -2.213  -0.839   0.000  1.00  0.00           S  
HETATM   21  C   UNL     1      -2.536  -1.561   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.354  -1.670   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.502  -2.482   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.776  -2.874   0.000  1.00  0.00           C  
HETATM   25  S   UNL     1      -2.179  -2.304   0.000  1.00  0.00           S  
HETATM   26  O   UNL     1      -2.928  -0.426   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1      -1.801  -0.124   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       3.502   1.636   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.502   2.461   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.788   2.874   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.073   2.461   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.073   1.636   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   19                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   11   15                                       
CONECT    9    8   10   17                                            
CONECT   10    9    5   16                                            
CONECT   11    8   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    8                                                 
CONECT   16   10                                                      
CONECT   17    9   18                                                 
CONECT   18   17   28   32                                            
CONECT   19    2   20                                                 
CONECT   20   19   21   26   27                                       
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
CONECT   26   20                                                      
CONECT   27   20                                                      
CONECT   28   18   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   18                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D01PXI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.356  -0.978   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.356  -1.803   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.641  -2.216   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.927  -1.803   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.927  -0.978   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.641  -0.566   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.142  -2.058   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.343  -1.391   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.142  -0.723   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.163  -1.304   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.499  -0.551   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.014   0.117   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.193   0.030   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.292   0.698   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.044   1.452   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.441   2.119   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.864   1.538   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.112   0.612   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       0.113  -2.843   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.920  -3.014   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1       1.175  -3.799   0.000  1.00  0.00           F  
HETATM   22  C   UNL     1      -0.105   2.873   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.200   2.292   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.020   2.378   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.356   3.131   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.871   3.799   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.050   3.713   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.715   2.959   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   19                                            
CONECT    8    7    9   10                                            
CONECT    9    8    5   13                                            
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    9   14                                            
CONECT   14   15   18   13                                            
CONECT   15   14   16   17                                            
CONECT   16   15   22                                                 
CONECT   17   15   23                                                 
CONECT   18   14                                                      
CONECT   19    7   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20                                                      
CONECT   22   16                                                      
CONECT   23   17   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D01PYM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.587  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.587  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.872  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.158  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.158  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.872   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.443   0.206   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.729  -0.206   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.015   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.700  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.415   0.206   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       1.415   1.031   0.000  1.00  0.00           O  
HETATM   13  P   UNL     1       2.129   1.444   0.000  1.00  0.00           P  
HETATM   14  O   UNL     1       2.129   2.269   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1      -2.872   1.031   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.587   1.444   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.443   1.031   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1      -4.301   1.031   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.587   2.269   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       0.700  -1.031   0.000  1.00  0.00           O  
HETATM   21  P   UNL     1       1.415  -1.444   0.000  1.00  0.00           P  
HETATM   22  O   UNL     1       1.415  -2.269   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       1.998  -0.860   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       2.366   0.515   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.785  -0.066   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.211  -1.657   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       3.587  -1.289   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.793  -1.076   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       2.541   0.729   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       3.775   0.017   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.364   0.729   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       2.926   1.230   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       4.301   1.599   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.507   1.812   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   15                                            
CONECT    7    5    8   17                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   20                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   29   32   12   14                                       
CONECT   14   13                                                      
CONECT   15    6   16                                                 
CONECT   16   15   18   19                                            
CONECT   17    7                                                      
CONECT   18   16                                                      
CONECT   19   16                                                      
CONECT   20   10   21                                                 
CONECT   21   23   26   20   22                                       
CONECT   22   21                                                      
CONECT   23   25   21                                                 
CONECT   24   25                                                      
CONECT   25   24   23                                                 
CONECT   26   28   21                                                 
CONECT   27   28                                                      
CONECT   28   27   26                                                 
CONECT   29   31   13                                                 
CONECT   30   31                                                      
CONECT   31   30   29                                                 
CONECT   32   34   13                                                 
CONECT   33   34                                                      
CONECT   34   33   32                                                 
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D01PZZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.907  -1.746   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.907  -2.571   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       3.621  -2.983   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       4.336  -2.571   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       4.336  -1.746   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       3.621  -1.333   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       3.621  -0.508   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       5.050  -2.983   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.192  -2.983   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.192  -1.333   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.478  -1.746   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.763  -1.333   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.049  -1.746   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       0.763  -0.508   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.705  -1.410   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.257  -2.023   0.000  1.00  0.00           C  
HETATM   17  S   UNL     1      -0.844  -2.738   0.000  1.00  0.00           S  
HETATM   18  C   UNL     1      -0.037  -2.566   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.876  -0.603   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.077  -1.937   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.413  -1.183   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.928  -0.516   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.264   0.238   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.084   0.324   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.569  -0.344   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.233  -1.097   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -3.420   1.078   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.124   1.848   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.894   2.143   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.190   1.373   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.230   2.897   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -5.050   2.983   0.000  1.00  0.00           C  
HETATM   33  H   UNL     1      -2.599   0.991   0.000  1.00  0.00           H  
HETATM   34  C   UNL     1      -2.562  -2.605   0.000  1.00  0.00           C  
HETATM   35  H   UNL     1      -3.127  -1.596   0.000  1.00  0.00           H  
CONECT    1    2    6   10                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    4                                                      
CONECT    9    2                                                      
CONECT   10    1   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   15   18                                            
CONECT   14   12                                                      
CONECT   15   13   16   19                                            
CONECT   16   15   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   15                                                      
CONECT   20   16   21   34                                            
CONECT   21   20   22   26   35                                       
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27   33                                       
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   24   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29   27                                                 
CONECT   31   29   32                                                 
CONECT   32   31                                                      
CONECT   33   24                                                      
CONECT   34   20                                                      
CONECT   35   21                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D01QNX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.589  -0.208   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.589  -1.033   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.875  -1.445   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.160  -1.033   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.160  -0.208   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.875   0.205   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.446  -1.445   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.731  -1.033   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.731  -0.208   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.446   0.205   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.017   0.205   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.017   1.030   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.731   1.442   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.446   1.030   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.232  -0.050   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.747   0.617   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.232   1.285   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -6.304  -1.445   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1      -2.017  -1.445   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.446  -2.270   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.160   0.617   0.000  1.00  0.00           C  
HETATM   22  H   UNL     1      -4.160  -1.858   0.000  1.00  0.00           H  
HETATM   23  C   UNL     1      -2.731  -2.683   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.931   1.850   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.977   2.070   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.170   2.241   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.529   2.683   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.413   1.658   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.210   1.871   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       1.793   1.288   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       2.590   1.501   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       3.173   0.918   0.000  1.00  0.00           N  
HETATM   33  O   UNL     1       2.804   2.298   0.000  1.00  0.00           O  
HETATM   34  S   UNL     1       3.970   1.131   0.000  1.00  0.00           S  
HETATM   35  C   UNL     1       4.554   0.548   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1       3.558   1.846   0.000  1.00  0.00           O  
HETATM   37  O   UNL     1       4.554   1.715   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1       4.340  -0.249   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       4.923  -0.832   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       5.720  -0.619   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       5.934   0.178   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       5.351   0.762   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       6.304  -1.202   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7   22                                       
CONECT    5    4    6   10   21                                       
CONECT    6    5    1                                                 
CONECT    7    4    8   20                                            
CONECT    8    7    9   19                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12   15                                            
CONECT   12   11   13   17   24                                       
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   25                                            
CONECT   18    2                                                      
CONECT   19    8                                                      
CONECT   20    7   23                                                 
CONECT   21    5                                                      
CONECT   22    4                                                      
CONECT   23   20                                                      
CONECT   24   12                                                      
CONECT   25   17   26   27                                            
CONECT   26   25   28                                                 
CONECT   27   25                                                      
CONECT   28   26   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   33                                            
CONECT   32   31   34                                                 
CONECT   33   31                                                      
CONECT   34   32   35   36   37                                       
CONECT   35   34   38   42                                            
CONECT   36   34                                                      
CONECT   37   34                                                      
CONECT   38   35   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41   43                                            
CONECT   41   40   42                                                 
CONECT   42   41   35                                                 
CONECT   43   40                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
M  END

$$$$
D01QPX
  -OEChem-09301911202D

 42 46  0     0  0  0  0  0  0999 V2000
    7.2921   -3.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4261   -1.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1581   -0.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1044   -1.9798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2921   -0.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5601   -0.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3508    3.7968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3621    3.8998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7257    1.5307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4261   -3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4261   -3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9261   -4.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2921   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1581   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4261   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1044   -0.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5601    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6940    2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5601    2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6880   -1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6940    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4261    1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4261    2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9570    2.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0187    4.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4150    0.5802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9785    2.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2656   -3.0762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3184   -3.0645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8435   -3.8871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4511   -4.9396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4010   -4.9396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8290   -3.4850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0231   -0.4850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1571    1.0150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3080   -1.1750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9630    1.0150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9630    2.6350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4802    4.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4328    5.0025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5572    4.9551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 14  1  0  0  0  0
  1 34  1  0  0  0  0
  2 14  2  0  0  0  0
  2 16  1  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  3 17  1  0  0  0  0
  4 15  2  0  0  0  0
  4 21  1  0  0  0  0
  5 16  2  0  0  0  0
  6 16  1  0  0  0  0
  6 18  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  7 26  1  0  0  0  0
  8 25  2  0  0  0  0
  9 27  3  0  0  0  0
 10 28  3  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 17 21  2  0  0  0  0
 17 27  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  2  0  0  0  0
 19 22  1  0  0  0  0
 19 25  1  0  0  0  0
 20 24  1  0  0  0  0
 21 37  1  0  0  0  0
 22 36  1  0  0  0  0
 23 24  2  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
 25 28  1  0  0  0  0
 26 40  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  END

$$$$
D01QYA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072   0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.357   1.031   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.357   0.619   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.072   1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.786   0.619   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.501   1.031   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       3.215   0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.501   1.856   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.215  -0.619   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.357  -0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.072  -0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.072  -1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.786  -1.856   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.501  -1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.501  -0.619   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   14                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   15                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14    2                                                      
CONECT   15    8   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D01RBE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.543  -0.236   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.516  -1.058   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.208  -1.446   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.907  -1.012   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.880  -0.191   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.156   0.198   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.631  -1.400   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.268   0.152   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.942  -0.318   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.294   0.974   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.719  -0.048   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.216  -0.703   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.746  -1.378   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.959  -1.139   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.744  -2.215   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.553  -2.360   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.941  -1.635   0.000  1.00  0.00           N  
HETATM   18  N   UNL     1       2.372  -1.042   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.559  -0.242   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.957   0.739   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.346  -0.004   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.533   0.797   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.933   1.359   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.147   1.121   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.959   0.321   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.394   1.339   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.632   2.126   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.433   2.313   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.995   1.714   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.757   0.927   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       3.121   2.160   0.000  1.00  0.00           F  
HETATM   32 CL   UNL     1       4.320   1.035   0.000  1.00  0.00          Cl  
HETATM   33  C   UNL     1      -3.016  -2.154   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1      -3.671   3.100   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -4.320   0.327   0.000  1.00  0.00           F  
HETATM   36  C   UNL     1       2.911  -3.100   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.824  -2.309   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.286  -2.931   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.478  -2.776   0.000  1.00  0.00           C  
CONECT    1    2    6    8                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4   15   18                                            
CONECT    8    1    9   10                                            
CONECT    9    8   11   14                                            
CONECT   10    8                                                      
CONECT   11    9   12   20                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   33                                            
CONECT   14   13    9                                                 
CONECT   15    7   16                                                 
CONECT   16   36   15   17                                            
CONECT   17   16   18                                                 
CONECT   18   17    7   19                                            
CONECT   19   18   21   25                                            
CONECT   20   11   26   30                                            
CONECT   21   19   22                                                 
CONECT   22   21   23   32                                            
CONECT   23   22   24   31                                            
CONECT   24   23   25                                                 
CONECT   25   24   19                                                 
CONECT   26   20   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   34                                            
CONECT   29   28   30                                                 
CONECT   30   29   20   35                                            
CONECT   31   23                                                      
CONECT   32   22                                                      
CONECT   33   37   38   39   13                                       
CONECT   34   28                                                      
CONECT   35   30                                                      
CONECT   36   16                                                      
CONECT   37   33                                                      
CONECT   38   33                                                      
CONECT   39   33                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D01RIT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.081   0.498   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.168  -0.323   0.000  1.00  0.00           N  
HETATM    3  N   UNL     1       0.974  -0.494   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.387   0.220   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.835   0.834   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.446  -0.875   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.230  -0.620   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.843  -1.172   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.672  -1.979   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.887  -2.234   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.274  -1.682   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.207   0.307   0.000  1.00  0.00           C  
HETATM   13 CL   UNL     1       0.510  -1.937   0.000  1.00  0.00          Cl  
HETATM   14  C   UNL     1       1.121   1.641   0.000  1.00  0.00           C  
HETATM   15 CL   UNL     1      -2.285  -2.531   0.000  1.00  0.00          Cl  
HETATM   16  N   UNL     1       2.759  -0.306   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.633   0.910   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.720   1.731   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.526   1.902   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.939   1.188   0.000  1.00  0.00           C  
HETATM   21  S   UNL     1      -1.387   0.575   0.000  1.00  0.00           S  
HETATM   22  C   UNL     1      -2.759   1.102   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.172   1.816   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.997   1.816   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.409   2.531   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.234   2.531   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       2.503   1.077   0.000  1.00  0.00           O  
HETATM   28  N   UNL     1       3.584  -0.306   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       3.997  -1.021   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.822  -1.021   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.234  -0.306   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.822   0.408   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.997   0.408   0.000  1.00  0.00           C  
CONECT    1    2    5   17                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   12                                            
CONECT    5    4    1   14                                            
CONECT    6    2    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   15                                            
CONECT   10    9   11                                                 
CONECT   11   10    6   13                                            
CONECT   12    4   16   27                                            
CONECT   13   11                                                      
CONECT   14    5                                                      
CONECT   15    9                                                      
CONECT   16   12   28                                                 
CONECT   17    1   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   17                                                 
CONECT   22   20   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25                                                      
CONECT   27   12                                                      
CONECT   28   16   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D01RQE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.644   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.644   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.930   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.215   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.215   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.930   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.501   0.412   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.786   0.825   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -1.786   1.650   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.501   2.062   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.072   2.062   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.357   1.650   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.357   2.062   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.072   1.650   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.072   0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.786   0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.501   0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.501   1.650   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.786   2.062   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.215   0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.215  -0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.930  -0.825   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.644  -0.412   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.644   0.412   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.930   0.825   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       3.930  -1.650   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       3.215  -2.062   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.501  -1.650   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       3.215  -2.888   0.000  1.00  0.00           O  
HETATM   30  N   UNL     1      -2.501  -0.412   0.000  1.00  0.00           N  
HETATM   31  O   UNL     1      -2.501   2.888   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.215  -0.825   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.215  -1.650   0.000  1.00  0.00           C  
HETATM   34  S   UNL     1      -2.501  -2.062   0.000  1.00  0.00           S  
HETATM   35  C   UNL     1      -1.786  -1.650   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.786  -0.825   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   30                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   31                                            
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   22   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30    7   32   36                                            
CONECT   31   10                                                      
CONECT   32   30   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   30                                                 
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D01RTO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858   1.522   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858   0.697   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143   0.284   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429   0.697   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429   1.522   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143   1.935   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.715   1.935   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.715   2.760   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1      -3.572   0.284   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1       0.000   1.522   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.715   1.935   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.429   1.522   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.429   0.697   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.143   0.284   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.858   0.697   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.858   1.522   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.143   1.935   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       2.143   2.760   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       3.572   0.284   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.143  -0.540   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.858  -0.953   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.858  -1.778   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.143  -2.191   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.429  -1.778   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.429  -0.953   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.425  -2.760   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.592  -2.537   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.970  -2.716   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.592  -1.425   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    9                                            
CONECT    3    2    4   20                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   10                                            
CONECT    8    7                                                      
CONECT    9    2                                                      
CONECT   10    7   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   18                                            
CONECT   18   17                                                      
CONECT   19   15                                                      
CONECT   20    3   21   25   29                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25   28                                            
CONECT   25   24   20                                                 
CONECT   26   22   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   24   27                                                 
CONECT   29   27   20                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D01RUI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572  -1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572  -2.062   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.858  -2.475   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.143  -2.062   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143  -1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.858  -0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429  -2.475   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.714  -2.062   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.714  -1.238   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.429  -0.825   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.000  -0.825   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.000   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.714   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.429   0.000   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.714   1.238   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.429   1.650   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.143   1.238   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.714   0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.429   0.000   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.143   0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.143   1.238   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.429   1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.714   1.238   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.858   1.650   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       2.858   2.475   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.572   1.238   0.000  1.00  0.00           C  
HETATM   28 BR   UNL     1       2.858   0.000   0.000  1.00  0.00          Br  
HETATM   29  O   UNL     1      -1.215   2.447   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -2.940   1.451   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.357   2.034   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12                                                 
CONECT   12   11   13   19                                            
CONECT   13   12   14   15                                            
CONECT   14   13   10   18                                            
CONECT   15   13   16                                                 
CONECT   16   15   17   29                                            
CONECT   17   16   18   30   31                                       
CONECT   18   17   14                                                 
CONECT   19   12   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   28                                            
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22   26   27                                            
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   21                                                      
CONECT   29   16                                                      
CONECT   30   17                                                      
CONECT   31   17                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END

$$$$

$$$$

$$$$
D01RUK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.475  -0.715   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.650  -0.715   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.238   0.000   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.412   0.000   0.000  1.00  0.00           N  
HETATM    5  O   UNL     1      -1.650   0.715   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1       0.000  -0.715   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.825  -0.715   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.238   0.000   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.825   0.715   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.000   0.715   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.062   0.000   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.475  -0.715   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       3.300  -0.715   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.712   0.000   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.300   0.715   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.475   0.715   0.000  1.00  0.00           C  
HETATM   17 CL   UNL     1       2.062   1.429   0.000  1.00  0.00          Cl  
HETATM   18  C   UNL     1       4.537   0.000   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.950  -0.715   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       5.775  -0.715   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1       4.950   0.715   0.000  1.00  0.00           O  
HETATM   22  F   UNL     1       1.650  -0.715   0.000  1.00  0.00           F  
HETATM   23  C   UNL     1      -2.888   0.000   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.712   0.000   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.125  -0.715   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.712  -1.429   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.888  -1.429   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.950  -0.715   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1      -5.775  -0.715   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -5.533  -0.131   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -5.533  -1.298   0.000  1.00  0.00           F  
CONECT    1    2   23   27                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    5                                            
CONECT    4    3    6   10                                            
CONECT    5    3                                                      
CONECT    6    4    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   11   22                                       
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    8   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   11   17                                            
CONECT   17   16                                                      
CONECT   18   14   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19                                                      
CONECT   21   18                                                      
CONECT   22    8                                                      
CONECT   23    1   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26    1                                                 
CONECT   28   25   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D01RXV
  -OEChem-09301911192D

 52 57  0     0  0  0  0  0  0999 V2000
    9.4778    3.0670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8135    4.5556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1206    1.3722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1601   -0.4483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4493   -1.6050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1660   -0.4526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -4.9824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4563    2.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1672    4.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1242    3.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8350    4.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8100    2.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8315    2.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4743    0.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8064    0.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1636    1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4708   -1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4528    0.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8280    0.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -3.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1171   -0.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8613   -1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -4.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -3.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -2.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -4.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -5.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2251    2.2855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9827    2.5332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7846    4.5054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6202    3.7255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5067    3.1172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6711    3.8971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0663    5.3371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3086    5.0895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2276    5.0171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6389    3.1182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5570    1.9125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6454    0.0386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6353    0.8853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7238   -0.9886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2720   -1.5914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -3.1724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.3278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -4.7924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -5.6370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -3.1495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -4.8153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 40  1  0  0  0  0
  3 12  2  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  4 21  1  0  0  0  0
  5 18  1  0  0  0  0
  5 23  2  0  0  0  0
  6 24  2  0  0  0  0
  7 25  1  0  0  0  0
  7 28  2  0  0  0  0
  8 10  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 13  1  0  0  0  0
 13 16  2  0  0  0  0
 13 41  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 19  2  0  0  0  0
 15 21  2  0  0  0  0
 15 23  1  0  0  0  0
 16 42  1  0  0  0  0
 17 18  2  0  0  0  0
 17 20  1  0  0  0  0
 17 24  1  0  0  0  0
 19 43  1  0  0  0  0
 20 22  1  0  0  0  0
 20 26  2  0  0  0  0
 21 44  1  0  0  0  0
 22 25  1  0  0  0  0
 22 27  2  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 29  2  0  0  0  0
 26 28  1  0  0  0  0
 26 47  1  0  0  0  0
 27 30  1  0  0  0  0
 27 48  1  0  0  0  0
 28 49  1  0  0  0  0
 29 31  1  0  0  0  0
 29 50  1  0  0  0  0
 30 31  2  0  0  0  0
 30 51  1  0  0  0  0
 31 52  1  0  0  0  0
M  END

$$$$
D01SQO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.064   0.691   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.064  -0.134   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.349  -0.546   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.635  -0.134   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.635   0.691   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.349   1.103   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.080  -0.546   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.794  -0.134   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.794   0.691   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.080   1.103   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.579  -0.389   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.064   0.279   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.579   0.946   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       1.991  -1.103   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10   13                                            
CONECT   10    9    5                                                 
CONECT   11    8   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    9                                                 
CONECT   14   11                                                      
MASTER        0    0    0    0    0    0    0    0   14    0   14    0
END
M  END

$$$$
D01SYN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.466   1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.466   0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.752   0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.037   0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.037   1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.752   1.856   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -5.181   1.856   0.000  1.00  0.00           F  
HETATM    8  F   UNL     1      -5.181   0.206   0.000  1.00  0.00           F  
HETATM    9  C   UNL     1      -2.323   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.609   0.619   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.323  -0.619   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.323   1.031   0.000  1.00  0.00           C  
HETATM   13  F   UNL     1      -2.736   1.746   0.000  1.00  0.00           F  
HETATM   14  F   UNL     1      -1.911   1.746   0.000  1.00  0.00           F  
HETATM   15  N   UNL     1      -0.894   0.206   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.180   0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.180   1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.894   1.856   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.609   1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.609  -1.031   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.609  -1.856   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.894  -0.619   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       0.535   1.856   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       1.249   1.444   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       1.249   0.619   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.964   0.206   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.678   0.619   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.678   1.444   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.964   1.856   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       2.678  -0.206   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       3.463  -0.461   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.948   0.206   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.463   0.874   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.768   0.292   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       5.104   1.046   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1       4.619   1.714   0.000  1.00  0.00           N  
HETATM   37  C   UNL     1       3.799   1.627   0.000  1.00  0.00           C  
HETATM   38  F   UNL     1       5.181  -0.422   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    2                                                      
CONECT    9    4   10   11   12                                       
CONECT   10    9   15   19                                            
CONECT   11    9   20                                                 
CONECT   12    9   13   14                                            
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15   10   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   23                                            
CONECT   18   17   19                                                 
CONECT   19   18   10                                                 
CONECT   20   11   21   22                                            
CONECT   21   20                                                      
CONECT   22   20                                                      
CONECT   23   17   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30   33                                       
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   34                                            
CONECT   33   32   27   37                                            
CONECT   34   32   35   38                                            
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   33                                                 
CONECT   38   34                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D01TDT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.853  -0.617   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.853   0.205   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.141   0.617   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429   0.205   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429  -0.617   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.141  -1.028   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -3.565  -1.028   0.000  1.00  0.00          Cl  
HETATM    8 CL   UNL     1      -2.141  -1.850   0.000  1.00  0.00          Cl  
HETATM    9  C   UNL     1      -0.717   0.617   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.717   1.439   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.005   1.850   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.707   1.439   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.707   0.617   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.005   0.205   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.421   0.204   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       2.136   0.617   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       2.850   0.204   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.565   0.617   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.850  -0.621   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       1.421  -0.621   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    1                                                      
CONECT    8    6                                                      
CONECT    9    4   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13    9                                                 
CONECT   15   13   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20   15                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D01TGE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.428   2.213   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.428   1.389   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.714   0.976   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.001   1.389   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.001   2.213   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.714   2.626   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.143   0.976   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.143   0.151   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.428  -0.262   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.857   1.389   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.572   0.976   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.286   1.389   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.572   0.151   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.428  -1.087   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.714  -1.499   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.001  -1.087   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.001  -0.262   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.714   0.151   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.715   2.626   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.430   2.213   0.000  1.00  0.00           N  
HETATM   21  O   UNL     1       0.715   3.451   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       2.144   2.626   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.859   2.213   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.715  -1.499   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.715  -2.324   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.430  -2.736   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.144  -2.324   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.144  -1.499   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.430  -1.087   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.858  -2.736   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       2.446  -3.451   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       2.144  -2.324   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       3.271  -2.022   0.000  1.00  0.00           F  
HETATM   34  C   UNL     1       3.572   2.626   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1       3.572   3.451   0.000  1.00  0.00           O  
HETATM   36  O   UNL     1       4.286   2.213   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   19                                            
CONECT    6    5    1                                                 
CONECT    7    2    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8   14   18                                            
CONECT   10    7   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14    9   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   24                                            
CONECT   17   16   18                                                 
CONECT   18   17    9                                                 
CONECT   19    5   20   21                                            
CONECT   20   19   22                                                 
CONECT   21   19                                                      
CONECT   22   20   23                                                 
CONECT   23   22   34                                                 
CONECT   24   16   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
CONECT   34   23   35   36                                            
CONECT   35   34                                                      
CONECT   36   34                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D01THA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -3.572   0.206   0.000  1.00  0.00          Cl  
HETATM    8  O   UNL     1      -3.572  -1.444   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.287  -1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.001  -1.444   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.715   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.000  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.715   0.206   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.715   1.031   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.000   1.444   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.715   1.031   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       1.429  -0.206   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       2.143   0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.858  -0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.572   0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.287  -0.206   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       5.001   0.206   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       5.001   1.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.287   1.444   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.572   1.031   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.858  -1.031   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    2    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9                                                      
CONECT   11    5   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   13   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   26                                            
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   19                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D01TJW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.659  -1.913   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.484  -1.913   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.897  -1.198   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.484  -0.484   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.659  -0.484   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.247  -1.198   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.897   0.231   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.722   0.231   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.134   0.945   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.722   1.660   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.897   1.660   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.484   0.945   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.247   0.231   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.578   0.231   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.991  -0.484   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.991   0.945   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.705   1.358   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.420   0.945   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.420   0.120   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1      -3.134   1.358   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.038   1.843   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.293   2.627   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.118   2.627   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.373   1.843   0.000  1.00  0.00           C  
HETATM   25 CL   UNL     1       0.247  -2.627   0.000  1.00  0.00          Cl  
HETATM   26 CL   UNL     1       2.722  -1.198   0.000  1.00  0.00          Cl  
CONECT    1    2    6   25                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   26                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   13                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    5   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18   21   24                                       
CONECT   18   17   19   20                                            
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   17   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   17                                                 
CONECT   25    1                                                      
CONECT   26    3                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D01UAL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNK A   0      -4.287  -0.824   0.000  1.00  0.00           N  
HETATM    2  C   UNK A   0      -4.287  -1.649   0.000  1.00  0.00           C  
HETATM    3  N   UNK A   0      -3.572  -2.061   0.000  1.00  0.00           N  
HETATM    4  C   UNK A   0      -2.858  -1.649   0.000  1.00  0.00           C  
HETATM    5  C   UNK A   0      -2.858  -0.824   0.000  1.00  0.00           C  
HETATM    6  C   UNK A   0      -3.572  -0.411   0.000  1.00  0.00           C  
HETATM    7  N   UNK A   0      -2.073  -1.904   0.000  1.00  0.00           N  
HETATM    8  C   UNK A   0      -1.588  -1.236   0.000  1.00  0.00           C  
HETATM    9  N   UNK A   0      -2.073  -0.569   0.000  1.00  0.00           N  
ATOM     10  N   VAL A   1      -5.001  -2.061   0.000  1.00  0.00           N  
ATOM     11  CA  VAL A   1      -5.716  -1.649   0.000  1.00  0.00           C  
ATOM     12  C   VAL A   1      -6.430  -2.061   0.000  1.00  0.00           C  
ATOM     13  O   VAL A   1      -7.145  -1.649   0.000  1.00  0.00           O  
HETATM   14  C   UNK A   0      -1.818  -2.688   0.000  1.00  0.00           C  
HETATM   15  C   UNK A   0      -2.370  -3.301   0.000  1.00  0.00           C  
HETATM   16  C   UNK A   0      -1.011  -2.860   0.000  1.00  0.00           C  
HETATM   17  N   UNK A   0      -3.572   0.414   0.000  1.00  0.00           N  
HETATM   18  C   UNK A   0      -2.858   0.826   0.000  1.00  0.00           C  
HETATM   19  C   UNK A   0      -2.143   0.414   0.000  1.00  0.00           C  
HETATM   20  C   UNK A   0      -1.429   0.826   0.000  1.00  0.00           C  
HETATM   21  C   UNK A   0      -1.429   1.651   0.000  1.00  0.00           C  
HETATM   22  C   UNK A   0      -2.143   2.064   0.000  1.00  0.00           C  
HETATM   23  C   UNK A   0      -2.858   1.651   0.000  1.00  0.00           C  
HETATM   24 CL   UNK A   0      -2.143   2.889   0.000  1.00  0.00          Cl  
HETATM   25  C   UNK A   0      -0.715   2.064   0.000  1.00  0.00           C  
HETATM   26  N   UNK A   0       0.000   1.651   0.000  1.00  0.00           N  
HETATM   27  O   UNK A   0      -0.715   2.889   0.000  1.00  0.00           O  
HETATM   28  C   UNK A   0       0.715   2.064   0.000  1.00  0.00           C  
HETATM   29  C   UNK A   0       1.429   1.651   0.000  1.00  0.00           C  
HETATM   30  N   UNK A   0       2.143   2.064   0.000  1.00  0.00           N  
HETATM   31  C   UNK A   0       3.572   2.064   0.000  1.00  0.00           C  
HETATM   32  C   UNK A   0       4.287   1.651   0.000  1.00  0.00           C  
HETATM   33  C   UNK A   0       5.001   2.064   0.000  1.00  0.00           C  
HETATM   34  C   UNK A   0       5.001   2.889   0.000  1.00  0.00           C  
HETATM   35  C   UNK A   0       4.287   3.301   0.000  1.00  0.00           C  
HETATM   36  C   UNK A   0       3.572   2.889   0.000  1.00  0.00           C  
HETATM   37  C   UNK A   0       4.287   0.826   0.000  1.00  0.00           C  
HETATM   38  C   UNK A   0       5.001   0.414   0.000  1.00  0.00           C  
HETATM   39  C   UNK A   0       5.716   0.826   0.000  1.00  0.00           C  
HETATM   40  C   UNK A   0       5.716   1.651   0.000  1.00  0.00           C  
HETATM   41  N   UNK A   0       6.430   2.064   0.000  1.00  0.00           N  
HETATM   42  C   UNK A   0       7.145   1.651   0.000  1.00  0.00           C  
HETATM   43  C   UNK A   0       6.430   2.889   0.000  1.00  0.00           C  
ATOM     44  CB  VAL A   1      -5.716  -0.824   0.000  1.00  0.00           C  
ATOM     45  CG1 VAL A   1      -6.430  -0.411   0.000  1.00  0.00           C  
ATOM     46  CG2 VAL A   1      -5.001  -0.411   0.000  1.00  0.00           C  
HETATM   47  S   UNK A   0       2.857   1.432   0.000  1.00  0.00           S  
HETATM   48  O   UNK A   0       2.327   2.064   0.000  1.00  0.00           O  
HETATM   49  O   UNK A   0       3.388   2.064   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   17                                            
CONECT    7    4    8   14                                            
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    2   11                                                 
CONECT   11   10   12   44                                            
CONECT   12   11   13                                                 
CONECT   13   12                                                      
CONECT   14    7   15   16                                            
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17    6   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23   24                                            
CONECT   23   22   18                                                 
CONECT   24   22                                                      
CONECT   25   21   26   27                                            
CONECT   26   25   28                                                 
CONECT   27   25                                                      
CONECT   28   26   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   47                                                 
CONECT   31   32   36   47                                            
CONECT   32   31   33   37                                            
CONECT   33   32   34   40                                            
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
CONECT   37   32   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   33   41                                            
CONECT   41   40   42   43                                            
CONECT   42   41                                                      
CONECT   43   41                                                      
CONECT   44   11   45   46                                            
CONECT   45   44                                                      
CONECT   46   44                                                      
CONECT   47   30   31   48   49                                       
CONECT   48   47                                                      
CONECT   49   47                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
M  END

$$$$
D01UBA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.716   0.908   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.716   0.084   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.430  -0.329   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       3.145   0.084   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       3.145   0.908   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.430   1.321   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       3.859   1.321   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1       3.859  -0.329   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       1.001  -0.329   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.287   0.084   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.428  -0.329   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.181   0.007   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.733  -0.607   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.321  -1.321   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1      -0.514  -1.149   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.554  -0.520   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.039  -1.188   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.859  -1.101   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    4                                                      
CONECT    9    2   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D01UIJ
  -OEChem-09301911252D

 70 75  0     0  0  0  0  0  0999 V2000
    6.0010    3.6682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3209    4.9853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.3318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.8318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -6.3318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.1682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8133    0.8634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.6682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.6682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2460    6.1832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.8318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0305    5.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2215    3.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0523    5.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5523    4.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8133    2.4729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3969    1.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1240    3.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1024    3.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4561    4.1677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4131    4.5802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7453    5.3245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7668    5.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2178    5.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9621    6.6418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -5.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1026    3.5490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6505    5.1627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0953    5.7793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7199    3.3970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5315    3.2245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2439    5.9602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4859    5.6228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0508    4.8690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    4.0438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0169    1.6682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0059    0.2741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5165    3.1682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8494    4.0399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3527    5.5797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -2.1418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3762    6.1804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4236    7.0559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5481    7.1033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6150   -5.4145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0135   -4.7242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5571   -1.3688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -1.1418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1771   -0.2949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249   -4.7492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264   -5.4395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.6418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 17  1  0  0  0  0
  2 26  1  0  0  0  0
  2 32  1  0  0  0  0
  3 30  1  0  0  0  0
  3 39  1  0  0  0  0
  4 37  2  0  0  0  0
  5 40  1  0  0  0  0
  5 70  1  0  0  0  0
  6 17  2  0  0  0  0
  6 23  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 51  1  0  0  0  0
  8 20  1  0  0  0  0
  8 23  2  0  0  0  0
  9 23  1  0  0  0  0
  9 29  1  0  0  0  0
  9 54  1  0  0  0  0
 10 27  1  0  0  0  0
 10 32  2  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 62  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 41  1  0  0  0  0
 13 15  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 16  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 16  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 50  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 52  1  0  0  0  0
 25 28  2  0  0  0  0
 25 53  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 55  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 33  1  0  0  0  0
 31 35  2  0  0  0  0
 31 56  1  0  0  0  0
 32 36  1  0  0  0  0
 33 34  2  0  0  0  0
 33 57  1  0  0  0  0
 34 35  1  0  0  0  0
 34 37  1  0  0  0  0
 35 58  1  0  0  0  0
 36 59  1  0  0  0  0
 36 60  1  0  0  0  0
 36 61  1  0  0  0  0
 38 40  1  0  0  0  0
 38 63  1  0  0  0  0
 38 64  1  0  0  0  0
 39 65  1  0  0  0  0
 39 66  1  0  0  0  0
 39 67  1  0  0  0  0
 40 68  1  0  0  0  0
 40 69  1  0  0  0  0
M  END

$$$$
D01UPA
  -OEChem-09301911242D

 19 19  0     0  0  0  0  0  0999 V2000
    6.0010    0.7500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.2500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9169   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1569   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  4  7  1  0  0  0  0
  4 19  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END

$$$$
D01UTX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.429   2.269   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.429   1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.143   1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.858   1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.858   2.269   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.143   2.681   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.143   0.206   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.429  -0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.429  -1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.143  -1.444   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.858  -1.031   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.858  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.715  -1.444   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       0.715  -2.269   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1       0.000  -1.031   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1       2.143  -2.269   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.715  -1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.429  -1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.143  -1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.143  -2.269   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.429  -2.681   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.715  -2.269   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.429  -0.206   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.715   0.206   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.715   1.031   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.429   1.444   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.143   1.031   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.429   2.269   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.858   1.444   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       0.000   1.444   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.000   2.269   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.715   2.681   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1      -2.012   2.027   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11   16                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    9   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   17                                                 
CONECT   16   10                                                      
CONECT   17   15   18   22                                            
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   18   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   31                                            
CONECT   26   25   27   29   34                                       
CONECT   27   26   28   30                                            
CONECT   28   27   23                                                 
CONECT   29   26   33                                                 
CONECT   30   27                                                      
CONECT   31   25   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   29                                                 
CONECT   34   26                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D01VHD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       3.191   1.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       3.191   1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       3.906   0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       4.620   1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       4.620   1.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.906   2.269   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.477   2.269   0.000  1.00  0.00           C  
HETATM    8  S   UNL     1       1.762   1.856   0.000  1.00  0.00           S  
HETATM    9  C   UNL     1       1.048   2.269   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.333   1.856   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.381   2.269   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.096   1.856   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.810   2.269   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.525   1.856   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.239   2.269   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -4.029   1.792   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1      -0.381   3.094   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       0.333   1.031   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.048   0.619   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       1.762   1.031   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       1.048  -0.206   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.333  -0.619   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.333  -1.444   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       1.048  -1.856   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       1.762  -1.444   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.762  -0.619   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.381  -0.206   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.096  -0.619   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.096  -1.444   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.381  -1.856   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.477  -1.856   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.477  -2.681   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.191  -3.094   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.906  -2.681   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.906  -1.856   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.191  -1.444   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       5.335   0.619   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.783   2.127   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.335   1.514   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.922   0.800   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.115   0.971   0.000  1.00  0.00           C  
HETATM   42  O   UNL     1      -4.996   2.924   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   37                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   18                                            
CONECT   11   10   12   17                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   38   41   15                                            
CONECT   17   11                                                      
CONECT   18   10   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19                                                      
CONECT   21   19   22   26                                            
CONECT   22   21   23   27                                            
CONECT   23   22   24   30                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   31                                            
CONECT   26   25   21                                                 
CONECT   27   22   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   23                                                 
CONECT   31   25   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
CONECT   37    4                                                      
CONECT   38   16   39   42                                            
CONECT   39   38   40                                                 
CONECT   40   39   41                                                 
CONECT   41   40   16                                                 
CONECT   42   38                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D01VJR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.471   0.356   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.471  -0.469   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.756  -0.881   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.042  -0.469   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.042   0.356   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.756   0.769   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.257  -0.724   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.228  -0.056   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.257   0.611   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -1.756  -1.706   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.002   1.396   0.000  1.00  0.00           C  
HETATM   12  S   UNL     1      -2.471  -2.119   0.000  1.00  0.00           S  
HETATM   13  C   UNL     1      -2.058  -2.833   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.185  -2.531   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1      -2.883  -1.404   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       0.211   2.193   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.008   2.406   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.795   1.182   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.799   1.609   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.008   0.385   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.805   0.172   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.388   0.755   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.175   1.552   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.378   1.766   0.000  1.00  0.00           C  
HETATM   25 CL   UNL     1       3.185   0.542   0.000  1.00  0.00          Cl  
HETATM   26  C   UNL     1      -1.013   2.406   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.810   2.620   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.606   2.833   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   10                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   11                                            
CONECT   10    3   12                                                 
CONECT   11    9   16   18   19                                       
CONECT   12   10   13   14   15                                       
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15   12                                                      
CONECT   16   11   17                                                 
CONECT   17   16                                                      
CONECT   18   11   20   24                                            
CONECT   19   11   26                                                 
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
CONECT   25   22                                                      
CONECT   26   19   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D01VMN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.619  -1.925   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.619  -2.748   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.907  -3.159   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.195  -2.748   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.195  -1.925   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.904  -1.516   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.483  -1.514   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.771  -1.925   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.059  -1.514   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.653  -1.925   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.365  -1.514   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1       2.116  -1.849   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       2.666  -1.238   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.255  -0.526   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.451  -0.697   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.590   0.225   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       3.407   0.311   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       2.107   0.890   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       3.742   1.062   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.259   1.728   0.000  1.00  0.00           C  
HETATM   21  B   UNL     1       4.559   1.148   0.000  1.00  0.00           B  
HETATM   22  O   UNL     1       5.043   0.483   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       4.894   1.899   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.483  -0.692   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       3.593   2.478   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.331  -3.159   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -5.043  -3.570   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -5.043  -2.748   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -4.331  -3.981   0.000  1.00  0.00           F  
HETATM   30  O   UNL     1      -1.483  -3.159   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -1.483  -3.981   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.411   2.564   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.745   3.316   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.262   3.981   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.444   3.895   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.110   3.144   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   26                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   30                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   24                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   11                                                 
CONECT   16   14   17   18                                            
CONECT   17   16   19                                                 
CONECT   18   16                                                      
CONECT   19   17   20   21                                            
CONECT   20   19   25                                                 
CONECT   21   19   22   23                                            
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24    7                                                      
CONECT   25   20   32   36                                            
CONECT   26    2   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30    4   31                                                 
CONECT   31   30                                                      
CONECT   32   25   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   25                                                 
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D01VTT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.930  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.215  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.644  -1.444   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.072  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.357   0.206   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.357  -0.206   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.072   0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.357   1.031   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       2.501   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.215  -0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.930   0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.930   1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.215   1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.501   1.031   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       4.644   1.444   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    3                                                      
CONECT    8    6    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   15                                                 
CONECT   14   10                                                      
CONECT   15   13   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D01VZE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.842  -0.894   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.842  -0.069   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.058   0.185   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.573  -0.482   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.058  -1.149   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.557  -0.482   0.000  1.00  0.00           C  
HETATM    7  H   UNL     1      -2.255  -1.609   0.000  1.00  0.00           H  
HETATM    8  H   UNL     1      -2.425   0.514   0.000  1.00  0.00           H  
HETATM    9  O   UNL     1       0.252  -0.482   0.000  1.00  0.00           O  
HETATM   10  H   UNL     1      -3.140   0.101   0.000  1.00  0.00           H  
HETATM   11  C   UNL     1      -3.382  -0.482   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.965   0.101   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -3.965  -1.065   0.000  1.00  0.00           O  
HETATM   14  S   UNL     1      -0.844   0.982   0.000  1.00  0.00           S  
HETATM   15  N   UNL     1      -1.271  -1.946   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.343  -1.562   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.343  -2.387   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       0.665   0.233   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.490   0.233   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.902  -0.482   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.727  -0.482   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.140   0.233   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.727   0.947   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.902   0.947   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       0.454  -1.348   0.000  1.00  0.00           O  
HETATM   26 CL   UNL     1       3.140   1.661   0.000  1.00  0.00          Cl  
HETATM   27 CL   UNL     1       3.965   0.233   0.000  1.00  0.00          Cl  
HETATM   28  C   UNL     1      -0.130   1.395   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       0.624   1.059   0.000  1.00  0.00           N  
HETATM   30  N   UNL     1       1.176   1.672   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       0.764   2.387   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1      -0.043   2.215   0.000  1.00  0.00           N  
CONECT    1    2    5    6    7                                       
CONECT    2    1    3    6    8                                       
CONECT    3    2    4   14                                            
CONECT    4    3    5    9                                            
CONECT    5    4    1   15   16                                       
CONECT    6    1    2   10   11                                       
CONECT    7    1                                                      
CONECT    8    2                                                      
CONECT    9    4   18                                                 
CONECT   10    6                                                      
CONECT   11    6   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14    3   28                                                 
CONECT   15    5                                                      
CONECT   16    5   17   25                                            
CONECT   17   16                                                      
CONECT   18    9   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24   26                                            
CONECT   24   23   19                                                 
CONECT   25   16                                                      
CONECT   26   23                                                      
CONECT   27   22                                                      
CONECT   28   14   29   32                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   28                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D01WAJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.939  -1.385   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.939  -2.209   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.224  -2.622   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.510  -2.209   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.510  -1.385   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.224  -0.972   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.275  -2.465   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.760  -1.797   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.275  -1.130   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       1.585  -1.797   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.530  -0.345   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.337  -0.173   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.592   0.611   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.040   1.224   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.233   1.053   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.022   0.268   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.399   0.783   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.654   1.567   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.102   2.180   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.295   2.009   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       0.743   2.622   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.654  -0.972   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.829  -0.972   0.000  1.00  0.00           N  
CONECT    1    2    6   22                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5   11                                            
CONECT   10    8                                                      
CONECT   11    9   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15   20                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   13   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   14   21                                            
CONECT   21   20                                                      
CONECT   22    1   23                                                 
CONECT   23   22                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D01WCU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.609  -2.220   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.784  -2.220   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.371  -1.505   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.784  -0.791   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.609  -0.791   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.021  -1.505   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.846  -1.505   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.212  -0.922   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       0.212  -2.089   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.037  -0.922   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.292  -0.137   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.625   0.348   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.043  -0.137   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.046   0.198   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.132   1.019   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.464   1.504   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.711   1.168   0.000  1.00  0.00           C  
HETATM   18  S   UNL     1      -0.840   0.076   0.000  1.00  0.00           S  
HETATM   19  C   UNL     1      -1.252   0.791   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.256   0.660   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.637  -0.137   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.840   1.505   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.252   2.220   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.077   2.220   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.490   1.505   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.077   0.791   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       2.846   1.431   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    8    9                                       
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    3   10   13                                            
CONECT    9    3                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13   17                                            
CONECT   13   12    8   18                                            
CONECT   14   11   15                                                 
CONECT   15   14   16   27                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   13   19   20   21                                       
CONECT   19   18   22   26                                            
CONECT   20   18                                                      
CONECT   21   18                                                      
CONECT   22   19   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   19                                                 
CONECT   27   15                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D01WHH
  -OEChem-09301911202D

 43 45  0     0  0  0  0  0  0999 V2000
    2.0000   -0.5917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4978    1.8584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.3965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.1635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4798   -0.1683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7870    3.0151    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4513    4.5037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -3.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335   -3.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441   -4.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5013   -2.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    0.3698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    1.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5013   -0.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226    1.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4763    2.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7905    0.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1191    3.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2411   -3.4343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8344   -3.9666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6408   -2.9639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5548   -4.6963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3367   -5.0930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7334   -4.3111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9628   -3.2230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9154   -2.3474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0398   -2.3948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4409    0.6250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.4017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3087   -0.9639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3152    2.1158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3972    0.9101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3936    3.1430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 24  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  4 13  2  0  0  0  0
  5 13  1  0  0  0  0
  5 20  1  0  0  0  0
  5 38  1  0  0  0  0
  6 22  2  0  0  0  0
  6 25  1  0  0  0  0
  7 24  1  0  0  0  0
  7 26  1  0  0  0  0
  7 43  1  0  0  0  0
  8 26  3  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 18  2  0  0  0  0
 16 36  1  0  0  0  0
 17 19  2  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 40  1  0  0  0  0
 23 25  2  0  0  0  0
 23 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  END

$$$$
D01WQX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.947   2.426   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.122   2.426   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.710   1.711   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.122   0.997   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.947   0.997   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.360   1.711   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.115   1.711   0.000  1.00  0.00           C  
HETATM    8  F   UNL     1       3.528   1.711   0.000  1.00  0.00           F  
HETATM    9  N   UNL     1      -0.600   2.379   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.385   2.124   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.385   1.299   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.600   1.044   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.099   2.536   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.814   2.124   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.814   1.299   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.099   0.886   0.000  1.00  0.00           C  
HETATM   17 CL   UNL     1      -3.528   0.886   0.000  1.00  0.00          Cl  
HETATM   18  C   UNL     1      -0.345   0.259   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.897  -0.354   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.704  -0.182   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1      -0.642  -1.139   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       0.165  -1.310   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.194  -1.752   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.419  -2.095   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.940  -2.536   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    3    9   12                                            
CONECT    8    6                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12   16                                            
CONECT   12   11    7   18                                            
CONECT   13   10   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   11                                                 
CONECT   17   15                                                      
CONECT   18   12   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19                                                      
CONECT   21   19   22   23                                            
CONECT   22   21   24                                                 
CONECT   23   21   25                                                 
CONECT   24   22                                                      
CONECT   25   23                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D01WWN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.257   1.778   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.257   0.953   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.543   0.541   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.829   0.953   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.829   1.778   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.543   2.191   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.114   0.541   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.028  -0.280   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.221  -0.451   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.192   0.263   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.360   0.876   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -3.972   2.191   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1      -1.641  -0.832   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.426  -0.577   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.039  -1.129   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.867  -1.936   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.083  -2.191   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.469  -1.639   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -0.685  -1.894   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1      -0.189   1.683   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.012   0.349   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.497  -0.318   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1       1.348   1.103   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       2.322  -0.318   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.735  -1.032   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.559  -1.032   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       3.972  -0.318   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       3.559   0.397   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.735   0.397   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   21                                            
CONECT   11   10    7   20                                            
CONECT   12    1                                                      
CONECT   13    8   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13   19                                            
CONECT   19   18                                                      
CONECT   20   11                                                      
CONECT   21   10   22   23                                            
CONECT   22   21   24                                                 
CONECT   23   21                                                      
CONECT   24   22   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D01XFM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.786   0.221   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.608   0.154   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.077   0.833   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.724   1.579   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.901   1.645   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       0.432   0.967   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.390   1.033   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.899   0.766   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       3.252   0.021   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       4.075  -0.046   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       4.428  -0.791   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       5.250  -0.858   0.000  1.00  0.00           O  
HETATM   13  S   UNL     1      -0.819   1.738   0.000  1.00  0.00           S  
HETATM   14  C   UNL     1      -1.622   1.547   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.689   0.725   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.927   0.407   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.393   0.296   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.117   0.691   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.822   0.262   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.802  -0.563   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.078  -0.959   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.374  -0.529   0.000  1.00  0.00           C  
HETATM   23 XX   UNL     1      -4.546   0.657   0.000  1.00  0.00          Xx  
HETATM   24  C   UNL     1      -5.250   0.228   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.231  -0.597   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.507  -0.992   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.976  -1.671   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.153  -1.738   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.080   1.286   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.077   1.336   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       4.544   0.633   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6   13   16                                            
CONECT    8    3    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   31                                            
CONECT   11   10   12                                                 
CONECT   12   11                                                      
CONECT   13    7   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15    7                                                 
CONECT   17   15   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21   26                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   19   24   29   30                                       
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   20   27   28                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   23                                                      
CONECT   30   23                                                      
CONECT   31   10                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D01XIW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.447  -0.047   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.447  -0.872   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.268  -1.285   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.982  -0.872   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.982  -0.047   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.268   0.365   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       1.697   0.365   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       2.411  -0.047   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.126   0.365   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.879   0.030   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       4.431   0.643   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1       4.019   1.357   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       3.212   1.186   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.051  -0.777   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.438  -1.329   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.609  -2.136   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.394  -2.391   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       5.007  -1.839   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.835  -1.032   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.599   1.738   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1       2.653  -1.074   0.000  1.00  0.00          Cl  
HETATM   22 CL   UNL     1       5.448  -0.480   0.000  1.00  0.00          Cl  
HETATM   23  C   UNL     1       2.344   2.522   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.792   1.909   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.161   0.365   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.876  -0.047   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.876  -0.872   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.590  -1.285   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.305  -0.872   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.019  -1.285   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.019  -2.110   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.305  -2.522   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.590  -2.110   0.000  1.00  0.00           C  
HETATM   34  H   UNL     1       0.268  -2.110   0.000  1.00  0.00           H  
HETATM   35  N   UNL     1      -1.162  -1.697   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1      -1.162  -0.872   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.734  -0.872   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1      -4.734  -0.047   0.000  1.00  0.00           O  
HETATM   39  O   UNL     1      -5.448  -1.285   0.000  1.00  0.00           O  
CONECT    1    2    6   25                                            
CONECT    2    1    3   35                                            
CONECT    3    2    4   34                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    9   20                                            
CONECT   14   10   15   19                                            
CONECT   15   14   16   21                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14   22                                            
CONECT   20   13   23   24                                            
CONECT   21   15                                                      
CONECT   22   19                                                      
CONECT   23   20   24                                                 
CONECT   24   23   20                                                 
CONECT   25    1   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   35                                            
CONECT   28   27   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31   37                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34    3                                                      
CONECT   35   27    2   36                                            
CONECT   36   35                                                      
CONECT   37   30   38   39                                            
CONECT   38   37                                                      
CONECT   39   37                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D01XRW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429  -0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.429  -1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.715  -1.856   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.000  -0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.715  -0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.715   0.619   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.825  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.238  -1.333   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.858  -0.619   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.000   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.715   0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.429   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.143   0.619   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       2.858   1.031   0.000  1.00  0.00           O  
HETATM   17 CL   UNL     1       0.715  -0.206   0.000  1.00  0.00          Cl  
HETATM   18  O   UNL     1       0.000   1.856   0.000  1.00  0.00           O  
HETATM   19 CL   UNL     1       1.429   1.856   0.000  1.00  0.00          Cl  
HETATM   20  O   UNL     1       2.143  -0.206   0.000  1.00  0.00           O  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1    7                                            
CONECT    7    6   12                                                 
CONECT    8    5    9                                                 
CONECT    9    8                                                      
CONECT   10    1   11                                                 
CONECT   11   10                                                      
CONECT   12    7   13   18                                            
CONECT   13   12   14   17                                            
CONECT   14   13   15   19                                            
CONECT   15   14   16   20                                            
CONECT   16   15                                                      
CONECT   17   13                                                      
CONECT   18   12                                                      
CONECT   19   14                                                      
CONECT   20   15                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D01XTB
  -OEChem-09301911122D

 45 47  0     1  0  0  0  0  0999 V2000
    7.7331   -2.6615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.6615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8158    0.5409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6466   -1.0683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.6615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.6615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2225    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2170    1.5590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6347    2.2635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6238    2.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0414    3.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0360    3.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8376    0.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3158   -0.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.1615    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0010   -0.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6059    1.3896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1738    0.9405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8186    1.4090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1207    2.6102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2040    1.8175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1378    2.1258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0544    2.9185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0847    3.7955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4399    3.3270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5932    3.5533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8651    3.8775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3769    0.7478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9324   -0.3899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.4715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996   -0.1866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025   -0.1866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.0415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -2.4715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.2815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.2815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 42  1  0  0  0  0
  2 18  2  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  3 15  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  2  0  0  0  0
  5 21  1  0  0  0  0
  5 23  2  0  0  0  0
  6 23  1  0  0  0  0
  6 44  1  0  0  0  0
  6 45  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 12  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  2  0  0  0  0
 13 35  1  0  0  0  0
 14 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 37  1  0  0  0  0
 17 19  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
M  END

$$$$
D01XVK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.499   1.927   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.499   1.102   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.785   0.689   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.070   1.102   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.070   1.927   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.785   2.339   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.356   0.689   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.269  -0.131   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -1.462  -0.303   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.050   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.602   1.025   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.883  -0.683   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.667  -0.428   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.280  -0.980   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.109  -1.787   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.324  -2.042   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.711  -1.490   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -4.722  -2.339   0.000  1.00  0.00          Cl  
HETATM   19  C   UNL     1      -0.230   0.498   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.255  -0.169   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1       0.106   1.252   0.000  1.00  0.00           N  
HETATM   22  S   UNL     1       0.931   1.252   0.000  1.00  0.00           S  
HETATM   23  C   UNL     1       1.756   1.252   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       0.931   2.077   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1       0.931   0.427   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       2.168   0.537   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.994   0.537   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.406   1.252   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.994   1.966   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.168   1.966   0.000  1.00  0.00           C  
HETATM   31 CL   UNL     1       4.231   1.252   0.000  1.00  0.00          Cl  
HETATM   32  C   UNL     1       0.668  -0.884   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.493  -0.884   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.905  -1.598   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.730  -1.598   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1       1.493  -2.313   0.000  1.00  0.00           O  
HETATM   37  O   UNL     1       3.143  -2.313   0.000  1.00  0.00           O  
HETATM   38  O   UNL     1       3.293  -1.034   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1       4.722  -1.034   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       4.007  -1.447   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    8   11    4                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   19                                            
CONECT   11   10    7                                                 
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15                                                      
CONECT   19   10   20   21                                            
CONECT   20   19   32                                                 
CONECT   21   19   22                                                 
CONECT   22   21   23   24   25                                       
CONECT   23   22   26   30                                            
CONECT   24   22                                                      
CONECT   25   22                                                      
CONECT   26   23   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   23                                                 
CONECT   31   28                                                      
CONECT   32   20   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   36                                            
CONECT   35   34   37   38                                            
CONECT   36   34                                                      
CONECT   37   35                                                      
CONECT   38   35   40                                                 
CONECT   39   40                                                      
CONECT   40   38   39                                                 
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D01XZT
  -OEChem-09301911222D

 35 36  0     0  0  0  0  0  0999 V2000
    2.5369   -0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    5.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    2.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    3.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890    5.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490    5.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -2.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244   -3.2373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230   -3.9276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -5.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 34  1  0  0  0  0
  2 18  2  0  0  0  0
  3 21  1  0  0  0  0
  3 35  1  0  0  0  0
  4 21  2  0  0  0  0
  5 13  1  0  0  0  0
  5 15  2  0  0  0  0
  6 18  1  0  0  0  0
  6 20  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9 14  1  0  0  0  0
  9 22  1  0  0  0  0
 10 16  1  0  0  0  0
 10 23  1  0  0  0  0
 11 17  2  0  0  0  0
 11 24  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 19 28  1  0  0  0  0
 19 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END

$$$$
D01YHY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.466   1.635   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.380   0.818   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.629   0.483   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.036   0.967   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.050   1.784   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.801   2.119   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.840   0.795   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.251   1.508   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.701   2.119   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.323   0.130   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.989  -0.621   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.472  -1.286   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.290  -1.200   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.624  -0.449   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.141   0.216   0.000  1.00  0.00           C  
HETATM   16  F   UNL     1       2.475   0.967   0.000  1.00  0.00           F  
HETATM   17  O   UNL     1       1.138  -2.037   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1      -2.045   0.334   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.959  -0.483   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.624  -0.967   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.538  -1.784   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.787  -2.119   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.122  -1.635   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    7   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10   16                                            
CONECT   16   15                                                      
CONECT   17   12   23                                                 
CONECT   18    2   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   17                                                 
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D01ZCC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.716  -0.206   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.001   0.206   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.287  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.572   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858  -0.206   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.143   0.206   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.429  -0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.715   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.000  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.715   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.429  -0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.143   0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.858  -0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.572   0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.287  -0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       5.001   0.206   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       5.716  -0.206   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -5.001   1.031   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.429  -1.031   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1       5.001   1.031   0.000  1.00  0.00           O  
CONECT    1    2                                                      
CONECT    2    1    3   18                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    8   19                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16                                                      
CONECT   18    2                                                      
CONECT   19    7                                                      
CONECT   20   16                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D02AAR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.803   1.913   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.803   1.088   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.088   0.675   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.374   1.088   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.374   1.913   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.088   2.325   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.088  -0.150   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.756  -0.635   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.501  -1.419   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.676  -1.419   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.421  -0.635   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.913  -2.134   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.501  -2.848   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.676  -2.848   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.263  -2.134   0.000  1.00  0.00           C  
HETATM   16  F   UNL     1      -2.913  -3.563   0.000  1.00  0.00           F  
HETATM   17  F   UNL     1      -1.263  -3.563   0.000  1.00  0.00           F  
HETATM   18  O   UNL     1      -2.088   3.150   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.803   3.563   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.659   2.325   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.055   1.913   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       0.770   2.325   0.000  1.00  0.00           N  
HETATM   23  S   UNL     1       0.055   1.088   0.000  1.00  0.00           S  
HETATM   24  C   UNL     1       1.484   1.913   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.484   1.088   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.199   0.675   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.913   1.088   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.913   1.913   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.199   2.325   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.199  -0.150   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       2.913  -0.562   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       1.484  -0.562   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   20                                            
CONECT    6    5    1   18                                            
CONECT    7    3    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11   15                                            
CONECT   11   10    7                                                 
CONECT   12    9   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   17                                            
CONECT   15   14   10                                                 
CONECT   16   13                                                      
CONECT   17   14                                                      
CONECT   18    6   19                                                 
CONECT   19   18                                                      
CONECT   20    5   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   24                                                 
CONECT   23   21                                                      
CONECT   24   22   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   26   31   32                                            
CONECT   31   30                                                      
CONECT   32   30                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D02BGU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.372   1.425   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.372   0.600   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.086   0.187   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.801   0.600   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.801   1.425   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       1.086   1.837   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.413   1.679   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.898   1.012   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.413   0.345   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       2.515   0.187   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       3.230   0.600   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.983   0.264   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       4.535   0.877   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.123   1.591   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.316   1.420   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       5.361   0.877   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       5.773   1.591   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       5.361   2.306   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.535   2.306   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.723   1.012   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.936   1.809   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.306   0.429   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.131   0.429   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.543  -0.286   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.369  -0.286   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.781  -1.000   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -5.601  -1.087   0.000  1.00  0.00           N  
HETATM   28  N   UNL     1      -5.773  -1.893   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1      -5.059  -2.306   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.445  -1.754   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9   20                                            
CONECT    9    8    2                                                 
CONECT   10    4   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   19                                            
CONECT   15   14   11                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20    8   21   22                                            
CONECT   21   20                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   26                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D02CAU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.271   1.876   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.554   1.876   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.039   1.208   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.824   1.463   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.824   2.288   0.000  1.00  0.00           N  
HETATM    6  N   UNL     1       1.039   2.543   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       2.491   0.978   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.784   0.424   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.023   0.252   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.278  -0.532   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.274  -1.146   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.081  -0.974   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.336  -0.189   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       0.019  -1.930   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       0.572  -2.543   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       3.245   1.314   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       3.912   0.829   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.854   2.459   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.437   1.876   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.854   1.292   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.262   1.876   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.675   1.161   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.500   1.161   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.912   0.447   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.500  -0.268   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.675  -0.268   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.262   0.447   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.437   0.447   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.262  -0.982   0.000  1.00  0.00           C  
CONECT    1    2   18   20                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    2                                                 
CONECT    7    4   16                                                 
CONECT    8    3    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15                                                 
CONECT   15   14                                                      
CONECT   16    7   17                                                 
CONECT   17   16                                                      
CONECT   18    1   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19    1                                                 
CONECT   21   19   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   22   28                                            
CONECT   28   27                                                      
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D02CCF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.622   0.084   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.797   0.080   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.385   0.794   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.441   0.794   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.696   1.579   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.028   2.064   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.639   1.579   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.853   0.080   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.678   0.080   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.091  -0.635   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.091   0.794   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1      -2.106   0.752   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.891   0.498   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.891  -0.327   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.106  -0.583   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.606   0.910   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.320   0.498   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.320  -0.327   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.606  -0.740   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.678  -1.349   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.091  -2.064   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.916  -2.064   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.328  -1.349   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.916  -0.635   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       3.328   0.080   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1       4.149   0.166   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       4.320   0.973   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.606   1.385   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       2.993   0.833   0.000  1.00  0.00           N  
CONECT    1    2   12   15                                            
CONECT    2    1    3                                                 
CONECT    3    4    7    2                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    3                                                 
CONECT    8    9    4                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   20   24                                            
CONECT   11    9                                                      
CONECT   12    1   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   19                                            
CONECT   15   14    1                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   10   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   10   25                                            
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   25                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D02CEY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.418  -1.276   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.418  -2.101   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.703  -2.513   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.989  -2.101   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.989  -1.276   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.703  -0.863   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.274  -2.513   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.560  -2.101   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.560  -1.276   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.274  -0.863   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.155  -0.863   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.155  -0.038   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.560   0.374   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.274  -0.038   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.939  -1.118   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.424  -0.451   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.939   0.217   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.249  -0.451   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.132  -2.513   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.989  -0.451   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.155   0.787   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.194   1.001   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       0.642   1.615   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       1.895   1.087   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       2.258   1.828   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.081   1.884   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       1.798   2.513   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       2.734  -1.118   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.519  -0.863   0.000  1.00  0.00           C  
HETATM   30  S   UNL     1       3.519  -0.038   0.000  1.00  0.00           S  
HETATM   31  C   UNL     1       2.734   0.217   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.563  -1.925   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.176  -2.477   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.960  -2.222   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.132  -1.415   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   19                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10   20                                       
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12   15                                            
CONECT   12   11   13   17   21                                       
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   12   22                                            
CONECT   18   16   28   31                                            
CONECT   19    2                                                      
CONECT   20    5                                                      
CONECT   21   12                                                      
CONECT   22   17   23   24                                            
CONECT   23   22                                                      
CONECT   24   25   22                                                 
CONECT   25   24   26   27                                            
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   18   29   32                                            
CONECT   29   28   30   35                                            
CONECT   30   29   31                                                 
CONECT   31   30   18                                                 
CONECT   32   28   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   29                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END

$$$$

$$$$

$$$$
D02CJU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.986   0.790   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.574   0.075   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.749   0.075   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.336   0.790   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.749   1.504   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.574   1.504   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.336  -0.639   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.749  -1.353   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.511  -0.639   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.336  -2.068   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.749  -2.782   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1      -0.511  -2.068   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.099  -2.782   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.564  -3.464   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.320  -4.252   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.448  -4.554   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.162  -4.141   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.285  -3.325   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       0.724  -2.721   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.900  -4.510   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.479  -3.923   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.099  -3.190   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.448  -5.379   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.162  -5.791   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.877  -5.379   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.468  -2.453   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       1.025  -1.953   0.000  1.00  0.00           O  
HETATM   28  N   UNL     1       2.013  -1.764   0.000  1.00  0.00           N  
HETATM   29  O   UNL     1       3.291  -2.403   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       2.382  -1.026   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.382  -0.201   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.185  -1.216   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.097   0.211   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.097   1.036   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1       2.382   1.449   0.000  1.00  0.00           O  
HETATM   36  N   UNL     1       3.811   1.449   0.000  1.00  0.00           N  
HETATM   37  C   UNL     1      -2.986   2.219   0.000  1.00  0.00           C  
HETATM   38  F   UNL     1      -3.811   2.219   0.000  1.00  0.00           F  
HETATM   39  P   UNL     1      -2.574   2.933   0.000  1.00  0.00           P  
HETATM   40  F   UNL     1      -3.399   1.504   0.000  1.00  0.00           F  
HETATM   41  O   UNL     1      -1.749   2.933   0.000  1.00  0.00           O  
HETATM   42  O   UNL     1      -3.157   3.517   0.000  1.00  0.00           O  
HETATM   43  O   UNL     1      -2.161   3.648   0.000  1.00  0.00           O  
HETATM   44  C   UNL     1      -1.336   3.648   0.000  1.00  0.00           C  
HETATM   45  O   UNL     1      -0.924   4.362   0.000  1.00  0.00           O  
HETATM   46  C   UNL     1      -0.099   4.362   0.000  1.00  0.00           C  
HETATM   47  O   UNL     1       0.314   3.648   0.000  1.00  0.00           O  
HETATM   48  C   UNL     1       0.314   5.077   0.000  1.00  0.00           C  
HETATM   49  C   UNL     1       0.726   5.791   0.000  1.00  0.00           C  
HETATM   50  C   UNL     1       1.139   5.077   0.000  1.00  0.00           C  
HETATM   51  C   UNL     1      -0.099   5.791   0.000  1.00  0.00           C  
HETATM   52  C   UNL     1      -1.336   2.219   0.000  1.00  0.00           C  
HETATM   53  O   UNL     1      -0.511   2.219   0.000  1.00  0.00           O  
HETATM   54  C   UNL     1      -0.099   1.504   0.000  1.00  0.00           C  
HETATM   55  C   UNL     1       0.726   1.504   0.000  1.00  0.00           C  
HETATM   56  C   UNL     1       1.139   0.790   0.000  1.00  0.00           C  
HETATM   57  C   UNL     1       1.139   2.219   0.000  1.00  0.00           C  
HETATM   58  C   UNL     1       1.551   1.504   0.000  1.00  0.00           C  
HETATM   59  O   UNL     1      -0.511   0.790   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   37                                            
CONECT    7    3    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14   19                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   23                                            
CONECT   17   16   18   20                                            
CONECT   18   17   19   22                                            
CONECT   19   18   13   27                                            
CONECT   20   17   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   18   26                                            
CONECT   23   16   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   22   28   29                                            
CONECT   27   19                                                      
CONECT   28   26   30                                                 
CONECT   29   26                                                      
CONECT   30   28   31   32                                            
CONECT   31   30   33                                                 
CONECT   32   30                                                      
CONECT   33   31   34                                                 
CONECT   34   33   35   36                                            
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37    6   38   39   40                                       
CONECT   38   37                                                      
CONECT   39   37   41   42   43                                       
CONECT   40   37                                                      
CONECT   41   39   52                                                 
CONECT   42   39                                                      
CONECT   43   39   44                                                 
CONECT   44   43   45                                                 
CONECT   45   44   46                                                 
CONECT   46   45   47   48                                            
CONECT   47   46                                                      
CONECT   48   46   49   50   51                                       
CONECT   49   48                                                      
CONECT   50   48                                                      
CONECT   51   48                                                      
CONECT   52   41   53                                                 
CONECT   53   52   54                                                 
CONECT   54   53   55   59                                            
CONECT   55   54   56   57   58                                       
CONECT   56   55                                                      
CONECT   57   55                                                      
CONECT   58   55                                                      
CONECT   59   54                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
M  END

$$$$
D02CQG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNK A   0      -5.716  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNK A   0      -5.716  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNK A   0      -5.001  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNK A   0      -4.287  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNK A   0      -4.287  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNK A   0      -5.001   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNK A   0      -3.572   0.206   0.000  1.00  0.00           C  
HETATM    8  O   UNK A   0      -2.858  -0.206   0.000  1.00  0.00           O  
HETATM    9  C   UNK A   0      -2.143   0.206   0.000  1.00  0.00           C  
ATOM     10  N   LEU A   1      -1.429  -0.206   0.000  1.00  0.00           N  
ATOM     11  CA  LEU A   1      -0.715   0.206   0.000  1.00  0.00           C  
ATOM     12  C   LEU A   1       0.000  -0.206   0.000  1.00  0.00           C  
HETATM   13  N   UNK A   2       0.715   0.206   0.000  1.00  0.00           N  
HETATM   14  C   UNK A   2       1.429  -0.206   0.000  1.00  0.00           C  
HETATM   15  O   UNK A   0      -2.143   1.031   0.000  1.00  0.00           O  
ATOM     16  O   LEU A   1       0.000  -1.031   0.000  1.00  0.00           O  
ATOM     17  CB  LEU A   1      -0.715   1.031   0.000  1.00  0.00           C  
ATOM     18  CG  LEU A   1       0.000   1.444   0.000  1.00  0.00           C  
ATOM     19  CD1 LEU A   1       0.715   1.031   0.000  1.00  0.00           C  
ATOM     20  CD2 LEU A   1       0.000   2.269   0.000  1.00  0.00           C  
HETATM   21  C   UNK A   2       2.143   0.206   0.000  1.00  0.00           C  
ATOM     22  N   LEU A   3       2.858  -0.206   0.000  1.00  0.00           N  
ATOM     23  CA  LEU A   3       3.572   0.206   0.000  1.00  0.00           C  
ATOM     24  CB  LEU A   3       4.287  -0.206   0.000  1.00  0.00           C  
HETATM   25  O   UNK A   2       2.143   1.031   0.000  1.00  0.00           O  
HETATM   26  C   UNK A   2       1.429  -1.031   0.000  1.00  0.00           C  
HETATM   27  C   UNK A   2       2.143  -1.444   0.000  1.00  0.00           C  
HETATM   28  O   UNK A   2       2.858  -1.031   0.000  1.00  0.00           O  
HETATM   29  O   UNK A   2       2.143  -2.269   0.000  1.00  0.00           O  
HETATM   30  C   UNK A   2       3.572  -1.444   0.000  1.00  0.00           C  
HETATM   31  C   UNK A   2       4.287  -1.856   0.000  1.00  0.00           C  
HETATM   32  C   UNK A   2       3.786  -2.241   0.000  1.00  0.00           C  
HETATM   33  C   UNK A   2       4.369  -1.230   0.000  1.00  0.00           C  
ATOM     34  CG  LEU A   3       5.001   0.206   0.000  1.00  0.00           C  
ATOM     35  CD1 LEU A   3       5.716  -0.206   0.000  1.00  0.00           C  
ATOM     36  CD2 LEU A   3       5.001   1.031   0.000  1.00  0.00           C  
ATOM     37  C   LEU A   3       3.572   1.031   0.000  1.00  0.00           C  
ATOM     38  O   LEU A   3       4.156   1.615   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   15                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   17                                            
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   21   26                                            
CONECT   15    9                                                      
CONECT   16   12                                                      
CONECT   17   11   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   14   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   37                                            
CONECT   24   23   34                                                 
CONECT   25   21                                                      
CONECT   26   14   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   30                                                 
CONECT   29   27                                                      
CONECT   30   28   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
CONECT   34   24   35   36                                            
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   23   38                                                 
CONECT   38   37                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D02CTG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.140  -0.435   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.140  -1.260   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.574  -1.672   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.289  -1.260   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.289  -0.435   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.574  -0.022   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.855  -1.672   0.000  1.00  0.00           N  
HETATM    8  F   UNL     1       0.574  -2.497   0.000  1.00  0.00           F  
HETATM    9  C   UNL     1      -1.569  -1.260   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.284  -1.672   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -1.569  -0.435   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.998  -1.260   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.998  -0.435   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.712  -0.022   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.427  -0.435   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.427  -1.260   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.712  -1.672   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -5.141  -0.022   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.003  -0.022   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.718  -0.435   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.432  -0.022   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.432   0.803   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.718   1.215   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.003   0.803   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.147   1.215   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.861   0.803   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       4.147   2.040   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       4.947  -0.018   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.754  -0.189   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       6.167   0.525   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.615   1.138   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.786   1.945   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       5.173   2.497   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1       6.571   2.200   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1      -5.857  -0.435   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1      -5.444  -1.149   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -6.571  -0.847   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1      -6.269   0.280   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   19                                            
CONECT    6    5    1                                                 
CONECT    7    2    9                                                 
CONECT    8    3                                                      
CONECT    9    7   10   11                                            
CONECT   10    9   12                                                 
CONECT   11    9                                                      
CONECT   12   10   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   35                                                 
CONECT   19    5   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22   26   27                                            
CONECT   26   25   28   31                                            
CONECT   27   25                                                      
CONECT   28   26   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26   32                                            
CONECT   32   31   33   34                                            
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   18   36   37   38                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D02CXZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.000   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.825   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.825   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.000  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.715  -1.238   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.715  -2.062   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.000  -2.475   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.715  -2.062   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.715  -1.238   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.238   0.715   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.062   0.715   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.475   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.062  -0.715   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.238  -0.715   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.715   1.238   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.715   2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.000   2.475   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.715   2.062   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.715   1.238   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.238  -0.715   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.062  -0.715   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.475   0.000   0.000  1.00  0.00           N  
CONECT    1    2    3    4    5                                       
CONECT    2    1   21                                                 
CONECT    3    1   11   15                                            
CONECT    4    1   16   20                                            
CONECT    5    1    6   10                                            
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    3   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    3                                                 
CONECT   16    4   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19    4                                                 
CONECT   21    2   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D02DBH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       1.298   0.298   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       1.961   0.788   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.700   1.571   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.875   1.564   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.627   0.777   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.770   0.624   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       3.317   1.241   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       3.055   2.024   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.247   2.189   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.318   2.173   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.487   1.995   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.736   1.208   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.179   0.599   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.305  -0.527   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.594  -0.945   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.601  -1.770   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.110  -2.189   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1      -1.428   0.826   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.812   1.333   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.030  -0.159   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1       2.247  -0.420   0.000  1.00  0.00           F  
HETATM   22  F   UNL     1       2.768   0.624   0.000  1.00  0.00           F  
HETATM   23  F   UNL     1       3.812   0.103   0.000  1.00  0.00           F  
CONECT    1    2    5   14                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5   10                                            
CONECT    5    4    1   13                                            
CONECT    6    2    7   20                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    3                                                 
CONECT   10    4   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   18                                            
CONECT   13   12    5                                                 
CONECT   14    1   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16                                                      
CONECT   18   19   12                                                 
CONECT   19   18                                                      
CONECT   20    6   21   22   23                                       
CONECT   21   20                                                      
CONECT   22   20                                                      
CONECT   23   20                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D02DJP
  -OEChem-09301911122D

 60 64  0     0  0  0  0  0  0999 V2000
    7.5673   -4.0687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    4.6068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209   -4.6068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103   -3.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -2.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -1.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318   -3.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -2.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994   -4.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101   -5.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    2.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    1.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    3.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    2.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    3.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1886   -5.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    4.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    4.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101    5.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5458    4.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1886    5.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8564    5.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4030   -1.2938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2169   -3.7842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9385   -2.0116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7742   -2.7916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5812   -1.8741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880   -1.3418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0179   -3.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6112   -4.0697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6607   -3.3999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8250   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5069   -5.0683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7960   -6.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7144    2.3717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2177    3.9115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8848    3.0398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3812   -6.5591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6027   -5.5083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3747    3.4794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7960    6.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9598    3.8135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3812    6.5591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4631    5.3533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2 27  1  0  0  0  0
  2 29  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 15  1  0  0  0  0
  4 10  1  0  0  0  0
  4 18  1  0  0  0  0
  4 45  1  0  0  0  0
  5 17  2  0  0  0  0
  6 15  2  0  0  0  0
  6 21  1  0  0  0  0
  7 19  1  0  0  0  0
  7 21  2  0  0  0  0
  8 19  1  0  0  0  0
  8 50  1  0  0  0  0
  8 51  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 35  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 36  1  0  0  0  0
 11 13  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 14  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 46  1  0  0  0  0
 22 28  2  0  0  0  0
 22 47  1  0  0  0  0
 23 25  1  0  0  0  0
 23 48  1  0  0  0  0
 24 26  2  0  0  0  0
 24 49  1  0  0  0  0
 25 27  2  0  0  0  0
 25 52  1  0  0  0  0
 26 27  1  0  0  0  0
 26 53  1  0  0  0  0
 28 54  1  0  0  0  0
 28 55  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 56  1  0  0  0  0
 31 33  2  0  0  0  0
 31 57  1  0  0  0  0
 32 34  2  0  0  0  0
 32 58  1  0  0  0  0
 33 34  1  0  0  0  0
 33 59  1  0  0  0  0
 34 60  1  0  0  0  0
M  END

$$$$
D02DLG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.325   1.031   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.325   0.206   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.610  -0.206   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.104   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.104   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.610   1.444   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.889  -0.049   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.374   0.619   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.889   1.286   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       2.199   0.619   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.610   2.269   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -2.039  -0.206   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.039   1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.610  -1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.754   1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.468   1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.325  -1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.325  -2.269   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.684  -0.049   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.468   0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.468   1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.684   1.286   0.000  1.00  0.00           C  
CONECT    1    2    6   13                                            
CONECT    2    1    3   12                                            
CONECT    3    2    4   14                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   19   22                                            
CONECT   11    6                                                      
CONECT   12    2                                                      
CONECT   13    1   15                                                 
CONECT   14    3   17                                                 
CONECT   15   13   16                                                 
CONECT   16   15                                                      
CONECT   17   14   18                                                 
CONECT   18   17                                                      
CONECT   19   10   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   10                                                 
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D02DLL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.001   0.151   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.001  -0.674   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.287  -1.087   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.572  -0.674   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.572   0.151   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.287   0.564   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.858  -1.087   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.143  -0.674   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.143   0.151   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.858   0.564   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.870   1.147   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.874   1.278   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.699  -1.801   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.874  -1.801   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.429   0.564   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.715   0.151   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.000   0.564   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.000   1.389   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.715   1.801   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.429   1.389   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.715   0.151   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       0.715  -0.674   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.429  -1.087   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.143  -0.674   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       2.143   0.151   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.429   0.564   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.858  -1.087   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.572  -0.674   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.287  -1.087   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       5.001  -0.674   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   13   14                                       
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   11   12                                       
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   15                                            
CONECT   10    9    5                                                 
CONECT   11    6                                                      
CONECT   12    6                                                      
CONECT   13    3                                                      
CONECT   14    3                                                      
CONECT   15    9   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   17   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D02DXA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.066   1.219   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.791   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.494   1.256   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.473   2.080   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.748   2.474   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.045   2.044   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1       0.320   2.438   0.000  1.00  0.00          Cl  
HETATM    8  C   UNL     1       3.219   0.862   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       3.923   1.293   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       4.648   0.899   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       4.669   0.074   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       5.351   1.330   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       6.076   0.936   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       5.330   2.154   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.362   0.788   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.362   1.182   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1       0.384  -0.037   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.320  -0.468   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.045  -0.074   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.748  -0.504   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.727  -1.329   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.002  -1.723   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.298  -1.292   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       6.055   1.760   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.473  -0.111   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.177  -0.541   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.155  -1.366   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.431  -1.760   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.494   0.714   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.902  -0.147   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.923   0.677   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.648   1.071   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.351   0.640   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.330  -0.184   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.605  -0.578   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.076   1.034   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.843  -2.474   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.018  -2.474   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.565   1.437   0.000  1.00  0.00           C  
HETATM   40  F   UNL     1       1.812   0.000   0.000  1.00  0.00           F  
CONECT    1    2    6   15                                            
CONECT    2    1    3   40                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    3    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   13   14   24                                       
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15    1   16   17                                            
CONECT   16   15                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22   28                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   12                                                      
CONECT   25   20   26   29                                            
CONECT   26   25   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   21   37   38                                       
CONECT   29   25                                                      
CONECT   30   26   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   36   39                                       
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
CONECT   36   33                                                      
CONECT   37   28                                                      
CONECT   38   28                                                      
CONECT   39   33                                                      
CONECT   40    2                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D02EGY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.418  -0.149   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.002  -0.732   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.627  -1.467   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.812  -1.338   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.683  -0.523   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.825  -0.689   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.275  -1.381   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.900  -2.116   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.076  -2.159   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.171  -1.857   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.401  -1.562   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.272  -0.747   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.913  -0.228   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.349  -2.808   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.784   0.587   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.014   0.883   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       0.116   1.698   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.886   1.993   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.527   1.474   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1       1.015   2.808   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.297   1.770   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.938   1.250   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.809   0.436   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.450  -0.084   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.220   0.212   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.349   1.027   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.708   1.546   0.000  1.00  0.00           C  
HETATM   28 CL   UNL     1       2.039   0.140   0.000  1.00  0.00          Cl  
HETATM   29 CL   UNL     1       3.837   2.361   0.000  1.00  0.00          Cl  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5   10                                            
CONECT    5    4    1   13                                            
CONECT    6    2    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   14                                            
CONECT    9    8    3                                                 
CONECT   10    4   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    5   15                                            
CONECT   14    8                                                      
CONECT   15   13   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   21                                                 
CONECT   20   18                                                      
CONECT   21   19   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22   29                                            
CONECT   28   23                                                      
CONECT   29   27                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D02EHR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -1.872   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -2.697   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.786  -3.110   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.072  -2.697   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.072  -1.872   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.786  -1.460   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.357  -3.110   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.357  -2.697   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.072  -3.110   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.786  -2.697   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.786  -1.872   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.072  -1.460   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.357  -1.872   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.786  -0.635   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.072  -0.222   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.072   0.603   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.786   1.015   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.501   0.603   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.501  -0.222   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.786   1.840   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.119   2.325   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.374   3.110   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.199   3.110   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.454   2.325   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       1.072  -0.635   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       1.786  -0.222   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       2.501  -0.635   0.000  1.00  0.00           O  
HETATM   28  N   UNL     1       1.786   0.603   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       2.501   1.015   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.072   1.015   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.358   1.017   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       0.467   1.017   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   14                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   25                                            
CONECT   13   12    8                                                 
CONECT   14    6   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   31                                            
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   20                                                 
CONECT   25   12   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26                                                      
CONECT   28   26   29   30                                            
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   16   32                                                 
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D02EKO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.513  -0.640   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.227  -0.227   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.798  -0.227   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.798   0.598   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.513   1.010   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.227   0.598   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.084  -0.640   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.369  -0.227   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.369   0.598   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1       0.345  -0.640   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.060  -0.227   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.774  -0.640   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.774  -1.465   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.488  -1.877   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.203  -1.465   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.203  -0.640   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.488  -0.227   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.488   0.598   0.000  1.00  0.00           N  
HETATM   19 CL   UNL     1       3.917  -1.877   0.000  1.00  0.00          Cl  
HETATM   20  N   UNL     1      -3.840  -0.779   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.505  -1.533   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.684  -1.447   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1      -3.917  -2.248   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       3.203   1.010   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.203   1.835   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.488   2.248   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.774   1.835   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.774   1.010   0.000  1.00  0.00           C  
CONECT    1    2    3   22                                            
CONECT    2    1    6   20                                            
CONECT    3    1    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    2                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   18                                            
CONECT   18   17   24   28                                            
CONECT   19   15                                                      
CONECT   20    2   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21    1                                                 
CONECT   23   21                                                      
CONECT   24   18   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   18                                                 
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D02EME
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.696  -0.205   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.696  -1.028   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.984  -1.439   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.272  -1.028   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.272  -0.205   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.984   0.205   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.560  -1.439   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.848  -1.028   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.848  -0.205   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.560   0.205   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.712   0.205   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.000  -0.205   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.712   0.205   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       1.424  -0.205   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       2.136   0.205   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.848  -0.205   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.560   0.205   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.560   1.028   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.848   1.439   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.136   1.028   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       4.272  -0.205   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       4.984   0.205   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.984   1.028   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.272   1.439   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       5.696  -0.205   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.424  -0.205   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.136   0.205   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   27                                            
CONECT   10    9    5                                                 
CONECT   11   12   26                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19   24                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   17   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
CONECT   25   22                                                      
CONECT   26   11   27                                                 
CONECT   27   26    9                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D02ETU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287   0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858   0.000   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858   0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.572   1.238   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.143  -0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.429   0.000   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.143   1.238   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.715  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.000   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.000   0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.715   1.238   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.886   2.045   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1      -1.706   2.131   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1      -2.143  -1.238   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1      -0.715  -1.238   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       0.000  -1.650   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.000  -2.475   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.715  -2.888   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.429  -2.475   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.429  -1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.715  -1.238   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.143  -2.888   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.858  -2.475   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1       2.143  -3.712   0.000  1.00  0.00           O  
HETATM   28  N   UNL     1       0.715   1.238   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       1.429   0.825   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.143   1.238   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       2.143   2.062   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       1.429   2.475   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       0.715   2.062   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.858   2.475   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.572   2.062   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.287   2.475   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.287   3.300   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       3.572   3.712   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       2.858   3.300   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   17                                            
CONECT    8    7    9   11                                            
CONECT    9    8   10   14                                            
CONECT   10    9    5   16                                            
CONECT   11    8   12   18                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   28                                            
CONECT   14   13    9   15                                            
CONECT   15   14   16                                                 
CONECT   16   15   10                                                 
CONECT   17    7                                                      
CONECT   18   11   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22   26   27                                            
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   13   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34   31   35   39                                            
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   34                                                 
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END

$$$$

$$$$

$$$$
D02FAA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.916  -0.261   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.916  -1.083   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.204  -1.494   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.492  -1.083   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.492  -0.261   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.204   0.150   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.780  -1.494   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.068  -1.083   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.068  -0.261   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.780   0.150   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.356   0.150   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.356  -0.261   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.068   0.150   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       0.356  -1.083   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.780  -0.261   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.492   0.150   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.492   0.973   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.780   1.384   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.068   0.973   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.204   1.384   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       3.916   0.973   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       3.204   2.206   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.615   0.863   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.793  -2.206   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.615  -2.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.793   0.863   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   24   25                                       
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   23   26                                       
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   15   19                                            
CONECT   14   12                                                      
CONECT   15   13   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   13                                                 
CONECT   20   17   21   22                                            
CONECT   21   20                                                      
CONECT   22   20                                                      
CONECT   23    6                                                      
CONECT   24    3                                                      
CONECT   25    3                                                      
CONECT   26    6                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D02FRR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.148   0.240   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.148  -0.585   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.433  -0.997   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.719  -0.585   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.719   0.240   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.433   0.653   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.004   0.653   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.710   0.240   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -0.004   1.478   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.425   0.653   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.139   0.240   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.853   0.653   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.853   1.478   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.139   1.890   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.425   1.478   0.000  1.00  0.00           C  
HETATM   16  F   UNL     1       3.568   1.890   0.000  1.00  0.00           F  
HETATM   17  F   UNL     1       3.568   0.240   0.000  1.00  0.00           F  
HETATM   18  N   UNL     1      -2.761  -1.137   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1      -2.425  -1.890   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.605  -1.804   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.568  -0.965   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4   20                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13                                                      
CONECT   17   12                                                      
CONECT   18    2   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19    3                                                 
CONECT   21   18                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D02FWA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.715  -1.031   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.000  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.000   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.715   0.619   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.715   1.444   0.000  1.00  0.00           N  
HETATM   12  S   UNL     1       0.000   1.856   0.000  1.00  0.00           S  
HETATM   13  O   UNL     1      -0.412   2.571   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1       0.412   1.142   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       0.715   2.269   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.429   1.856   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.143   2.269   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.143   3.094   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.429   3.506   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.715   3.094   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.429   1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.858   3.506   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.715  -1.856   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       0.715  -1.031   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.715  -1.856   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.429  -0.619   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       1.429   0.206   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1       0.000  -2.269   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1       1.429  -2.269   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       1.429  -3.094   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.143  -3.506   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.715  -3.506   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.142  -1.031   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1       1.730  -1.746   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1       1.427  -0.619   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1       2.554  -0.317   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   23                                            
CONECT    8    7    9   24                                            
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   14   15                                       
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15   12   16   20                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   16                                                      
CONECT   22   18                                                      
CONECT   23    7                                                      
CONECT   24    8   25   26                                            
CONECT   25   24   28   29                                            
CONECT   26   24   27   33                                            
CONECT   27   26                                                      
CONECT   28   25                                                      
CONECT   29   25   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   26   34   35   36                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D02FWO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.570  -0.608   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.316  -1.390   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.511  -1.561   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.961  -0.950   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.215  -0.168   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.019   0.003   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.139  -0.950   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.115  -0.168   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.550   0.315   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.411  -1.561   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.215  -1.390   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.469  -0.608   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.919   0.003   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.550   1.137   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.162   1.548   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.162   2.370   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1      -1.262   1.548   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.765  -2.001   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.570  -1.830   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       1.511  -2.783   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.553   2.783   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.876   2.783   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9   13                                            
CONECT    9    8    5   14                                            
CONECT   10    7   11                                                 
CONECT   11   10   12   18                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    9   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   21   22                                            
CONECT   17   14                                                      
CONECT   18   11   19   20                                            
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   16                                                      
CONECT   22   16                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D02FWR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.086  -1.348   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.801  -1.760   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       1.515  -1.348   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       1.515  -0.523   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.801  -0.111   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.086  -0.523   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.699  -0.268   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.183  -0.935   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1      -0.699  -1.603   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1      -1.111   0.446   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.008  -0.935   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.421  -0.221   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -2.421  -1.650   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.246  -1.650   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.658  -2.365   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.801   0.715   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.515   1.127   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.229   0.715   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.944   1.127   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.944   1.952   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.229   2.365   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.515   1.952   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.658   2.365   0.000  1.00  0.00           C  
CONECT    1    2    6    9                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   16                                            
CONECT    6    5    1    7                                            
CONECT    7    6    8   10                                            
CONECT    8    7    9   11                                            
CONECT    9    8    1                                                 
CONECT   10    7                                                      
CONECT   11    8   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14                                                      
CONECT   16    5   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   20                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D02FWT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.605   0.546   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.605  -0.279   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.891  -0.691   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.176  -0.279   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.176   0.546   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.891   0.959   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.391  -0.534   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.907   0.134   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.391   0.801   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.178  -1.331   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.761  -1.914   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.558  -1.701   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.142  -2.284   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.928  -3.081   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.131  -3.294   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.548  -2.711   0.000  1.00  0.00           C  
HETATM   17  F   UNL     1      -3.511  -3.664   0.000  1.00  0.00           F  
HETATM   18  C   UNL     1      -0.086   0.220   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.249   0.974   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.235   1.641   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.056   1.555   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.034   1.228   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       1.034   2.053   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       0.249   2.308   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.617   2.637   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.332   2.224   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.118   1.427   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.915   1.641   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.056   2.380   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.770   1.967   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -0.163   3.023   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       1.748   0.816   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       2.891   2.839   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       2.891   3.664   0.000  1.00  0.00           O  
HETATM   35  O   UNL     1       3.605   2.427   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9   18                                            
CONECT    9    8    5   21                                            
CONECT   10    7   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   14                                                      
CONECT   18    8   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21   24                                            
CONECT   21   20    9   29   30                                       
CONECT   22   19   23   32                                            
CONECT   23   22   24   25                                            
CONECT   24   23   20   31                                            
CONECT   25   23   26                                                 
CONECT   26   25   27   28   33                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   21                                                      
CONECT   30   21                                                      
CONECT   31   24                                                      
CONECT   32   22                                                      
CONECT   33   26   34   35                                            
CONECT   34   33                                                      
CONECT   35   33                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D02GCZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.571   0.585   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.571  -0.240   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.144  -0.653   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.858  -0.240   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.858   0.585   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.144   0.997   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.355   0.840   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.840   0.172   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.355  -0.495   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.503  -0.755   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.307  -0.571   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.665   0.172   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.307   0.915   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.503   1.099   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.136   1.890   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.315   1.804   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.665   0.172   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.610   1.624   0.000  1.00  0.00           C  
HETATM   19  H   UNL     1      -0.657   1.405   0.000  1.00  0.00           H  
HETATM   20  H   UNL     1       0.858   1.410   0.000  1.00  0.00           H  
HETATM   21  H   UNL     1       0.858  -1.065   0.000  1.00  0.00           H  
HETATM   22  C   UNL     1       0.144  -1.478   0.000  1.00  0.00           C  
HETATM   23  H   UNL     1      -0.657  -1.061   0.000  1.00  0.00           H  
HETATM   24  C   UNL     1       0.858  -1.890   0.000  1.00  0.00           C  
HETATM   25  H   UNL     1       0.144   0.172   0.000  1.00  0.00           H  
CONECT    1    2    6    7   19                                       
CONECT    2    1    3    9   23                                       
CONECT    3    2    4   22                                            
CONECT    4    3    5   10   21                                       
CONECT    5    4    6   14   20                                       
CONECT    6    5    1   16   25                                       
CONECT    7    1    8   18                                            
CONECT    8    7    9   17                                            
CONECT    9    8    2                                                 
CONECT   10    4   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    5   15                                            
CONECT   15   14   16                                                 
CONECT   16   15    6                                                 
CONECT   17    8                                                      
CONECT   18    7                                                      
CONECT   19    1                                                      
CONECT   20    5                                                      
CONECT   21    4                                                      
CONECT   22    3   24                                                 
CONECT   23    2                                                      
CONECT   24   22                                                      
CONECT   25    6                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D02GEJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.611   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.611  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.896  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.182  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.182   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.896   0.825   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.603  -0.667   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.088   0.000   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.603   0.667   0.000  1.00  0.00           N  
HETATM   10 BR   UNL     1      -0.896   1.650   0.000  1.00  0.00          Br  
HETATM   11 BR   UNL     1      -2.325   0.825   0.000  1.00  0.00          Br  
HETATM   12 BR   UNL     1      -2.325  -0.825   0.000  1.00  0.00          Br  
HETATM   13 BR   UNL     1      -0.896  -1.650   0.000  1.00  0.00          Br  
HETATM   14  N   UNL     1       1.913   0.000   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       2.325  -0.715   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.325   0.715   0.000  1.00  0.00           C  
CONECT    1    2    6   11                                            
CONECT    2    1    3   12                                            
CONECT    3    2    4   13                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   14                                            
CONECT    9    8    5                                                 
CONECT   10    6                                                      
CONECT   11    1                                                      
CONECT   12    2                                                      
CONECT   13    3                                                      
CONECT   14    8   15   16                                            
CONECT   15   14                                                      
CONECT   16   14                                                      
MASTER        0    0    0    0    0    0    0    0   16    0   16    0
END
M  END

$$$$
D02GTU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.430   0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.430  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.716  -0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.001  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.001   0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.716   1.031   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -7.145  -0.619   0.000  1.00  0.00           F  
HETATM    8  C   UNL     1      -4.287   1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.572   0.619   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.287   1.856   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.572  -0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.858  -0.619   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.143  -0.206   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.143   0.619   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.858   1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.429  -0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.715  -0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.000  -0.619   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.000  -1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.715  -1.856   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.429  -1.444   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.429  -0.619   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.715  -0.206   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.143  -1.856   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       2.858  -1.444   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.572  -1.856   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       2.858  -0.619   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       4.287  -1.444   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.001  -1.856   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.716  -1.444   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.716  -0.619   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.001  -0.206   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.287  -0.619   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       6.430  -0.206   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       7.145  -0.619   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9   10                                            
CONECT    9    8   11   15                                            
CONECT   10    8                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14    9                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   28                                                 
CONECT   27   25                                                      
CONECT   28   26   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34   31   35                                                 
CONECT   35   34                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D02HOM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.941   1.896   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.528   1.182   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.703   1.182   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.291   1.896   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.703   2.611   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.528   2.611   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.151   0.568   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.397   0.904   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1      -1.484   1.725   0.000  1.00  0.00           S  
HETATM   10  N   UNL     1      -0.683   0.492   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.683  -0.333   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.031  -0.746   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.746  -0.333   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.746   0.492   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.031   0.904   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.031   1.729   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.460  -0.746   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.175  -0.333   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.889  -0.746   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.889  -1.571   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.604  -1.983   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.318  -1.571   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.318  -0.746   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.604  -0.333   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.103  -1.826   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       5.588  -1.158   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       5.103  -0.491   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       5.358  -2.611   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       3.604   0.492   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       2.175   0.492   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.766   1.896   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1      -5.588   1.896   0.000  1.00  0.00           N  
CONECT    1   31    2    6                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    4                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   10   16                                            
CONECT   16   15                                                      
CONECT   17   13   18                                                 
CONECT   18   17   19   30                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24   27                                            
CONECT   24   23   19   29                                            
CONECT   25   22   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   23                                                 
CONECT   28   25                                                      
CONECT   29   24                                                      
CONECT   30   18                                                      
CONECT   31   32    1                                                 
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D02IBX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.423   1.440   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.423   0.616   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.709   0.203   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.994   0.616   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.994   1.440   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.709   1.853   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.210   0.361   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.725   1.028   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.210   1.695   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -4.138   0.203   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.852   0.616   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.955  -0.424   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.507  -1.037   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.130  -0.424   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.283  -1.139   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.108  -1.139   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.520  -0.424   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.108   0.290   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.283   0.290   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1      -0.130   1.005   0.000  1.00  0.00           F  
HETATM   21  F   UNL     1      -0.130  -1.853   0.000  1.00  0.00           F  
HETATM   22  N   UNL     1       2.345  -0.424   0.000  1.00  0.00           N  
HETATM   23  S   UNL     1       2.758   0.290   0.000  1.00  0.00           S  
HETATM   24  C   UNL     1       3.583   0.290   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       4.068  -0.377   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       4.852  -0.122   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       4.852   0.703   0.000  1.00  0.00           N  
HETATM   28  N   UNL     1       4.068   0.958   0.000  1.00  0.00           N  
HETATM   29  O   UNL     1       1.961   0.504   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       2.758   1.115   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    2   11                                                 
CONECT   11   10                                                      
CONECT   12    7   13   14                                            
CONECT   13   12                                                      
CONECT   14   12   15   19                                            
CONECT   15   14   16   21                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   14   20                                            
CONECT   20   19                                                      
CONECT   21   15                                                      
CONECT   22   17   23                                                 
CONECT   23   22   24   29   30                                       
CONECT   24   23   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   24                                                 
CONECT   29   23                                                      
CONECT   30   23                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END

$$$$

$$$$
D02IET
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.151  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.151  -1.031   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.866  -1.444   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       2.580  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.580  -0.206   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       1.866   0.206   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1       3.365  -1.286   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       3.850  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.365   0.049   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.437   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.437   1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.278   1.444   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.992   1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.992   0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.278  -0.206   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.706  -0.206   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.421   0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.135  -0.206   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.421   1.031   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.850   0.206   0.000  1.00  0.00           C  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    1   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   10                                                 
CONECT   16   14   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   20                                                 
CONECT   19   17                                                      
CONECT   20   18                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D02ILH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.072   2.269   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.072   1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.357   1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.357   1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.357   2.269   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.357   2.681   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.786   2.681   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1      -0.357   3.506   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1       1.072   2.681   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.357   0.206   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       0.357  -0.206   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.072  -0.206   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.357  -1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.357  -1.444   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.357  -2.269   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.357  -2.681   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.072  -2.269   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.072  -1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.072  -2.681   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.786  -2.269   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.072  -3.506   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       1.786  -1.031   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       1.786  -2.681   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   10                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1    8                                            
CONECT    7    1                                                      
CONECT    8    6                                                      
CONECT    9    5                                                      
CONECT   10    3   11   12                                            
CONECT   11   10   13                                                 
CONECT   12   10                                                      
CONECT   13   11   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   23                                            
CONECT   18   17   13   22                                            
CONECT   19   15   20   21                                            
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   18                                                      
CONECT   23   17                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D02IRO
  -OEChem-09301911162D

 57 60  0     0  0  0  0  0  0999 V2000
    5.4641    3.3170    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    3.6830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    1.9510    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125    2.3516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9904    2.3411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3263    0.8578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4544    2.3545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.2038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.8445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    1.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -0.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    1.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263    1.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4583    1.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -2.2656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -1.5754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.9370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169   -1.3376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.6270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7458    2.6678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8646    0.2245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1230    1.8243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3259    1.8212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1975    0.3747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9946    0.3777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8620    1.1699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 29  1  0  0  0  0
  3 29  1  0  0  0  0
  4 16  2  0  0  0  0
  5 19  1  0  0  0  0
  5 48  1  0  0  0  0
  6 28  2  0  0  0  0
  7 37  1  0  0  0  0
  7 57  1  0  0  0  0
  8 37  2  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 21  1  0  0  0  0
 10 23  2  0  0  0  0
 11 28  1  0  0  0  0
 11 34  1  0  0  0  0
 11 51  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  2  0  0  0  0
 13 17  1  0  0  0  0
 13 19  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 20  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 22  1  0  0  0  0
 18 24  2  0  0  0  0
 19 23  1  0  0  0  0
 20 25  2  0  0  0  0
 20 26  1  0  0  0  0
 21 41  1  0  0  0  0
 22 27  2  0  0  0  0
 22 29  1  0  0  0  0
 23 28  1  0  0  0  0
 24 30  1  0  0  0  0
 24 42  1  0  0  0  0
 25 32  1  0  0  0  0
 25 43  1  0  0  0  0
 26 33  2  0  0  0  0
 26 44  1  0  0  0  0
 27 31  1  0  0  0  0
 27 45  1  0  0  0  0
 30 31  2  0  0  0  0
 30 46  1  0  0  0  0
 31 47  1  0  0  0  0
 32 35  2  0  0  0  0
 32 49  1  0  0  0  0
 33 35  1  0  0  0  0
 33 50  1  0  0  0  0
 34 36  1  0  0  0  0
 34 52  1  0  0  0  0
 34 53  1  0  0  0  0
 35 54  1  0  0  0  0
 36 37  1  0  0  0  0
 36 55  1  0  0  0  0
 36 56  1  0  0  0  0
M  END

$$$$
D02IVA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.212   1.097   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.212   0.272   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.498  -0.141   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.783   0.272   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.783   1.097   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.498   1.509   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.498  -0.966   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.081  -1.549   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.498  -2.132   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.914  -1.549   0.000  1.00  0.00           C  
HETATM   11  F   UNL     1      -3.498  -2.957   0.000  1.00  0.00           F  
HETATM   12  C   UNL     1      -2.200   1.680   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.612   2.395   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.409   2.608   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.616   1.097   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.616   0.272   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1      -1.033   1.680   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.450   1.097   0.000  1.00  0.00           C  
HETATM   19  S   UNL     1      -0.236   0.300   0.000  1.00  0.00           S  
HETATM   20  C   UNL     1       0.588   0.257   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.883   1.027   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1       0.242   1.546   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1       1.000  -0.458   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.797  -0.244   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.512  -0.657   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.125  -0.105   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       2.789   0.649   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       1.969   0.563   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.202   1.364   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       3.998   1.577   0.000  1.00  0.00           N  
HETATM   31  N   UNL     1       4.212   2.374   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       3.629   2.957   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.832   2.744   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.618   1.947   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   12                                            
CONECT    6    5    1                                                 
CONECT    7    3    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    7                                                 
CONECT   11    9                                                      
CONECT   12    5   15   13                                            
CONECT   13   14   12                                                 
CONECT   14   13                                                      
CONECT   15   12   16   17                                            
CONECT   16   15                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   18                                                 
CONECT   23   20   24                                                 
CONECT   24   23   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   24                                                 
CONECT   29   27   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D02JDR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215  -0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.786  -2.062   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.072  -1.650   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.072  -0.825   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.786  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.786   0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.072   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.357   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.357   0.825   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.357   1.650   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.357   2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.072   1.650   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.072   0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.786   0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.786   1.650   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.072   2.062   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.072  -0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.786  -0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.501  -0.412   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.501   0.412   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       1.786  -1.650   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       2.501  -2.062   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       3.215  -0.825   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       3.930  -0.412   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.786   2.062   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.501   1.650   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16   21                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   30                                            
CONECT   18   14   19   22                                            
CONECT   19   18   20   25                                            
CONECT   20   19   21                                                 
CONECT   21   20   15                                                 
CONECT   22   18   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25   28                                            
CONECT   25   24   19                                                 
CONECT   26   23   27                                                 
CONECT   27   26                                                      
CONECT   28   24   29                                                 
CONECT   29   28                                                      
CONECT   30   17   31                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D02JER
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.177  -0.083   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.760   0.501   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.386   1.236   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.429   1.107   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.558   0.292   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       1.557   0.287   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.771  -0.510   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.568  -0.723   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.151  -0.140   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.937   0.657   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.141   0.870   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.273  -0.121   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.987   0.292   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.702  -0.121   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.987   1.117   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.498   0.093   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.948  -0.599   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.429  -1.240   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.658  -0.945   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.273  -0.946   0.000  1.00  0.00           O  
HETATM   21  F   UNL     1       3.521   1.240   0.000  1.00  0.00           F  
HETATM   22  O   UNL     1       3.948  -0.354   0.000  1.00  0.00           O  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    1   12                                            
CONECT    6    2    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   22                                            
CONECT   10    9   11   21                                            
CONECT   11   10    6                                                 
CONECT   12    5   13   20                                            
CONECT   13   12   14   15                                            
CONECT   14   13   16   19                                            
CONECT   15   13                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   12                                                      
CONECT   21   10                                                      
CONECT   22    9                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D02JFV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.071   1.134   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.071   0.309   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.356  -0.104   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.358   0.309   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.358   1.134   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.356   1.546   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.073  -0.104   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.787   0.309   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.787   1.134   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.073   1.546   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.073   2.371   0.000  1.00  0.00           N  
HETATM   12  S   UNL     1       0.358   2.784   0.000  1.00  0.00           S  
HETATM   13  O   UNL     1       0.771   3.498   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1      -0.054   2.069   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.356   3.196   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.356   4.021   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.071   4.434   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.785   4.021   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.785   3.196   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.071   2.784   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.500   4.434   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.358   4.434   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.071   1.959   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.787   2.784   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       1.073  -0.929   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       0.358  -1.341   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.356  -0.929   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.071  -1.341   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.071  -2.166   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.785  -0.929   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       0.358  -2.166   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.356  -2.579   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.356  -3.404   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       0.358  -3.816   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.073  -3.404   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       1.073  -2.579   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1       0.714  -4.021   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1       2.143  -4.021   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       1.429  -4.434   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       2.500   1.960   0.000  1.00  0.00           C  
HETATM   41  O   UNL     1       2.500   2.785   0.000  1.00  0.00           O  
HETATM   42  O   UNL     1       1.785   1.548   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   25                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   12   24                                            
CONECT   12   11   13   14   15                                       
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15   12   16   20                                            
CONECT   16   15   17   22                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15   23                                            
CONECT   21   18                                                      
CONECT   22   16                                                      
CONECT   23   20                                                      
CONECT   24   11   40                                                 
CONECT   25    7   26                                                 
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   26   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   37                                            
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
CONECT   37   34   39                                                 
CONECT   38   39                                                      
CONECT   39   37   38                                                 
CONECT   40   24   41   42                                            
CONECT   41   40                                                      
CONECT   42   40                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D02JOK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.463   0.357   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.463  -0.468   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.748  -0.880   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.034  -0.468   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.034   0.357   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.748   0.770   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.319   0.770   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.395   0.357   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.395  -0.468   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.109  -0.880   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.824  -0.468   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.824   0.357   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.109   0.770   0.000  1.00  0.00           C  
HETATM   14  S   UNL     1       2.538  -0.880   0.000  1.00  0.00           S  
HETATM   15  O   UNL     1       2.126  -1.595   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       3.335  -0.667   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       2.951  -1.595   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       3.335   0.158   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -3.177   0.770   0.000  1.00  0.00          Cl  
HETATM   20  S   UNL     1       4.003   0.643   0.000  1.00  0.00           S  
HETATM   21  C   UNL     1       3.748   1.428   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.923   1.428   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.668   0.643   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.178  -0.880   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.003  -0.880   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       1.108   1.595   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       1.933   1.595   0.000  1.00  0.00           N  
CONECT    1    2    6   19                                            
CONECT    2    1    3   24                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8   26                                            
CONECT   14   11   15   16   17                                       
CONECT   15   14                                                      
CONECT   16   14   18                                                 
CONECT   17   14                                                      
CONECT   18   16   20   23                                            
CONECT   19    1                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24    2   25                                                 
CONECT   25   24                                                      
CONECT   26   13   27                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D02JPV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.731   1.485   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.731   0.660   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.017   0.247   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.302   0.660   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.302   1.485   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.017   1.897   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.517   0.405   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.033   1.072   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.517   1.740   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.504  -0.454   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.214  -0.875   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.204  -1.700   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.485  -2.104   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.225  -1.683   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.232  -0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.946  -0.413   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       0.946   0.412   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       1.660  -0.825   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.375  -0.413   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.089  -0.825   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1      -2.017  -0.578   0.000  1.00  0.00           F  
HETATM   22  O   UNL     1      -3.089   2.104   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.375   1.691   0.000  1.00  0.00           C  
CONECT    1    2    6   22                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   21                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    7   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10   16                                            
CONECT   16   15   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19                                                      
CONECT   21    3                                                      
CONECT   22    1   23                                                 
CONECT   23   22                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D02JQB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.072   1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.072   0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.786   0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.501   0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.501   1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.786   1.856   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1       3.215   1.856   0.000  1.00  0.00          Cl  
HETATM    8  N   UNL     1       0.357   0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.357   0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.072  -0.619   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.357  -1.031   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.357  -0.619   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.357   1.444   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.072  -1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.786  -0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.072  -1.856   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.786   0.619   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.501  -0.619   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.786  -1.031   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.215  -1.031   0.000  1.00  0.00           O  
HETATM   23  H   UNL     1      -1.786  -1.856   0.000  1.00  0.00           H  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    2    9   13                                            
CONECT    9    8   10   14                                            
CONECT   10    9   11   18                                            
CONECT   11   10   12   21                                            
CONECT   12   11   13                                                 
CONECT   13   12    8   15                                            
CONECT   14    9                                                      
CONECT   15   13   16   17                                            
CONECT   16   15                                                      
CONECT   17   15                                                      
CONECT   18   10   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   11   23                                            
CONECT   22   20                                                      
CONECT   23   21                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D02JSW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.572  -0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.143  -0.412   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.143   0.412   0.000  1.00  0.00           O  
HETATM    9  N   UNL     1      -1.429  -0.825   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -0.714  -0.412   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.000  -0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.714  -0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.429  -0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.143  -0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.143   0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.429   0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.714   0.412   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.858   0.825   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       3.572   0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.858   1.650   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.572   2.062   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.287   0.825   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   19   20                                            
CONECT   19   18   22                                                 
CONECT   20   18   21                                                 
CONECT   21   20                                                      
CONECT   22   19                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D02JVX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.725   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.725  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.010  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.296  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.296   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.010   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.419   0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.133   0.412   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.439  -0.825   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1       0.419  -0.825   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.220  -0.408   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.026  -0.580   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.439   0.135   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       1.887   0.748   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7   11   14                                            
CONECT    9    2                                                      
CONECT   10    4                                                      
CONECT   11    8   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    8                                                 
MASTER        0    0    0    0    0    0    0    0   14    0   14    0
END
M  END

$$$$
D02KDA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.572   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.143  -1.031   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.429  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.429   0.206   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.143   0.619   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.715   0.619   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.715  -1.031   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -5.001   0.619   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1      -3.572  -1.856   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       0.000   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.715   0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.715   1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.000   1.856   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.715   1.444   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       1.429   0.206   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.143   0.619   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.143   1.444   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.429   1.856   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       2.858   1.856   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.858   0.206   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       3.572   1.444   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       2.858  -0.619   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.572  -1.031   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.287  -0.619   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.287   0.206   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.572   0.619   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       5.001  -1.031   0.000  1.00  0.00           O  
HETATM   33  O   UNL     1       3.929  -1.238   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1       4.644  -1.650   0.000  1.00  0.00           C  
CONECT    1    2    6   13                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   14                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   15   19                                            
CONECT   12    8                                                      
CONECT   13    1                                                      
CONECT   14    3                                                      
CONECT   15   11   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18   23                                            
CONECT   18   17   19                                                 
CONECT   19   18   11                                                 
CONECT   20   16   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23   24                                            
CONECT   23   22   17                                                 
CONECT   24   22   26                                                 
CONECT   25   21   27   31                                            
CONECT   26   24                                                      
CONECT   27   25   28                                                 
CONECT   28   27   29   33                                            
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   25                                                 
CONECT   32   29                                                      
CONECT   33   28   34                                                 
CONECT   34   33                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D02KMI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.032   1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.032   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.317   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.603   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.603   1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.317   1.650   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.888   0.000   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.174   0.412   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -2.174   1.238   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.888   1.650   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.888  -0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.174  -1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.174  -2.062   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.459  -2.475   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.745  -2.062   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.745  -1.238   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.459  -0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.030  -0.825   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.030   0.000   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       0.684  -1.238   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.684  -2.062   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.399  -2.475   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.113  -2.062   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       2.113  -1.238   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.399  -0.825   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.888   2.475   0.000  1.00  0.00           O  
HETATM   27  F   UNL     1      -0.030  -2.475   0.000  1.00  0.00           F  
HETATM   28  N   UNL     1       2.898  -2.317   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       3.383  -1.650   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       2.898  -0.983   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       4.207  -1.649   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1       4.207  -0.824   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       5.032  -1.649   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       4.207  -2.474   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   26                                            
CONECT   11    7   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   27                                            
CONECT   16   15   17   18                                            
CONECT   17   16   12                                                 
CONECT   18   16   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25   30                                            
CONECT   25   24   20                                                 
CONECT   26   10                                                      
CONECT   27   15                                                      
CONECT   28   23   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29   24                                                 
CONECT   31   29   32   33   34                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D02KNW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.072  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.072  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.786  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.501  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.501  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.786   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.215   0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.930  -0.206   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       4.644   0.206   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       4.644   1.031   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       3.930   1.444   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       3.215   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.357   0.206   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.357  -0.206   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       0.357   1.031   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.072   1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.786   1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.501   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.786  -0.206   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.215   1.444   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.930   1.031   0.000  1.00  0.00           C  
HETATM   24 CL   UNL     1      -4.644   1.444   0.000  1.00  0.00          Cl  
HETATM   25  F   UNL     1      -4.513   0.448   0.000  1.00  0.00           F  
HETATM   26  F   UNL     1      -3.517   0.317   0.000  1.00  0.00           F  
CONECT    1    2    6   13                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    1   14   15                                            
CONECT   14   13   16                                                 
CONECT   15   13                                                      
CONECT   16   14   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   19   23                                                 
CONECT   23   22   24   25   26                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D02KPK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.808  -0.683   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.808  -1.505   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.095  -1.917   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.383  -1.505   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.383  -0.683   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.095  -0.272   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.671  -1.917   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.041  -1.505   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.041  -0.683   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.671  -0.272   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.589  -0.429   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.073  -1.094   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.589  -1.760   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1       0.752  -1.917   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -3.843   0.353   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.671   0.550   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.752  -0.272   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.464  -0.683   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.176  -0.272   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.293   0.964   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.547   1.746   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.351   1.917   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.902   1.306   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.648   0.524   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       2.176   0.550   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1       2.889  -0.683   0.000  1.00  0.00           O  
HETATM   27  N   UNL     1       3.600  -0.272   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       4.351  -0.607   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.902   0.004   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.491   0.716   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.686   0.545   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       3.075   1.095   0.000  1.00  0.00           O  
HETATM   33  O   UNL     1       4.522  -1.411   0.000  1.00  0.00           O  
CONECT    1    2    6   11                                            
CONECT    2    1    3   13                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   14                                            
CONECT    9    8   10   17                                            
CONECT   10    9    5   16                                            
CONECT   11    1   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12    2                                                 
CONECT   14    8                                                      
CONECT   15   11   20   24                                            
CONECT   16   10                                                      
CONECT   17    9   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   25   26                                            
CONECT   20   15   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   15                                                 
CONECT   25   19                                                      
CONECT   26   19   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   27   32                                            
CONECT   32   31                                                      
CONECT   33   28                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D02KWX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.010   0.480   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.010  -0.345   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.724  -0.757   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.439  -0.345   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.439   0.480   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.724   0.892   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.705  -0.757   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.153   0.892   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       2.868   0.480   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1       2.153   1.718   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       3.582   0.892   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       4.297   0.480   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       5.011   0.892   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       5.011   1.718   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.297   2.130   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.582   1.718   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       4.297  -0.345   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.419  -0.345   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.419   0.480   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.134  -0.757   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.887  -0.422   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.439  -1.035   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.027  -1.750   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.220  -1.578   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.142   0.363   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.949   0.534   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.501  -0.079   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.246  -0.864   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.204   1.319   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.652   1.932   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -5.011   1.490   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.607  -2.130   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2   18                                                 
CONECT    8    5    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9   12   16                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   12                                                      
CONECT   18    7   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   21   24                                            
CONECT   21   20   22   25                                            
CONECT   22   21   23   28                                            
CONECT   23   22   24                                                 
CONECT   24   23   20   32                                            
CONECT   25   21   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   22                                                 
CONECT   29   26   30   31                                            
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   24                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D02LBZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.450  -0.273   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.450  -1.098   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.735  -1.511   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.021  -1.098   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.021  -0.273   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.735   0.139   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.235  -0.018   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.720  -0.686   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1      -2.235  -1.353   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1      -2.490   0.766   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.735   0.964   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.694   0.139   0.000  1.00  0.00           C  
HETATM   13  S   UNL     1       0.694  -1.511   0.000  1.00  0.00           S  
HETATM   14  C   UNL     1       1.408  -1.098   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.122  -1.511   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.837  -1.098   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       3.551  -1.511   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       2.122  -2.336   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.937   1.379   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.192   2.164   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.999   2.336   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.551   1.723   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.296   0.938   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.408  -0.273   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.122   0.139   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.122   0.964   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.408   1.377   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.694   0.964   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    6   12                                            
CONECT    6    5    1   11                                            
CONECT    7    1    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    7   19   23                                            
CONECT   11    6                                                      
CONECT   12    5   24   28                                            
CONECT   13    4   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16                                                      
CONECT   18   15                                                      
CONECT   19   10   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   10                                                 
CONECT   24   12   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   12                                                 
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D02LJQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.000   0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.000  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.714  -0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.429  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.429   0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.714   1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.714  -0.619   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.429  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.143  -0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.143  -1.444   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.429  -1.856   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.714  -1.444   0.000  1.00  0.00           C  
HETATM   13  B   UNL     1       2.143   1.031   0.000  1.00  0.00           B  
HETATM   14  O   UNL     1       2.143   1.856   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1       2.858   0.619   0.000  1.00  0.00           O  
HETATM   16  F   UNL     1       0.714   1.856   0.000  1.00  0.00           F  
HETATM   17  F   UNL     1      -2.858  -0.206   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   13                                            
CONECT    6    5    1   16                                            
CONECT    7    2    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   17                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    5   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16    6                                                      
CONECT   17    9                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D02LNB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.010   0.908   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.010   0.084   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.725  -0.329   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.439   0.084   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.439   0.908   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.725   1.321   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.296  -0.329   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.419   0.084   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.296  -1.154   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -1.133  -0.329   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -0.419   0.908   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.887   0.007   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.439  -0.607   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.026  -1.321   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.220  -1.149   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.060   0.814   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.253   0.986   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8    9                                            
CONECT    8    7   10   11                                            
CONECT    9    7                                                      
CONECT   10    8   12   15                                            
CONECT   11    8                                                      
CONECT   12   10   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   12   17                                                 
CONECT   17   16                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D02LWJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.265   0.441   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.440   0.437   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.027   1.151   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.798   1.151   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.053   1.936   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.385   2.421   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.282   1.936   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.210   0.437   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.035   0.437   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.448  -0.278   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.448   1.151   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.749   1.109   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.534   0.855   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.534   0.030   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1      -1.749  -0.226   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1      -3.248   1.268   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.963   0.855   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.963   0.030   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.248  -0.383   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1      -4.677  -0.383   0.000  1.00  0.00           F  
HETATM   21  C   UNL     1       2.035  -0.992   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.448  -1.706   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.273  -1.706   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.685  -0.992   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.273  -0.278   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       3.685   0.437   0.000  1.00  0.00           N  
HETATM   27  N   UNL     1       4.506   0.523   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       4.677   1.330   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.963   1.743   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       3.350   1.191   0.000  1.00  0.00           N  
HETATM   31  F   UNL     1       2.035  -2.421   0.000  1.00  0.00           F  
CONECT    1    2   12   15                                            
CONECT    2    1    3                                                 
CONECT    3    4    7    2                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    3                                                 
CONECT    8    9    4                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   21   25                                            
CONECT   11    9                                                      
CONECT   12    1   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   19                                            
CONECT   15   14    1                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   14                                                 
CONECT   20   18                                                      
CONECT   21   10   22                                                 
CONECT   22   21   23   31                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   10   26                                            
CONECT   26   25   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   26                                                 
CONECT   31   22                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D02MAG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       3.156   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       3.156   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       3.871  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       4.585   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       4.585   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.871   1.444   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.442   1.444   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.727   1.031   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.727   0.206   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       2.442  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.013  -0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.298   0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.416  -0.206   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.416  -1.031   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.298  -1.444   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.013  -1.031   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       0.127   1.013   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.694   1.099   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.029   0.346   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.836   0.174   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.449   0.726   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.164   0.314   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.992  -0.493   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.172  -0.579   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.918   0.649   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.585   0.164   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1      -3.544  -1.106   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1      -1.759  -1.294   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    2                                                 
CONECT   11    9   12   16                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14   19                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   12   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   13   20                                            
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24   27                                            
CONECT   24   23   20   28                                            
CONECT   25   22   26                                                 
CONECT   26   25                                                      
CONECT   27   23                                                      
CONECT   28   24                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D02MGJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.715   1.905   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.715   1.080   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.429   0.668   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.143   1.080   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.143   1.905   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.429   2.318   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.429   3.143   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.143   3.555   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       2.858   3.143   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1       2.143   4.380   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.429  -0.157   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.143  -0.570   0.000  1.00  0.00           N  
HETATM   13  P   UNL     1       0.715  -0.570   0.000  1.00  0.00           P  
HETATM   14 XX   UNL     1       2.858  -0.157   0.000  1.00  0.00          Xx  
HETATM   15  O   UNL     1       0.000  -0.157   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       0.715  -1.395   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1       0.715   0.255   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.715  -0.570   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.429  -0.157   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.143  -0.570   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.143  -1.395   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.429  -1.807   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.715  -1.395   0.000  1.00  0.00           C  
HETATM   24 XX   UNL     1      -2.858  -1.807   0.000  1.00  0.00          Xx  
HETATM   25  C   UNL     1       1.171  -2.237   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.759  -2.951   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.171  -3.666   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.996  -3.666   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.409  -2.951   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.996  -2.237   0.000  1.00  0.00           C  
HETATM   31 XX   UNL     1       2.409  -4.380   0.000  1.00  0.00          Xx  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   11                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11    3   12   13                                            
CONECT   12   11   14                                                 
CONECT   13   11   15   16   17                                       
CONECT   14   12                                                      
CONECT   15   13   18                                                 
CONECT   16   13   25                                                 
CONECT   17   13                                                      
CONECT   18   15   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   21                                                      
CONECT   25   16   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END

$$$$

$$$$

$$$$
D02MTQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.840   1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.840   0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.126   0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.412   0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.412   1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.126   1.856   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -5.555   1.856   0.000  1.00  0.00           F  
HETATM    8  F   UNL     1      -5.555   0.206   0.000  1.00  0.00           F  
HETATM    9  C   UNL     1      -2.697   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.982   0.619   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.697  -0.619   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1      -1.268   0.206   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.554   0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.554   1.444   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.268   1.856   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.982   1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.982  -1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.982  -1.856   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.268  -0.619   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       0.161   1.856   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.875   1.444   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       0.875   0.619   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.590   0.206   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.304   0.619   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.304   1.444   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.590   1.856   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       2.304  -0.206   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       3.089  -0.461   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.574   0.206   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.089   0.874   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.394   0.292   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.730   1.046   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       4.245   1.714   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1       3.425   1.627   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1       5.555   1.046   0.000  1.00  0.00           F  
HETATM   36  C   UNL     1      -2.697   1.031   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1      -1.875   1.031   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1      -2.697   1.853   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1      -3.519   1.031   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    2                                                      
CONECT    9   36    4   10   11                                       
CONECT   10    9   12   16                                            
CONECT   11    9   17                                                 
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   20                                            
CONECT   15   14   16                                                 
CONECT   16   15   10                                                 
CONECT   17   11   18   19                                            
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20   14   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27   30                                       
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29   24   34                                            
CONECT   31   29   32                                                 
CONECT   32   31   33   35                                            
CONECT   33   32   34                                                 
CONECT   34   33   30                                                 
CONECT   35   32                                                      
CONECT   36   37   38   39    9                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   36                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D02NNZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.067   1.927   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.067   1.102   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.353   0.689   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.638   1.102   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.638   1.927   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.353   2.339   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.924   0.689   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.838  -0.131   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.031  -0.303   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.382   0.412   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.170   1.025   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.451  -0.683   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.235  -0.428   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.849  -0.980   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.677  -1.787   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.892  -2.042   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.279  -1.490   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -0.495  -1.745   0.000  1.00  0.00          Cl  
HETATM   19 CL   UNL     1      -3.290  -2.339   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1       1.202   0.498   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1      -3.782   2.339   0.000  1.00  0.00          Cl  
HETATM   22  O   UNL     1       1.538   1.252   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1       1.687  -0.169   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1       2.512  -0.169   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       2.997  -0.837   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.782  -0.582   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.782   0.243   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.997   0.498   0.000  1.00  0.00           C  
CONECT    1    2    6   21                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   20                                            
CONECT   11   10    7                                                 
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   18                                            
CONECT   18   17                                                      
CONECT   19   15                                                      
CONECT   20   10   22   23                                            
CONECT   21    1                                                      
CONECT   22   20                                                      
CONECT   23   20   24                                                 
CONECT   24   23   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   24                                                 
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D02NPB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.644   0.434   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.644  -0.391   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.930  -0.803   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.215  -0.391   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.215   0.434   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.930   0.847   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.359  -0.803   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.501   0.847   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.214   0.434   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.928   0.847   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.643   0.434   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.729  -0.386   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.536  -0.558   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.948   0.157   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.396   0.770   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.948  -1.272   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.773  -1.272   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       4.186  -0.558   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.773   0.157   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.515   1.561   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.341   1.561   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.711  -1.987   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.361   2.084   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.361   1.259   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1      -2.536   1.259   0.000  1.00  0.00           F  
HETATM   26  F   UNL     1      -3.361   0.434   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1      -4.186   1.259   0.000  1.00  0.00           F  
HETATM   28  S   UNL     1       2.485  -2.084   0.000  1.00  0.00           S  
HETATM   29  O   UNL     1       1.710  -1.802   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       2.628  -1.272   0.000  1.00  0.00           O  
CONECT    1    2    6   23                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   20   21                                       
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   19                                            
CONECT   15   14   11                                                 
CONECT   16   13   17   28                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   10                                                      
CONECT   21   10                                                      
CONECT   22   28                                                      
CONECT   23    1   24                                                 
CONECT   24   23   25   26   27                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
CONECT   28   16   22   29   30                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D02NRD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.072  -0.327   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.357  -0.740   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.357  -0.327   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.357   0.498   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357   0.910   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072   0.498   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.072   0.910   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.786   0.498   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.501   0.910   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.501   1.735   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.786   2.148   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.072   1.735   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.215   2.148   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.930   1.735   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.786  -0.740   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       4.644   2.148   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1       3.930   0.910   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1      -2.501  -0.327   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.215  -0.740   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.215  -1.565   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.501  -1.977   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.786  -1.565   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.930  -0.327   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -4.644  -0.740   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.644  -1.565   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.930  -1.977   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.961  -1.565   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.203  -2.148   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.930   0.498   0.000  1.00  0.00           N  
CONECT    1    2    6   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   16   17                                            
CONECT   15    1   18   22                                            
CONECT   16   14                                                      
CONECT   17   14                                                      
CONECT   18   15   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21   26                                            
CONECT   21   20   22                                                 
CONECT   22   21   15   27   28                                       
CONECT   23   19   24   29                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   20                                                 
CONECT   27   22                                                      
CONECT   28   22                                                      
CONECT   29   23                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D02OAH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.566   0.082   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.148  -0.330   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.863   0.082   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       1.577  -0.330   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.292   0.082   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       0.863   0.907   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1       3.006  -0.330   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.720   0.082   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.720   0.907   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.006   1.320   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.292   0.907   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.653   0.903   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.460   1.074   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.872   0.360   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.320  -0.253   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.693   0.274   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.178   0.941   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.998   0.855   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.333   0.101   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.849  -0.566   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.028  -0.480   0.000  1.00  0.00           C  
HETATM   22  H   UNL     1      -4.184  -1.320   0.000  1.00  0.00           H  
HETATM   23  F   UNL     1      -2.543  -1.147   0.000  1.00  0.00           F  
HETATM   24  C   UNL     1       3.178  -1.137   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       3.998  -1.223   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1       4.333  -0.470   0.000  1.00  0.00           N  
CONECT    1    2   12   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4    7   11                                            
CONECT    6    3                                                      
CONECT    7    5    8   24                                            
CONECT    8    7    9   26                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    5                                                 
CONECT   12    1   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14    1                                                 
CONECT   16   14   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   16   23                                            
CONECT   22   20                                                      
CONECT   23   21                                                      
CONECT   24    7   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25    8                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D02OBW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNK A   0      -3.868   2.147   0.000  1.00  0.00           C  
HETATM    2  C   UNK A   0      -4.284   1.434   0.000  1.00  0.00           C  
HETATM    3  C   UNK A   0      -3.874   0.718   0.000  1.00  0.00           C  
HETATM    4  C   UNK A   0      -3.049   0.715   0.000  1.00  0.00           C  
HETATM    5  C   UNK A   0      -2.634   1.427   0.000  1.00  0.00           C  
HETATM    6  C   UNK A   0      -3.043   2.143   0.000  1.00  0.00           C  
HETATM    7  C   UNK A   0      -2.640  -0.002   0.000  1.00  0.00           C  
HETATM    8  N   UNK A   0      -1.815  -0.005   0.000  1.00  0.00           N  
HETATM    9  C   UNK A   0      -3.055  -0.715   0.000  1.00  0.00           C  
HETATM   10  C   UNK A   0      -3.880  -0.711   0.000  1.00  0.00           C  
HETATM   11  C   UNK A   0      -4.296  -1.424   0.000  1.00  0.00           C  
HETATM   12  C   UNK A   0      -3.886  -2.140   0.000  1.00  0.00           C  
HETATM   13  C   UNK A   0      -3.061  -2.143   0.000  1.00  0.00           C  
HETATM   14  C   UNK A   0      -2.646  -1.431   0.000  1.00  0.00           C  
HETATM   15 CL   UNK A   0      -4.278   2.863   0.000  1.00  0.00          Cl  
HETATM   16 CL   UNK A   0      -4.302  -2.853   0.000  1.00  0.00          Cl  
HETATM   17  C   UNK A   0      -1.234  -0.591   0.000  1.00  0.00           C  
HETATM   18  C   UNK A   0      -0.648  -0.005   0.000  1.00  0.00           C  
HETATM   19  C   UNK A   0      -1.234   0.581   0.000  1.00  0.00           C  
HETATM   20  N   UNK A   0       0.177  -0.005   0.000  1.00  0.00           N  
HETATM   21  C   UNK A   0       0.589   0.709   0.000  1.00  0.00           C  
HETATM   22  S   UNK A   0       0.589  -0.720   0.000  1.00  0.00           S  
HETATM   23  C   UNK A   0       1.414   0.709   0.000  1.00  0.00           C  
HETATM   24  C   UNK A   0       1.827   1.424   0.000  1.00  0.00           C  
HETATM   25  C   UNK A   0       1.414   2.138   0.000  1.00  0.00           C  
HETATM   26  C   UNK A   0       0.589   2.138   0.000  1.00  0.00           C  
HETATM   27  C   UNK A   0       0.177   1.424   0.000  1.00  0.00           C  
HETATM   28  F   UNK A   0       0.177   2.853   0.000  1.00  0.00           F  
HETATM   29  F   UNK A   0       2.652   1.424   0.000  1.00  0.00           F  
HETATM   30  C   UNK A   0       1.414  -0.720   0.000  1.00  0.00           C  
HETATM   31  C   UNK A   0       1.827  -1.434   0.000  1.00  0.00           C  
ATOM     32  N   ALA A   1       2.652  -1.434   0.000  1.00  0.00           N  
HETATM   33  O   UNK A   0       1.414  -2.149   0.000  1.00  0.00           O  
ATOM     34  CA  ALA A   1       3.064  -2.149   0.000  1.00  0.00           C  
ATOM     35  C   ALA A   1       3.889  -2.149   0.000  1.00  0.00           C  
ATOM     36  O   ALA A   1       4.302  -2.863   0.000  1.00  0.00           O  
ATOM     37  OXT ALA A   1       4.302  -1.434   0.000  1.00  0.00           O  
HETATM   38  O   UNK A   0      -0.208  -0.933   0.000  1.00  0.00           O  
HETATM   39  O   UNK A   0       0.589  -1.545   0.000  1.00  0.00           O  
ATOM     40  CB  ALA A   1       2.652  -2.863   0.000  1.00  0.00           C  
CONECT    1    2    6   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   17   19                                            
CONECT    9    7   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    1                                                      
CONECT   16   12                                                      
CONECT   17    8   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18    8                                                 
CONECT   20   18   21   22                                            
CONECT   21   20   23   27                                            
CONECT   22   20   30   38   39                                       
CONECT   23   21   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   21                                                 
CONECT   28   26                                                      
CONECT   29   24                                                      
CONECT   30   22   31                                                 
CONECT   31   30   32   33                                            
CONECT   32   31   34                                                 
CONECT   33   31                                                      
CONECT   34   32   35   40                                            
CONECT   35   34   36   37                                            
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   22                                                      
CONECT   39   22                                                      
CONECT   40   34                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D02ODA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786   1.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786   1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072   0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357   1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357   1.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072   2.269   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.357   0.619   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.072   1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.072   1.856   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.357   2.269   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.357   0.206   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.357  -0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.357  -1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.072  -0.619   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       1.072   0.206   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.072  -1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.072  -1.856   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.357  -2.269   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.357  -1.856   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.072  -2.269   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.786  -1.856   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.786  -1.031   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       0.357   3.094   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       1.072  -3.094   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1      -1.072   3.094   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   25                                            
CONECT    7    4    8   11   15                                       
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   23                                            
CONECT   11    7   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14   19                                            
CONECT   14   13   15   22                                            
CONECT   15   14    7                                                 
CONECT   16   12   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   13   20                                            
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   14                                                 
CONECT   23   10                                                      
CONECT   24   20                                                      
CONECT   25    6                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D02OGA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  S   UNL     1      -0.322   0.667   0.000  1.00  0.00           S  
HETATM    2  N   UNL     1      -0.536  -0.129   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.156  -0.579   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.797  -0.059   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.502   0.711   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.306  -0.425   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.103  -0.211   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.103   0.614   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.817   1.026   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.532   0.614   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.532  -0.211   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.817  -0.624   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.512  -0.472   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.226  -0.059   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.980  -0.395   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.532   0.218   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.119   0.932   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       2.312   0.761   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       0.951   1.403   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1       0.199  -1.403   0.000  1.00  0.00           O  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4   20                                            
CONECT    4    3    5   13                                            
CONECT    5    4    1   19                                            
CONECT    6    2    7                                                 
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    4   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   14                                                 
CONECT   19    5                                                      
CONECT   20    3                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D02OJH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  O   UNL     1       2.001   1.526   0.000  1.00  0.00           O  
HETATM    2  C   UNL     1       2.716   1.114   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       3.430   1.526   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       4.184   1.191   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       4.736   1.804   0.000  1.00  0.00           N  
HETATM    6  O   UNL     1       4.323   2.518   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1       3.516   2.347   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       4.355   0.384   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.742  -0.168   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.914  -0.975   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       4.698  -1.230   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       5.311  -0.678   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       5.140   0.129   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.903   2.899   0.000  1.00  0.00           C  
HETATM   15 CL   UNL     1       2.958   0.087   0.000  1.00  0.00          Cl  
HETATM   16 CL   UNL     1       5.753   0.681   0.000  1.00  0.00          Cl  
HETATM   17  C   UNL     1       2.648   3.683   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.096   3.070   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.287   1.114   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.572   1.526   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.142   1.114   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.142   0.289   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.572  -0.124   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.287   0.289   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.755  -0.263   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.420  -1.017   0.000  1.00  0.00           C  
HETATM   27  S   UNL     1       0.401  -0.931   0.000  1.00  0.00           S  
HETATM   28  C   UNL     1      -0.832  -1.731   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.657  -1.731   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.070  -2.446   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.657  -3.160   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.832  -3.160   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.420  -2.446   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.784  -2.858   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1      -2.784  -3.683   0.000  1.00  0.00           O  
HETATM   36  N   UNL     1      -3.499  -2.446   0.000  1.00  0.00           N  
HETATM   37  S   UNL     1      -4.213  -2.858   0.000  1.00  0.00           S  
HETATM   38  C   UNL     1      -4.928  -2.446   0.000  1.00  0.00           C  
HETATM   39  O   UNL     1      -3.630  -3.442   0.000  1.00  0.00           O  
HETATM   40  O   UNL     1      -4.626  -3.573   0.000  1.00  0.00           O  
HETATM   41  C   UNL     1      -5.340  -1.731   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.753  -2.446   0.000  1.00  0.00           C  
CONECT    1    2   19                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    3   14                                            
CONECT    8    4    9   13                                            
CONECT    9    8   10   15                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8   16                                            
CONECT   14    7   17   18                                            
CONECT   15    9                                                      
CONECT   16   13                                                      
CONECT   17   14   18                                                 
CONECT   18   17   14                                                 
CONECT   19    1   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24   27                                            
CONECT   24   23   19                                                 
CONECT   25   22   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   23                                                 
CONECT   28   26   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31   34                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34   30   35   36                                            
CONECT   35   34                                                      
CONECT   36   34   37                                                 
CONECT   37   36   38   39   40                                       
CONECT   38   37   41   42                                            
CONECT   39   37                                                      
CONECT   40   37                                                      
CONECT   41   38   42                                                 
CONECT   42   41   38                                                 
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D02OLJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.414   1.997   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.300   2.409   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.015   1.997   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.729   2.409   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1       0.300   3.234   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1       2.444   1.997   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.158   2.409   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.158   3.234   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.444   3.647   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.729   3.234   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       3.873   3.647   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.129   2.409   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.843   1.997   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.843   1.172   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.129   0.759   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.414   1.172   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.558   0.759   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.558  -0.066   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.272  -0.478   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.272  -1.303   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.558  -1.716   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.843  -1.303   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.843  -0.478   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.987  -0.066   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.987   0.759   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1      -4.701  -0.478   0.000  1.00  0.00           N  
HETATM   27  F   UNL     1      -1.129  -0.066   0.000  1.00  0.00           F  
HETATM   28  O   UNL     1      -2.558  -2.541   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.272  -2.953   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.069  -2.740   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.282  -3.536   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.486  -3.750   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1      -4.997  -3.949   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1       4.585   3.234   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1       4.172   2.520   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1       3.870   3.647   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1       4.997   3.949   0.000  1.00  0.00           F  
CONECT    1    2   12   16                                            
CONECT    2    1    3    5                                            
CONECT    3    2    4                                                 
CONECT    4    3    6   10                                            
CONECT    5    2                                                      
CONECT    6    4    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    8   34                                                 
CONECT   12    1   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16   27                                            
CONECT   16   15    1                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   28                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   19   25   26                                            
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   15                                                      
CONECT   28   21   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   32   33                                            
CONECT   32   31   29                                                 
CONECT   33   31                                                      
CONECT   34   11   35   36   37                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END

$$$$

$$$$

$$$$
D02OXG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.993   2.254   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.993   1.429   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.278   1.016   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.564   1.429   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.564   2.254   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.278   2.666   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.849   1.016   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.135   1.429   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.420   1.016   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.706   1.429   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -1.420   0.191   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.009   1.016   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.723   1.429   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.438   1.016   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       0.723   2.254   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       2.152   1.429   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.866   1.016   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       2.953   0.196   0.000  1.00  0.00           O  
HETATM   19  N   UNL     1       3.760   0.024   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       4.172   0.739   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.620   1.352   0.000  1.00  0.00           C  
HETATM   22 BR   UNL     1       4.993   0.825   0.000  1.00  0.00          Br  
HETATM   23  C   UNL     1       0.009   0.191   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.404  -0.523   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.229  -0.523   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.641  -1.238   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.229  -1.952   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.404  -1.952   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.009  -1.238   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.641  -2.666   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   12                                                 
CONECT   11    9                                                      
CONECT   12   10   13   23                                            
CONECT   13   12   14   15                                            
CONECT   14   13   16                                                 
CONECT   15   13                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   17                                                 
CONECT   22   20                                                      
CONECT   23   12   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D02PFE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.959  -0.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.959  -1.681   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.244  -2.093   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.530  -1.681   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.530  -0.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.244  -0.443   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.815  -2.093   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.101  -1.681   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.101  -0.856   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.815  -0.443   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.386  -0.443   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.386   0.382   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.101   0.794   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.815   0.382   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.602  -0.698   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.117  -0.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.602   0.636   0.000  1.00  0.00           C  
HETATM   18  H   UNL     1      -3.815  -1.268   0.000  1.00  0.00           H  
HETATM   19  C   UNL     1      -2.386  -2.093   0.000  1.00  0.00           C  
HETATM   20  H   UNL     1      -2.386  -1.268   0.000  1.00  0.00           H  
HETATM   21  C   UNL     1      -3.101  -0.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.386   1.207   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -6.673  -2.093   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.602   1.462   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.887   1.874   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.173   1.462   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       0.542   1.874   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.256   1.462   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       1.970   1.874   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       1.970   2.699   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.685   1.462   0.000  1.00  0.00           C  
HETATM   32  C   UNL     2       5.006  -1.262   0.000  1.00  0.00           C  
HETATM   33  C   UNL     2       5.436  -0.558   0.000  1.00  0.00           C  
HETATM   34  C   UNL     2       5.041   0.166   0.000  1.00  0.00           C  
HETATM   35  O   UNL     2       4.611  -0.558   0.000  1.00  0.00           O  
HETATM   36  C   UNL     2       6.261  -0.555   0.000  1.00  0.00           C  
HETATM   37  O   UNL     2       6.673   0.159   0.000  1.00  0.00           O  
HETATM   38  O   UNL     2       6.673  -1.270   0.000  1.00  0.00           O  
HETATM   39  C   UNL     2       5.470   0.871   0.000  1.00  0.00           C  
HETATM   40  O   UNL     2       5.058   1.586   0.000  1.00  0.00           O  
HETATM   41  O   UNL     2       6.295   0.871   0.000  1.00  0.00           O  
HETATM   42  C   UNL     2       5.401  -1.985   0.000  1.00  0.00           C  
HETATM   43  O   UNL     2       6.226  -1.985   0.000  1.00  0.00           O  
HETATM   44  O   UNL     2       4.989  -2.699   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   23                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   19                                            
CONECT    9    8   10   11   21                                       
CONECT   10    9    5   14   18                                       
CONECT   11    9   12   15   20                                       
CONECT   12   11   13   17   22                                       
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   24                                            
CONECT   18   10                                                      
CONECT   19    8                                                      
CONECT   20   11                                                      
CONECT   21    9                                                      
CONECT   22   12                                                      
CONECT   23    2                                                      
CONECT   24   17   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   33   42                                                 
CONECT   33   32   34   35   36                                       
CONECT   34   33   39                                                 
CONECT   35   33                                                      
CONECT   36   33   37   38                                            
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   34   40   41                                            
CONECT   40   39                                                      
CONECT   41   39                                                      
CONECT   42   32   43   44                                            
CONECT   43   42                                                      
CONECT   44   42                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
M  END

$$$$
D02PFP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -0.996   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -1.821   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.786  -2.234   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.072  -1.821   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072  -0.996   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.786  -0.584   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.357  -2.234   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.357  -1.821   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.357  -0.996   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.357  -0.584   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.215  -2.234   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.958   0.223   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.778   0.309   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -3.114  -0.444   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.406   0.836   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.599   0.665   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.047   1.278   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.302   2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.109   2.234   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.661   1.621   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1      -2.468   1.792   0.000  1.00  0.00          Cl  
HETATM   22  C   UNL     1       1.072  -0.584   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.786  -0.171   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.501   0.241   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.501   1.066   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       1.786   1.479   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.215   1.479   0.000  1.00  0.00           C  
CONECT    1    2    6   14                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   12                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   22                                            
CONECT   10    9    5                                                 
CONECT   11    2                                                      
CONECT   12    6   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    1                                                 
CONECT   15   12   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
CONECT   22    9   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25                                                      
CONECT   27   25                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D02PJI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  O   UNL     1       1.090  -0.060   0.000  1.00  0.00           O  
HETATM    2  O   UNL     1       1.501  -2.196   0.000  1.00  0.00           O  
HETATM    3  C   UNL     1      -0.143  -2.196   0.000  1.00  0.00           C  
HETATM    4  O   UNL     1      -1.376  -1.484   0.000  1.00  0.00           O  
HETATM    5  N   UNL     1      -2.198  -0.060   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.376  -0.060   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.965   0.652   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.376   1.364   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.163   2.158   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.396   2.453   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.267   3.265   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.906   3.782   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.674   3.488   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.802   2.676   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.468   3.700   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.985   4.339   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.797   4.211   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.092   3.443   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.574   2.804   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.762   2.933   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.787   2.010   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.499   1.599   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.499   0.777   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.786   0.366   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.574  -0.428   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.780  -0.641   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1      -5.211   0.366   0.000  1.00  0.00           O  
HETATM   28  N   UNL     1       2.324  -0.772   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       1.501  -0.772   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.090  -1.484   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.268  -1.484   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1      -0.143  -0.772   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1      -0.965  -0.772   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1      -2.567  -1.435   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1      -4.288  -0.841   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.736  -1.486   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.561  -1.486   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       3.974  -2.201   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       4.799  -2.201   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       5.211  -1.486   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       4.799  -0.772   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       3.974  -0.772   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       0.270  -2.910   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.143  -3.625   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1       0.270  -4.339   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1       1.095  -4.339   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1       1.507  -3.625   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1       1.095  -2.910   0.000  1.00  0.00           C  
CONECT    1   29                                                      
CONECT    2   30                                                      
CONECT    3   31   43                                                 
CONECT    4   33                                                      
CONECT    5    6   26                                                 
CONECT    6    5    7   33                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13    9                                                 
CONECT   15   13   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   15                                                 
CONECT   21   19   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   35                                            
CONECT   26    5   25   34                                            
CONECT   27   23                                                      
CONECT   28   29   36                                                 
CONECT   29    1   28   30                                            
CONECT   30    2   29   31                                            
CONECT   31    3   30   32                                            
CONECT   32   31   33                                                 
CONECT   33    4   32    6                                            
CONECT   34   26                                                      
CONECT   35   25                                                      
CONECT   36   28   37                                                 
CONECT   37   36   38   42                                            
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41                                                 
CONECT   41   40   42                                                 
CONECT   42   41   37                                                 
CONECT   43    3   44   48                                            
CONECT   44   43   45                                                 
CONECT   45   44   46                                                 
CONECT   46   45   47                                                 
CONECT   47   46   48                                                 
CONECT   48   47   43                                                 
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
M  END

$$$$
D02QJE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.004  -0.206   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.719   0.206   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.433  -0.206   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       2.148   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.710   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.710   1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.425   1.444   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.139   1.031   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.139   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.425  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.853  -0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.853  -1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.139  -1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.425  -1.031   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.568   0.206   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       0.719   1.031   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       2.862  -0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.577   0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.577   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.862   1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.148   1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.034  -1.013   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       3.854  -1.099   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1       4.190  -0.346   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       4.997  -0.174   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.282  -0.206   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -4.997  -0.619   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -4.695   0.508   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -3.870  -0.921   0.000  1.00  0.00           F  
CONECT    1    2    5                                                 
CONECT    2    1    3   16                                            
CONECT    3    2    4                                                 
CONECT    4    3   17   21                                            
CONECT    5    1    6   10                                            
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11   26                                                 
CONECT   16    2                                                      
CONECT   17    4   18   22                                            
CONECT   18   17   19   24                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20    4                                                 
CONECT   22   17   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   18   25                                            
CONECT   25   24                                                      
CONECT   26   15   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D02QKC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930  -1.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930  -2.681   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215  -3.094   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501  -2.681   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501  -1.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215  -1.444   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.786  -3.094   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.072  -2.681   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.072  -1.856   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.786  -1.444   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.357  -1.444   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.786  -0.619   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.072  -0.206   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.072   0.619   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.357   1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.357   1.856   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.072   2.269   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.786   1.856   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.786   1.031   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.357   2.269   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.072   1.856   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.786   2.269   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.072   1.031   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       2.501   1.856   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.786   3.094   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.501   1.031   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.215   0.619   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.930   1.031   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.930   1.856   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.215   2.269   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   12                                            
CONECT   11    9                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   16   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   24   25                                            
CONECT   23   21                                                      
CONECT   24   22   26   30                                            
CONECT   25   22                                                      
CONECT   26   24   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   24                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END

$$$$

$$$$

$$$$
D02QTG
  -OEChem-09301911172D

 82 83  0     1  0  0  0  0  0999 V2000
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   10.0021    0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681   -0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6002    3.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -5.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
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  1 24  1  0  0  0  0
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 16  6  1  1  0  0  0
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 17 21  1  0  0  0  0
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 20 23  1  0  0  0  0
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 21 50  1  0  0  0  0
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 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 23 26  1  0  0  0  0
 23 56  1  0  0  0  0
 23 57  1  0  0  0  0
 24 27  1  0  0  0  0
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 26 60  1  0  0  0  0
 26 61  1  0  0  0  0
 27 29  2  0  0  0  0
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 38 71  1  0  0  0  0
 39 41  1  0  0  0  0
 39 72  1  0  0  0  0
 41 42  1  0  0  0  0
M  END

$$$$
D02QWP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.843   0.174   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.128   0.586   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.414   0.174   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.414  -0.651   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.699  -1.064   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.015  -0.651   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.015   0.174   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.699   0.586   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.730   0.586   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       1.444   0.174   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.658  -0.623   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.482  -0.666   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       2.777   0.104   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.136   0.623   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.574   0.317   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.157  -0.266   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.954  -0.052   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       5.168   0.745   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.585   1.328   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.788   1.114   0.000  1.00  0.00           C  
HETATM   21  S   UNL     1       5.965   0.958   0.000  1.00  0.00           S  
HETATM   22  O   UNL     1       2.136   1.448   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       2.931  -1.358   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       0.943  -1.036   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.658  -1.448   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.557   0.586   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.272   0.174   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.986   0.586   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.701   0.174   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -6.415   0.586   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -7.130   0.174   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.415   1.411   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1      -2.843  -0.651   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1       6.546   0.377   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1       5.963  -0.206   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1       5.963   0.961   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1       7.130   0.961   0.000  1.00  0.00           F  
CONECT    1    2   26   33                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    8    9                                            
CONECT    8    7    3                                                 
CONECT    9    7   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12   24   25                                       
CONECT   12   11   13   23                                            
CONECT   13   12   14   15                                            
CONECT   14   13   10   22                                            
CONECT   15   13   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   34                                                 
CONECT   22   14                                                      
CONECT   23   12                                                      
CONECT   24   11                                                      
CONECT   25   11                                                      
CONECT   26    1   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33    1                                                      
CONECT   34   21   35   36   37                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D02RCY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.477  -1.982   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.477  -2.808   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.763  -3.220   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.048  -2.808   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.048  -1.982   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.763  -1.570   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.334  -3.220   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.619  -2.808   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.619  -1.982   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.334  -1.570   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.006  -1.431   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.342  -0.677   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1      -1.162  -0.763   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.791  -1.644   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       1.004  -2.441   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       1.374  -1.061   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.161  -0.264   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.171  -1.274   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.384  -2.071   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.744   0.320   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       1.530   1.117   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1       2.541   0.106   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       2.114   1.700   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.911   1.486   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.494   2.070   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.280   2.867   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.483   3.080   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.900   2.497   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1       3.124   0.689   0.000  1.00  0.00           F  
HETATM   30  C   UNL     1       1.801  -2.655   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.015  -3.451   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.812  -3.665   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.395  -3.082   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.181  -2.285   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1       4.192  -3.295   0.000  1.00  0.00           F  
HETATM   36 CL   UNL     1      -4.192  -1.570   0.000  1.00  0.00          Cl  
HETATM   37  C   UNL     1      -1.714  -0.150   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       2.054   3.665   0.000  1.00  0.00           C  
HETATM   39  O   UNL     1       2.851   3.451   0.000  1.00  0.00           O  
HETATM   40  O   UNL     1       1.471   3.082   0.000  1.00  0.00           O  
CONECT    1    2    6   36                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   13                                            
CONECT   11    9   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12   10   37                                            
CONECT   14   11   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17   18                                            
CONECT   17   16   20                                                 
CONECT   18   16   19                                                 
CONECT   19   18   30   34                                            
CONECT   20   17   21   22                                            
CONECT   21   20   23                                                 
CONECT   22   20                                                      
CONECT   23   21   24   28                                            
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   38                                            
CONECT   28   27   23                                                 
CONECT   29   24                                                      
CONECT   30   19   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   35                                            
CONECT   34   33   19                                                 
CONECT   35   33                                                      
CONECT   36    1                                                      
CONECT   37   13                                                      
CONECT   38   27   39   40                                            
CONECT   39   38                                                      
CONECT   40   38                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D02RRE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.433   1.574   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.629   1.403   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.218   2.115   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.768   2.726   0.000  1.00  0.00           N  
HETATM    5  N   UNL     1      -1.519   2.392   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.231   2.803   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.437   0.728   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.294   0.652   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.308  -1.570   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.020  -1.981   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.732  -1.570   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.732  -0.748   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.020  -0.336   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.308  -0.748   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.219   0.982   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.830   0.432   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.659  -0.372   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.877  -0.626   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.266  -0.076   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.044   1.024   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.826   1.278   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.705  -0.060   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1      -0.155  -0.671   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       0.596  -0.336   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       0.510   0.481   0.000  1.00  0.00           N  
HETATM   26  F   UNL     1       2.020   0.486   0.000  1.00  0.00           F  
HETATM   27  C   UNL     1       3.444  -1.981   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       3.444  -2.803   0.000  1.00  0.00           O  
HETATM   29  N   UNL     1       4.156  -1.570   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       4.870  -1.982   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.084  -2.779   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       5.881  -2.566   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       5.667  -1.769   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.270  -0.922   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1      -5.820  -0.311   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1      -5.881  -1.472   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -4.720  -1.533   0.000  1.00  0.00           F  
CONECT    1    2    5   20                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    1    6                                            
CONECT    6    5                                                      
CONECT    7   15   19   21                                            
CONECT    8    2   22   25                                            
CONECT    9   10   14                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   27                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   26                                            
CONECT   14   13    9   24                                            
CONECT   15    7   16                                                 
CONECT   16   15   17                                                 
CONECT   17   34   16   18                                            
CONECT   18   17   19                                                 
CONECT   19   18    7                                                 
CONECT   20   21    1                                                 
CONECT   21   20    7                                                 
CONECT   22    8   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   14                                            
CONECT   25   24    8                                                 
CONECT   26   13                                                      
CONECT   27   11   28   29                                            
CONECT   28   27                                                      
CONECT   29   27   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   30                                                 
CONECT   34   35   36   37   17                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D02SGL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.175  -0.623   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.350  -0.623   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.063   0.091   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.350   0.806   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.175   0.806   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.587   0.091   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.412   0.091   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.825   0.806   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1      -2.825  -0.623   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       0.888   0.091   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.373  -0.576   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.157  -0.321   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       2.157   0.504   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.373   0.759   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1       2.825  -0.806   0.000  1.00  0.00           S  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   10                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8    9                                            
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    3   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   12                                                      
MASTER        0    0    0    0    0    0    0    0   15    0   15    0
END
M  END

$$$$
D02SJB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.570  -0.995   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.570  -1.820   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.856  -2.233   0.000  1.00  0.00           N  
HETATM    4  N   UNL     1      -0.141  -1.820   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.141  -0.995   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.856  -0.583   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.285  -2.233   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.999  -1.820   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.714  -2.233   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.714  -3.058   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.999  -3.470   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.285  -3.058   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.643  -2.075   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.128  -1.408   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.643  -0.740   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.856   0.242   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.953  -1.408   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.366  -0.693   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       2.366  -2.122   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       3.191  -0.693   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.603   0.021   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.191   0.736   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.366   0.736   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.953   0.021   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1      -4.428  -3.470   0.000  1.00  0.00           F  
HETATM   26  C   UNL     1      -0.141   0.655   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.570   0.655   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.239   0.434   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.239  -0.391   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.856   1.067   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.603   1.450   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.191   2.165   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       4.428   1.450   0.000  1.00  0.00           O  
HETATM   34  N   UNL     1       3.526   2.918   0.000  1.00  0.00           N  
HETATM   35  N   UNL     1       2.913   3.470   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1       2.199   3.058   0.000  1.00  0.00           C  
HETATM   37  N   UNL     1       2.370   2.251   0.000  1.00  0.00           N  
HETATM   38  C   UNL     1       1.445   3.393   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    6   15                                            
CONECT    6    5    1   16                                            
CONECT    7    2    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   25                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    4   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14    5                                                 
CONECT   16    6   26   27   30                                       
CONECT   17   14   18   19                                            
CONECT   18   17   20   24                                            
CONECT   19   17                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   31                                            
CONECT   23   22   24                                                 
CONECT   24   23   18   28   29                                       
CONECT   25   10                                                      
CONECT   26   16                                                      
CONECT   27   16                                                      
CONECT   28   24                                                      
CONECT   29   24                                                      
CONECT   30   16                                                      
CONECT   31   22   32   33                                            
CONECT   32   31   34   37                                            
CONECT   33   31                                                      
CONECT   34   32   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37   38                                            
CONECT   37   36   32                                                 
CONECT   38   36                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D02SNQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.382   1.294   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.382   0.469   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.668   0.056   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.953   0.469   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.953   1.294   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.668   1.706   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.239   0.056   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.153  -0.764   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.346  -0.936   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.067  -0.221   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.485   0.392   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.766  -1.316   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.550  -1.061   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.163  -1.613   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.992  -2.420   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.207  -2.675   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.594  -2.123   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.887  -0.135   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.372  -0.802   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       1.223   0.619   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1       2.043   0.705   0.000  1.00  0.00           N  
HETATM   22 CL   UNL     1      -4.097   1.706   0.000  1.00  0.00          Cl  
HETATM   23 CL   UNL     1      -0.810  -2.378   0.000  1.00  0.00          Cl  
HETATM   24  O   UNL     1      -0.314   1.199   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       2.528   0.037   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.349   0.124   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.684   0.877   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.199   1.545   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.379   1.458   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.639   2.040   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -1.464   2.192   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -0.113   2.675   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       4.097   1.592   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       4.097   0.163   0.000  1.00  0.00           F  
CONECT    1    2    6   22                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   18                                            
CONECT   11   10    7   24                                            
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   23                                            
CONECT   18   10   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   21                                                 
CONECT   21   20   25   29                                            
CONECT   22    1                                                      
CONECT   23   17                                                      
CONECT   24   11   30                                                 
CONECT   25   21   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   33   34                                       
CONECT   28   27   29                                                 
CONECT   29   28   21                                                 
CONECT   30   24   31   32                                            
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   27                                                      
CONECT   34   27                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D02SPI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -1.238   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.429  -0.825   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.429   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.715   0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.000   0.000   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.715   1.238   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       0.715   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.429   0.000   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.429  -0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.143  -1.238   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.858  -0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.858   0.000   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.143   0.412   0.000  1.00  0.00           C  
HETATM   17 CL   UNL     1       2.143   1.238   0.000  1.00  0.00          Cl  
HETATM   18  O   UNL     1      -1.959   0.805   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.766   0.977   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   18                                            
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11   17                                            
CONECT   17   16                                                      
CONECT   18    6   19                                                 
CONECT   19   18                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D02SQQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.274   0.231   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.274  -0.594   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.560  -1.006   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.845  -0.594   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.845   0.231   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.560   0.644   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.059   0.486   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.544  -0.181   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -5.059  -0.849   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -5.314   1.271   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.121   1.442   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -6.673   0.829   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -7.480   1.001   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.032   0.388   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -7.735   1.785   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1      -2.131   0.644   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.416   0.231   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.702   0.644   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1      -1.416  -0.594   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       0.013   0.231   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       5.246   0.644   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       6.035   0.402   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       6.219  -0.402   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       7.008  -0.644   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       7.612  -0.082   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       7.428   0.722   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       6.639   0.964   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.615  -0.964   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.800  -1.768   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       6.588  -2.010   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       7.193  -1.448   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       8.032   1.284   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       7.847   2.088   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       7.058   2.330   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       6.454   1.768   0.000  1.00  0.00           C  
HETATM   36 CL   UNL     1       5.196  -2.330   0.000  1.00  0.00          Cl  
HETATM   37  C   UNL     1       0.727   0.644   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       1.442   0.231   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       2.156   0.644   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       2.871   0.231   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       3.585   0.644   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       4.300   0.231   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   16                                            
CONECT    6    5    1                                                 
CONECT    7    1    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    7   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16    5   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   20                                                 
CONECT   19   17                                                      
CONECT   20   18   37                                                 
CONECT   21   22   42                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24   28                                            
CONECT   24   23   25   31                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   32                                            
CONECT   27   26   22   35                                            
CONECT   28   23   29                                                 
CONECT   29   28   30   36                                            
CONECT   30   29   31                                                 
CONECT   31   30   24                                                 
CONECT   32   26   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   27                                                 
CONECT   36   29                                                      
CONECT   37   20   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41                                                 
CONECT   41   40   42                                                 
CONECT   42   41   21                                                 
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D02SYR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.968   1.871   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.968   1.046   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       3.683   0.634   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       4.397   1.046   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       4.397   1.871   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.683   2.284   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.683  -0.191   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       4.397  -0.604   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       5.112  -0.191   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       5.112   0.634   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.254   0.634   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.540   1.046   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.825   0.634   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.111   1.046   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.604   0.634   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.318   1.046   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.033   0.634   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.747   1.046   0.000  1.00  0.00           N  
HETATM   19  S   UNL     1      -3.462   0.634   0.000  1.00  0.00           S  
HETATM   20  O   UNL     1       0.825  -0.191   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.318   1.871   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.033  -0.191   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.318  -0.604   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.318  -1.429   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.604  -1.841   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.604  -2.666   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1      -4.176   0.221   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1      -3.049  -0.081   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.874   1.348   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.462   2.062   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.874   2.777   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.699   2.777   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.112   2.062   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.699   1.348   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.112   3.491   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1      -2.033  -1.841   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1      -0.604  -3.491   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.318  -3.079   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       0.111  -3.079   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       0.111   1.871   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    2   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   20                                            
CONECT   14   13   15   40                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   27   28   29                                       
CONECT   20   13                                                      
CONECT   21   16                                                      
CONECT   22   17   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   36                                            
CONECT   25   24   26                                                 
CONECT   26   25   37   38   39                                       
CONECT   27   19                                                      
CONECT   28   19                                                      
CONECT   29   19   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   35                                            
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   32                                                      
CONECT   36   24                                                      
CONECT   37   26                                                      
CONECT   38   26                                                      
CONECT   39   26                                                      
CONECT   40   14                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D02TIY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.501  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.786  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.786  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.357  -0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.357   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.072  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.786   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.501  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.215   0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.215   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.501   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.786   1.031   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
MASTER        0    0    0    0    0    0    0    0   16    0   16    0
END
M  END

$$$$
D02TOI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.088  -0.553   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.088  -1.378   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.374  -1.791   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.659  -1.378   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.659  -0.553   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.374  -0.141   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.803  -0.141   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.517  -0.553   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.517  -1.378   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.803  -1.791   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.803   0.684   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.517   1.097   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.232   0.684   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.232  -0.141   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.055  -1.791   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.770  -1.378   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.484  -1.791   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.199  -1.378   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.913  -1.791   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.628  -1.378   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.357  -2.505   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.468  -2.505   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       0.770  -0.553   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       4.342  -1.791   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.342  -1.378   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.101  -1.962   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.374   0.684   0.000  1.00  0.00           O  
HETATM   28  H   UNL     1      -4.232  -0.966   0.000  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.088   0.272   0.000  1.00  0.00           H  
HETATM   30  C   UNL     1      -3.517   1.922   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.934   2.505   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   15                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   27                                            
CONECT    7    1    8   11   29                                       
CONECT    8    7    9   14   28                                       
CONECT    9    8   10   25   26                                       
CONECT   10    9    2                                                 
CONECT   11    7   12                                                 
CONECT   12   11   13   30                                            
CONECT   13   14   12                                                 
CONECT   14   13    8                                                 
CONECT   15    4   16   21   22                                       
CONECT   16   15   17   23                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   24                                                 
CONECT   21   15                                                      
CONECT   22   15                                                      
CONECT   23   16                                                      
CONECT   24   20                                                      
CONECT   25    9                                                      
CONECT   26    9                                                      
CONECT   27    6                                                      
CONECT   28    8                                                      
CONECT   29    7                                                      
CONECT   30   12   31                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D02TPQ
  -OEChem-09301911212D

 57 60  0     1  0  0  0  0  0999 V2000
   13.9669    2.8748    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.3420    3.2066    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.7542    3.1302    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2656    1.7945    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.3026    1.3862    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3126    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -1.6786    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    0.0534    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7852    0.6870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4315    0.1489    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3126    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    8.1424   -2.6173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7260   -1.8126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3886    0.5613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7207    1.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0779   -0.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7422    1.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0994   -0.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3671    0.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4530   -0.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -1.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6777    1.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0349    0.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6562    1.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0099    2.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0134    0.2294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3241    1.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8026    0.0998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2471    1.6332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4894    1.8809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0985   -1.0089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6917   -0.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7216    1.7190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1284    1.1867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5730   -0.9231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3306   -1.1707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -0.3377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.3377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -2.2049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -2.8952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -3.2876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -3.2876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.3377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.3377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3350   -3.2066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8423   -0.5661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -1.7876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -1.7876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4275   -0.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
  2 32  1  0  0  0  0
  3 32  1  0  0  0  0
  4 32  1  0  0  0  0
  5 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7 35  1  0  0  0  0
  8 35  1  0  0  0  0
  9 22  2  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 22  1  0  0  0  0
 11 21  1  0  0  0  0
 11 24  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 12 53  1  0  0  0  0
 13 26  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 19  1  0  0  0  0
 14 36  1  0  0  0  0
 15 17  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 18  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 28  2  0  0  0  0
 19 29  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  2  0  0  0  0
 20 26  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 26  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 27 30  1  0  0  0  0
 27 51  1  0  0  0  0
 27 52  1  0  0  0  0
 28 31  1  0  0  0  0
 28 32  1  0  0  0  0
 29 33  2  0  0  0  0
 29 54  1  0  0  0  0
 30 35  1  0  0  0  0
 30 55  1  0  0  0  0
 30 56  1  0  0  0  0
 31 34  2  0  0  0  0
 33 34  1  0  0  0  0
 33 57  1  0  0  0  0
M  END

$$$$
D02TZT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.947   0.366   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.364   0.949   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.734  -0.431   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.937  -0.644   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.353  -0.061   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.567   0.736   0.000  1.00  0.00           C  
HETATM    7  H   UNL     1      -1.780   1.533   0.000  1.00  0.00           H  
HETATM    8  C   UNL     1      -0.984   1.319   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.187   1.106   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.397   1.689   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.183   2.486   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.614   2.699   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.197   2.116   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.852   0.323   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.440  -0.391   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.385  -0.391   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.852  -1.106   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       0.798  -1.106   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.623  -1.106   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.035  -0.391   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.623   0.323   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.798   0.323   0.000  1.00  0.00           C  
HETATM   23  S   UNL     1       0.584   1.120   0.000  1.00  0.00           S  
HETATM   24  C   UNL     1       0.997   1.835   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       0.584  -1.903   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       0.798  -2.699   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.738   1.684   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.553   1.555   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.682   0.741   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.860  -0.391   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       2.860  -1.213   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       3.682  -0.391   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       2.860   0.431   0.000  1.00  0.00           F  
CONECT    1    2    3   29                                            
CONECT    2    1    6    7   27                                       
CONECT    3    1    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    2    8   14                                       
CONECT    7    2                                                      
CONECT    8    6    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    6   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   18   22                                            
CONECT   17   15                                                      
CONECT   18   16   19   25                                            
CONECT   19   18   20                                                 
CONECT   20   30   19   21                                            
CONECT   21   20   22                                                 
CONECT   22   21   16   23                                            
CONECT   23   22   24                                                 
CONECT   24   23                                                      
CONECT   25   18   26                                                 
CONECT   26   25                                                      
CONECT   27    2   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28    1                                                 
CONECT   30   31   32   33   20                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D02UJS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858  -0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858  -1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -1.856   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429  -0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.715  -0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.143   0.616   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.572  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.572   0.619   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.287   1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.001   0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.001  -0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.287  -0.619   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.000  -0.619   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.000  -1.441   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       0.715  -0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.429  -0.619   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.143  -0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.143   0.619   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       1.429   1.031   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       0.715   0.619   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.429   1.856   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       0.000   1.031   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       2.858  -0.619   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       3.572  -0.206   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       4.287  -0.619   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.001  -0.206   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.001   0.619   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.287   1.031   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.572   0.619   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.287  -1.444   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       3.572  -1.856   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1       5.001  -1.856   0.000  1.00  0.00           O  
CONECT    1    2    6    9                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1    8                                            
CONECT    7    5   15                                                 
CONECT    8    6                                                      
CONECT    9    1   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    7   16   17                                            
CONECT   16   15                                                      
CONECT   17   15   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   25                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   17   24                                            
CONECT   23   21                                                      
CONECT   24   22                                                      
CONECT   25   19   26                                                 
CONECT   26   25   27   31                                            
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   27   33   34                                            
CONECT   33   32                                                      
CONECT   34   32                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D02UMS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   0.412   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.357  -1.238   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.357  -0.825   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.357   0.000   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.357   0.412   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.357   1.238   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.357   1.650   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.072   1.238   0.000  1.00  0.00           N  
HETATM   14  O   UNL     1       0.357   2.475   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.072  -1.238   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.072  -2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.786  -2.475   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.501  -2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.501  -1.238   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.786  -0.825   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1       0.357  -2.475   0.000  1.00  0.00          Cl  
HETATM   22  C   UNL     1       1.786   1.650   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.070   0.412   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   15                                            
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   22   23                                            
CONECT   14   12                                                      
CONECT   15    8   16   20                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   16                                                      
CONECT   22   13                                                      
CONECT   23   13                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D02UOD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.687   2.408   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.274   1.693   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.449   1.693   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.037   2.408   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.449   3.122   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.274   3.122   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.897   1.080   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.144   1.416   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.230   2.236   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.069   0.273   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.429   1.003   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.429   0.178   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.144  -0.234   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.144  -1.059   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.429  -1.472   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.715  -1.059   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.715  -0.234   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.429  -2.297   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.000   0.178   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.286  -0.234   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.429   0.178   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1      -0.286  -1.059   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.182  -0.157   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.734   0.456   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.322   1.170   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.515   0.999   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.437  -0.942   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.244  -1.114   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       2.796  -0.500   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       2.541   0.284   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.499  -1.898   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.296  -2.112   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.510  -2.909   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.307  -3.122   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.890  -2.539   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.676  -1.742   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.880  -1.528   0.000  1.00  0.00           C  
HETATM   38  F   UNL     1       5.687  -2.752   0.000  1.00  0.00           F  
HETATM   39  C   UNL     1       1.108   1.967   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       2.036   1.583   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8   10                                            
CONECT    8    7    9   11                                            
CONECT    9    8    4                                                 
CONECT   10    7                                                      
CONECT   11    8   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   19                                            
CONECT   18   15                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   23   26                                            
CONECT   22   20                                                      
CONECT   23   21   24   27                                            
CONECT   24   23   25   30                                            
CONECT   25   24   26   39   40                                       
CONECT   26   25   21                                                 
CONECT   27   23   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   24                                                 
CONECT   31   28   32                                                 
CONECT   32   31   33   37                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36   38                                            
CONECT   36   35   37                                                 
CONECT   37   36   32                                                 
CONECT   38   35                                                      
CONECT   39   25                                                      
CONECT   40   25                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D02URA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.429  -0.619   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.715  -1.031   0.000  1.00  0.00           N  
HETATM    4  CA  UNL     1       0.000  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.000   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.715   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.715  -1.031   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       0.715  -1.856   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.715   1.444   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       0.000   1.856   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1      -1.429   1.856   0.000  1.00  0.00           O  
HETATM   12  OXT UNL     1       1.429  -0.619   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    9                                            
CONECT    7    4    8   12                                            
CONECT    8    7                                                      
CONECT    9    6   10   11                                            
CONECT   10    9                                                      
CONECT   11    9                                                      
CONECT   12    7                                                      
MASTER        0    0    0    0    0    0    0    0   12    0   12    0
END
M  END

$$$$
D02USE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.718   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.718  -0.619   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.003  -1.031   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.289  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.289   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.003   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.502   0.461   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -5.987  -0.206   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -5.502  -0.874   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -5.756   1.243   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.577   0.617   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.862   0.205   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.148   0.617   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.148   1.442   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.862   1.855   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.577   1.442   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.436   1.853   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.279   1.441   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       0.279   0.616   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.436   0.203   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.436  -0.622   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.279  -1.034   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       0.993  -0.622   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       0.993   0.203   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.705   0.615   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       2.417   0.203   0.000  1.00  0.00           N  
HETATM   27  O   UNL     1       1.705   1.437   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       3.132   0.616   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.846   0.203   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.846  -0.622   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.561  -1.034   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.275  -0.622   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       5.275   0.203   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.561   0.616   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1       5.987   0.615   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1       5.987  -1.033   0.000  1.00  0.00           F  
HETATM   37  C   UNL     1       3.132   1.441   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       0.278  -1.855   0.000  1.00  0.00           C  
HETATM   39  N   UNL     1      -0.544  -1.855   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    1    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    7                                                      
CONECT   11    5   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   38                                            
CONECT   23   22   24                                                 
CONECT   24   23   19   25                                            
CONECT   25   24   26   27                                            
CONECT   26   25   28                                                 
CONECT   27   25                                                      
CONECT   28   26   29   37                                            
CONECT   29   28   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   36                                            
CONECT   33   32   34   35                                            
CONECT   34   33   29                                                 
CONECT   35   33                                                      
CONECT   36   32                                                      
CONECT   37   28                                                      
CONECT   38   22   39                                                 
CONECT   39   38                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END

$$$$

$$$$

$$$$
D02UTG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.769   0.613   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.057   0.202   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.481   0.202   0.000  1.00  0.00           C  
HETATM    4 AU   UNL     1       0.057  -0.621   0.000  1.00  0.00          Au  
HETATM    5 AU   UNL     1       1.481  -0.621   0.000  1.00  0.00          Au  
HETATM    6  C   UNL     1      -0.156   0.996   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.765   0.202   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.694   0.996   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.303   0.202   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.354  -1.333   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.892  -1.333   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.172  -1.419   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.343  -2.223   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.630  -2.634   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.020  -2.084   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1       1.558  -2.084   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       2.169  -2.634   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.881  -2.223   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.710  -1.419   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       0.692  -1.673   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.518   1.467   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.446   2.286   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.299   2.634   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.972   2.162   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.901   1.343   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.046   0.974   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.856   1.117   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.384   0.487   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.103  -0.285   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.294  -0.428   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.367   1.467   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.296   2.286   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.551   2.634   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       0.877   2.162   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       0.949   1.343   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.832  -0.428   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.641  -0.285   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       3.922   0.487   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       3.394   1.117   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       2.584   0.974   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       3.447   1.332   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       3.660   0.538   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       3.078  -0.043   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       3.291  -0.837   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1      -3.922  -0.681   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1      -3.128  -0.469   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1      -2.547  -1.050   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1      -1.753  -0.837   0.000  1.00  0.00           C  
CONECT    1    2    3                                                 
CONECT    2    1    4    6    7                                       
CONECT    3    1    5    8    9                                       
CONECT    4    2    5   10                                            
CONECT    5    3    4   11                                            
CONECT    6    2   21   25                                            
CONECT    7    2   26   30                                            
CONECT    8    3   31   35                                            
CONECT    9    3   36   40                                            
CONECT   10    4   12   15                                            
CONECT   11    5   16   19                                            
CONECT   12   48   10   13                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10   20                                            
CONECT   16   11   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   44   18   11                                            
CONECT   20   15   16                                                 
CONECT   21    6   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24    6                                                 
CONECT   26    7   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29    7                                                 
CONECT   31    8   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34    8                                                 
CONECT   36    9   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39    9                                                 
CONECT   41   42                                                      
CONECT   42   43   41                                                 
CONECT   43   44   42                                                 
CONECT   44   43   19                                                 
CONECT   45   46                                                      
CONECT   46   47   45                                                 
CONECT   47   48   46                                                 
CONECT   48   47   12                                                 
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
M  END

$$$$
D02VDD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.635  -0.165   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.635  -0.990   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       2.350  -1.403   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       3.064  -0.990   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       3.064  -0.165   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.350   0.247   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.921   0.247   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.206  -0.165   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.206  -0.990   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.921  -1.403   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.508   0.247   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.223  -0.165   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.508  -1.403   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.223  -0.990   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.937  -1.403   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.652  -0.990   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.366  -1.403   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -4.081  -0.990   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.795  -1.403   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.795  -2.228   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.081  -2.640   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.366  -2.228   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.510  -2.640   0.000  1.00  0.00           C  
HETATM   24  H   UNL     1      -4.926  -3.223   0.000  1.00  0.00           H  
HETATM   25  H   UNL     1      -5.723  -3.437   0.000  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.922  -1.926   0.000  1.00  0.00           H  
HETATM   27  N   UNL     1       2.350   1.073   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       3.064   1.485   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.779   1.073   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.493   1.485   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.493   2.310   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.779   2.723   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.064   2.310   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.350   2.723   0.000  1.00  0.00           C  
HETATM   35 CL   UNL     1       5.207   2.723   0.000  1.00  0.00          Cl  
HETATM   36  O   UNL     1       5.207   1.073   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1       5.922   1.485   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       1.937   3.437   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       1.525   2.723   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       3.776   0.247   0.000  1.00  0.00           C  
HETATM   41  N   UNL     1       4.601   0.247   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   40                                            
CONECT    6    5    1   27                                            
CONECT    7    1    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10   13                                            
CONECT   10    9    2                                                 
CONECT   11    8   12                                                 
CONECT   12   11                                                      
CONECT   13    9   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   20   24   25   26                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23                                                      
CONECT   27    6   28                                                 
CONECT   28   27   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31   36                                            
CONECT   31   30   32   35                                            
CONECT   32   31   33                                                 
CONECT   33   32   28   34                                            
CONECT   34   33   38   39                                            
CONECT   35   31                                                      
CONECT   36   30   37                                                 
CONECT   37   36                                                      
CONECT   38   34   39                                                 
CONECT   39   38   34                                                 
CONECT   40    5   41                                                 
CONECT   41   40                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D02VGC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.439  -1.581   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.856  -2.165   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.059  -1.951   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.845  -1.154   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.429  -0.571   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.226  -0.784   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -4.236  -1.795   0.000  1.00  0.00           F  
HETATM    8  F   UNL     1      -1.049  -0.941   0.000  1.00  0.00           F  
HETATM    9  C   UNL     1      -3.809  -0.201   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.596   0.596   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.825   0.891   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.869   1.715   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.665   1.929   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -4.115   1.237   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.090   0.517   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.398   0.966   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.442   1.790   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.177   2.165   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.663   0.592   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       0.029   1.041   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.799   0.745   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1       1.318   1.387   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       0.869   2.078   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.072   1.865   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.142   1.343   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.591   2.035   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.415   1.992   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       4.236   1.949   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    9                                            
CONECT    7    1                                                      
CONECT    8    4                                                      
CONECT    9    6   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12   15                                            
CONECT   12   11   13   18                                            
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   12                                                 
CONECT   19   16   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   20                                                 
CONECT   25   22   26                                                 
CONECT   26   27   25                                                 
CONECT   27   28   26                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D02VIR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.052  -0.736   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.052  -1.561   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.663  -1.974   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.377  -1.561   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.377  -0.736   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.663  -0.324   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.092  -1.974   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.806  -1.561   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.806  -0.736   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       2.092  -0.324   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1      -0.766  -0.324   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.766   0.501   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       3.521  -0.324   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1      -1.179   1.216   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.977   1.006   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.770   1.216   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.358   0.501   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.635   0.754   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.560   1.590   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.560   1.974   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.521   1.141   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1      -3.155   0.715   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.972   1.425   0.000  1.00  0.00           O  
CONECT    1    2    6   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9    5                                                 
CONECT   11    1   12                                                 
CONECT   12   11   14   18                                            
CONECT   13    9                                                      
CONECT   14   12   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17   21                                            
CONECT   17   16   22   18                                            
CONECT   18   23   17   12                                            
CONECT   19   15   20                                                 
CONECT   20   19                                                      
CONECT   21   16                                                      
CONECT   22   17                                                      
CONECT   23   18                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D02VTV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -5.258  -2.334   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.543  -1.922   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.829  -2.334   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.381  -1.922   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.381  -1.097   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.095  -0.685   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -7.809  -1.097   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -7.809  -1.922   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.095  -2.334   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.666  -0.685   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.666   0.140   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.381   0.553   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.095   0.140   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.114  -1.922   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.289  -1.922   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.071  -1.126   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.478  -0.553   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.289  -0.553   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.507  -1.349   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.764  -0.140   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.050  -0.553   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       0.665  -0.140   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.379  -0.553   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.094  -0.140   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.094   0.685   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.379   1.097   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.665   0.685   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       2.808  -0.553   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       3.523  -0.140   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       3.523   0.685   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       2.808   1.097   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       2.808   1.922   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       3.523   2.334   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.237   1.922   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.237   1.097   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.952   0.684   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       5.666   1.097   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       5.666   1.922   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       4.952   2.334   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       6.381   0.684   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       6.381  -0.141   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       7.095  -0.553   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       7.809  -0.141   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       7.809   0.684   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1       7.095   1.097   0.000  1.00  0.00           C  
CONECT    1    2    4                                                 
CONECT    2    1    3                                                 
CONECT    3    2   14                                                 
CONECT    4    1    5    9                                            
CONECT    5    4    6   10                                            
CONECT    6    5    7   13                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    4                                                 
CONECT   10    5   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    6                                                 
CONECT   14    3   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25   28                                            
CONECT   25   24   26   31                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   24   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   25   32                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   39                                            
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38   40                                            
CONECT   38   37   39                                                 
CONECT   39   38   34                                                 
CONECT   40   37   41   45                                            
CONECT   41   40   42                                                 
CONECT   42   41   43                                                 
CONECT   43   42   44                                                 
CONECT   44   43   45                                                 
CONECT   45   44   40                                                 
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
M  END

$$$$
D02VYR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.331   1.507   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.331   0.682   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.454   0.427   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.939   1.095   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.454   1.762   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.046   1.920   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.760   1.507   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.760   0.682   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.046   0.270   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.709   2.547   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.922   3.344   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.667  -0.370   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.084  -0.953   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.297  -1.750   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.094  -1.963   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.677  -1.380   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.464  -0.583   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.308  -2.760   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       2.105  -2.974   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1       0.724  -3.344   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1       2.474  -1.594   0.000  1.00  0.00           O  
HETATM   22  H   UNL     1      -2.474   1.920   0.000  1.00  0.00           H  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   12                                            
CONECT    4    3    5                                                 
CONECT    5    4    1   10                                            
CONECT    6    1    7                                                 
CONECT    7    6    8   22                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    5   11                                                 
CONECT   11   10                                                      
CONECT   12    3   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17   21                                            
CONECT   17   16   12                                                 
CONECT   18   15   19   20                                            
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   16                                                      
CONECT   22    7                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D02WJB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.000   0.000   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.825   0.000   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.825   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.000  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.715  -1.238   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.715  -2.062   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.000  -2.475   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.715  -2.062   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.715  -1.238   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.238   0.715   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.062   0.715   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.475   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.062  -0.715   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.238  -0.715   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.715   1.238   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.715   2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.000   2.475   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.715   2.062   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.715   1.238   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.238  -0.715   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.062  -0.715   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.475   0.000   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.062   0.715   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.238   0.715   0.000  1.00  0.00           C  
CONECT    1    2    3    4    5                                       
CONECT    2    1   21   25                                            
CONECT    3    1   11   15                                            
CONECT    4    1   16   20                                            
CONECT    5    1    6   10                                            
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    3   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    3                                                 
CONECT   16    4   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19    4                                                 
CONECT   21    2   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24    2                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D02WOW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.308  -0.826   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.308  -1.651   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.593  -2.064   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.879  -1.651   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.879  -0.826   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.593  -0.414   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.164  -2.064   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.450  -1.651   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.450  -0.826   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.164  -0.414   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.265  -0.414   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.265   0.411   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.450   0.824   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.164   0.411   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.049  -0.669   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.534  -0.001   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.049   0.666   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.022  -2.064   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.879  -0.001   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.265   1.236   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.304   1.451   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.111   1.622   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       0.752   2.064   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       2.663   1.009   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       3.470   1.181   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.022   0.568   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       3.725   1.965   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       2.359  -0.001   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1       2.359  -0.823   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1       3.181  -0.001   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1       2.359   0.821   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10   19                                       
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12   15                                            
CONECT   12   11   13   17   20                                       
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   28   15   17                                            
CONECT   17   16   12   21                                            
CONECT   18    2                                                      
CONECT   19    5                                                      
CONECT   20   12                                                      
CONECT   21   17   22   23                                            
CONECT   22   21   24                                                 
CONECT   23   21                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   29   30   31   16                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END

$$$$

$$$$

$$$$
D02WVW
  -OEChem-09301911202D

 64 66  0     1  0  0  0  0  0999 V2000
    2.8660   -1.4855    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -2.3515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -0.6194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8549    1.1837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5145    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1808    0.8509    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2672    1.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -0.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0762   -0.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5788    2.3718    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7788    1.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6728    2.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5788    1.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    2.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6728    0.8163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    2.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4429    2.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    2.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3109    2.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1750    2.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0429    2.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9070    2.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7750    2.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1483    1.4701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5772    1.7946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7656    1.6221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5317   -0.6037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2897   -0.9412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1410   -0.7602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962   -0.1436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.5971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.0931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1164    2.0628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9838    1.7901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2653    0.9921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0664    3.3646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2682    3.3554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7879    0.7464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1897    1.4362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.2309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2682    0.3465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0664    0.3373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5098    2.6609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8396    3.3516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0426    3.3485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    3.4709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9142    1.9020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7112    1.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5717    3.3582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7746    3.3552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6462    1.9086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4433    1.9117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3037    3.3649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5066    3.3618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0560   -2.8884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4670    1.8536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3131    2.0838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0829    2.9299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2 13  1  0  0  0  0
  3 60  1  0  0  0  0
  4 61  1  0  0  0  0
  7  6  1  6  0  0  0
  6 39  1  0  0  0  0
  6 40  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  6  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 19  2  0  0  0  0
 12 21  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 22  1  6  0  0  0
 14 38  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 18  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 20  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 23  1  0  0  0  0
 19 45  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 23  2  0  0  0  0
 21 48  1  0  0  0  0
 22 24  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 25  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
 25 26  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 26 27  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
 27 28  1  0  0  0  0
 27 58  1  0  0  0  0
 27 59  1  0  0  0  0
 28 62  1  0  0  0  0
 28 63  1  0  0  0  0
 28 64  1  0  0  0  0
M  END

$$$$
D02WXS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.981   0.674   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.981  -0.151   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.267  -0.564   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.448  -0.151   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.448   0.674   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.267   1.087   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.162   1.087   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.987   1.087   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       2.400   0.372   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.575   1.801   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.696  -0.564   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       3.125   0.765   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.828   0.333   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       3.805  -0.492   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1       4.554   0.725   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.410  -0.151   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.125  -0.564   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.839  -0.151   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.554  -0.564   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.554  -1.389   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.839  -1.801   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.125  -1.389   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   10                                            
CONECT    8    7    9   10                                            
CONECT    9    8   12                                                 
CONECT   10    8    7                                                 
CONECT   11    2   16                                                 
CONECT   12    9   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   11   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END

$$$$

$$$$
D02XAR
  -OEChem-09301911292D

 63 66  0     1  0  0  0  0  0999 V2000
    7.1962   -0.1123    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962    0.7537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962   -0.9784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.8877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4641   -0.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    1.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    2.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    1.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    2.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    3.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0183    1.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0183    3.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9244    1.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9244    2.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    0.7800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    1.4703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -1.0873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -1.0873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    1.8626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    1.8626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.0047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.6949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    1.4703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.7800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    0.3626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    0.3626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.8023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.7323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    1.6977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.4223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.0777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.5077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278    0.9127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248    0.9127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    0.7677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8554    3.1977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    4.0077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0111    0.7330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0111    4.0423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4601    1.5548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4601    3.2205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  8  1  0  0  0  0
  1 18  1  0  0  0  0
  2 17  2  0  0  0  0
  5  9  1  0  0  0  0
  5 52  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 48  1  0  0  0  0
  9 17  1  0  0  0  0
  9 49  1  0  0  0  0
 10 12  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 13  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 14  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 15 45  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 50  1  0  0  0  0
 20 22  2  0  0  0  0
 20 51  1  0  0  0  0
 21 23  2  0  0  0  0
 21 53  1  0  0  0  0
 22 23  1  0  0  0  0
 22 54  1  0  0  0  0
 24 25  1  0  0  0  0
 24 55  1  0  0  0  0
 24 56  1  0  0  0  0
 25 28  2  0  0  0  0
 25 29  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 31  2  0  0  0  0
 27 30  1  0  0  0  0
 27 32  2  0  0  0  0
 28 57  1  0  0  0  0
 29 30  2  0  0  0  0
 29 58  1  0  0  0  0
 30 59  1  0  0  0  0
 31 33  1  0  0  0  0
 31 60  1  0  0  0  0
 32 34  1  0  0  0  0
 32 61  1  0  0  0  0
 33 34  2  0  0  0  0
 33 62  1  0  0  0  0
 34 63  1  0  0  0  0
M  END

$$$$
D02XQE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.598  -0.376   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.773  -0.376   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.360   0.339   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.773   1.053   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.598   1.053   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.010   0.339   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.221  -0.989   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.467  -0.653   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.553   0.167   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.135  -1.809   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.328  -1.981   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.085  -1.266   0.000  1.00  0.00           C  
HETATM   13  F   UNL     1      -1.190   1.637   0.000  1.00  0.00           F  
HETATM   14  C   UNL     1       0.161   0.580   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.906   0.224   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.586   0.691   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.330   0.336   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.010   0.803   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.946   1.625   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.202   1.981   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.521   1.514   0.000  1.00  0.00           C  
HETATM   22  F   UNL     1       0.970  -0.598   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5   13                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8   10                                            
CONECT    8    7    9   12                                            
CONECT    9    8    3   14                                            
CONECT   10    7   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    8                                                 
CONECT   13    4                                                      
CONECT   14    9   15                                                 
CONECT   15   14   16   22                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   15                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D02XVC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.283  -1.595   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.283  -2.420   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.569  -2.832   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.855  -2.420   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.855  -1.595   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.569  -1.182   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.998  -1.182   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.140  -1.182   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       0.575  -1.595   0.000  1.00  0.00           O  
HETATM   10 BR   UNL     1      -1.569  -0.357   0.000  1.00  0.00          Br  
HETATM   11  C   UNL     1      -2.998  -0.357   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.712   0.055   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.427  -0.357   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.427  -1.182   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.712  -1.595   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.289  -1.182   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.003  -1.595   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.718  -1.182   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.718  -0.357   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.003   0.055   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.289  -0.357   0.000  1.00  0.00           C  
HETATM   22 CL   UNL     1       2.003  -2.420   0.000  1.00  0.00          Cl  
HETATM   23  C   UNL     1       3.432   0.055   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       4.147  -0.357   0.000  1.00  0.00           N  
HETATM   25  O   UNL     1       2.003   0.880   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       1.289   1.293   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.289   2.118   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.701   2.832   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.876   2.832   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.233  -1.178   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.040  -1.349   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.452  -0.635   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.901  -0.022   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       5.376  -2.103   0.000  1.00  0.00           O  
HETATM   35  O   UNL     1      -5.141   0.055   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1      -5.856  -0.357   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.856  -1.182   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1      -5.141  -1.595   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1       5.272   0.562   0.000  1.00  0.00           C  
HETATM   40  O   UNL     1       5.856  -0.021   0.000  1.00  0.00           O  
HETATM   41  O   UNL     1       4.488   0.307   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1   10                                            
CONECT    7    1   11   15                                            
CONECT    8    5    9                                                 
CONECT    9    8   16                                                 
CONECT   10    6                                                      
CONECT   11    7   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   35                                            
CONECT   14   13   15   38                                            
CONECT   15   14    7                                                 
CONECT   16    9   17   21                                            
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21   25                                            
CONECT   21   20   16                                                 
CONECT   22   17                                                      
CONECT   23   19   24                                                 
CONECT   24   23   30   33                                            
CONECT   25   20   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   29                                                 
CONECT   29   28   27                                                 
CONECT   30   24   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   24   39                                            
CONECT   34   31                                                      
CONECT   35   13   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   14                                                 
CONECT   39   33   40   41                                            
CONECT   40   39                                                      
CONECT   41   39                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D02XYT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.299   0.524   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.299  -0.301   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.416  -0.714   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.130  -0.301   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.130   0.524   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.416   0.936   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.013   0.936   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.013  -0.714   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.013   1.761   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.728   2.174   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.442   1.761   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.442   0.936   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.728   0.524   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.728  -0.301   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.442  -0.714   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.442  -1.539   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.728  -1.951   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.013  -1.539   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.915  -0.556   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       2.400   0.111   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.915   0.778   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.170   1.563   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.586   2.147   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.790   1.933   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       1.800   2.943   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1       0.206   2.516   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       3.225   0.111   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.637  -0.603   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       3.637   0.826   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       4.462  -0.603   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.225  -1.318   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.050  -1.318   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.157  -1.951   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1      -3.910  -1.616   0.000  1.00  0.00           N  
HETATM   35  O   UNL     1      -4.462  -2.229   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1      -4.050  -2.943   0.000  1.00  0.00           C  
HETATM   37  N   UNL     1      -3.243  -2.772   0.000  1.00  0.00           N  
HETATM   38 CL   UNL     1      -3.157   2.174   0.000  1.00  0.00          Cl  
HETATM   39 CL   UNL     1      -0.299  -1.951   0.000  1.00  0.00          Cl  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   19                                            
CONECT    5    4    6   21                                            
CONECT    6    5    1                                                 
CONECT    7    1    9   13                                            
CONECT    8    2   14   18                                            
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   38                                            
CONECT   12   11   13                                                 
CONECT   13   12    7                                                 
CONECT   14    8   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   33                                            
CONECT   17   16   18                                                 
CONECT   18   17    8   39                                            
CONECT   19    4   20                                                 
CONECT   20   19   21   27                                            
CONECT   21   20    5   22                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   26                                                 
CONECT   25   23                                                      
CONECT   26   24                                                      
CONECT   27   20   28   29                                            
CONECT   28   27   30   31   32                                       
CONECT   29   27                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
CONECT   32   28                                                      
CONECT   33   16   34   37                                            
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   33                                                 
CONECT   38   11                                                      
CONECT   39   18                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D02YCN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   0.704   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -0.121   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -0.533   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -0.121   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072   0.704   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   1.117   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.357   1.117   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.357   0.704   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.357  -0.121   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.072  -0.533   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.786  -0.121   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.786   0.704   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.072   1.117   0.000  1.00  0.00           C  
HETATM   14  S   UNL     1       2.501  -0.533   0.000  1.00  0.00           S  
HETATM   15  C   UNL     1       3.215  -0.121   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.930  -0.533   0.000  1.00  0.00           C  
HETATM   17  S   UNL     1       4.644  -0.946   0.000  1.00  0.00           S  
HETATM   18  C   UNL     1       4.644  -0.121   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.917  -1.117   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1       3.084  -1.117   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.215   1.117   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.930   0.704   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.644   1.117   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1      -3.930  -0.121   0.000  1.00  0.00           O  
CONECT    1    2    6   21                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15   19   20                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   18                                                 
CONECT   18   17   16                                                 
CONECT   19   14                                                      
CONECT   20   14                                                      
CONECT   21    1   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22                                                      
CONECT   24   22                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D02YDG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.062  -0.357   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.650  -1.072   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.825  -1.072   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.412  -0.357   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.825   0.357   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.650   0.357   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.412  -0.357   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.825   0.357   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.825  -1.072   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.650  -1.072   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.062  -1.786   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.888  -1.786   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.300  -1.072   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.888  -0.357   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.062  -0.357   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.125  -1.072   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       4.537  -1.786   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       4.537  -0.357   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       4.125   0.357   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1      -2.888  -0.357   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.300   0.357   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.125   0.357   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.537  -0.357   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.125  -1.072   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.300  -1.072   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       1.650   0.357   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.062   1.072   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.650   1.786   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.825   1.786   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.412   1.072   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.888   1.072   0.000  1.00  0.00           C  
CONECT    1    2    6   20                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   26   30                                            
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18                                                      
CONECT   20    1   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26    8   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29    8                                                 
CONECT   31   27                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D02YGX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.322   0.721   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.322  -0.104   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.608  -0.516   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.894  -0.104   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.894   0.721   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.608   1.134   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.179  -0.516   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.465  -0.104   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.750  -0.516   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.664  -1.337   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1       0.143  -1.508   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.556  -0.794   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.004  -0.181   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1       1.376  -0.707   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.861  -1.375   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.681  -1.289   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.166  -1.956   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.987  -1.870   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.322  -1.116   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.838  -0.449   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.017  -0.535   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.179   1.134   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.179   1.956   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       2.532   0.133   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       1.714   0.047   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5   22    4    6                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    9                                                 
CONECT   14   12   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   24   20   16                                            
CONECT   22   23    5                                                 
CONECT   23   22                                                      
CONECT   24   25   21                                                 
CONECT   25   24                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D02YLT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.223  -0.672   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.398  -0.672   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.985   0.043   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.398   0.757   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.223   0.757   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.635   0.043   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.775   1.370   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -3.528   1.035   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.442   0.214   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.603   2.177   0.000  1.00  0.00           C  
HETATM   11  F   UNL     1      -0.985   1.472   0.000  1.00  0.00           F  
HETATM   12  C   UNL     1      -0.160   0.043   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.160  -0.782   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.625  -1.037   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.109  -0.370   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.625   0.298   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.323   0.427   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       0.740   1.010   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.935  -0.370   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.148  -1.167   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.945  -1.380   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.528  -0.797   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.315   0.000   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.518   0.213   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.565  -1.750   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1       3.158  -2.177   0.000  1.00  0.00           F  
HETATM   27  N   UNL     1       1.904   0.060   0.000  1.00  0.00           N  
HETATM   28  O   UNL     1       1.320   0.643   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   12                                            
CONECT    4    3    5   11                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1    9                                            
CONECT    7    5    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    6                                                 
CONECT   10    7                                                      
CONECT   11    4                                                      
CONECT   12    3   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17   19                                       
CONECT   16   15   12                                                 
CONECT   17   15   18   27                                            
CONECT   18   17                                                      
CONECT   19   15   20   24                                            
CONECT   20   19   21   25                                            
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   20                                                      
CONECT   26   21                                                      
CONECT   27   17   28                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D02YNU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429   0.619   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.429  -1.856   0.000  1.00  0.00           O  
HETATM    8  N   UNL     1       0.000   0.619   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.715   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.429   0.619   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       0.715  -0.619   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       2.143   0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.858   0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.858   1.444   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.143   1.856   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.429   1.444   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       0.715   1.856   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.429   1.444   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.858  -0.206   0.000  1.00  0.00           O  
CONECT    1    2    6   19                                            
CONECT    2    1    3   19                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1   18                                            
CONECT    7    3                                                      
CONECT    8    5    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   12   16                                            
CONECT   11    9                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   10   17                                            
CONECT   17   16                                                      
CONECT   18    6                                                      
CONECT   19    1    2                                                 
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D02YUQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.878  -3.968   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.465  -4.682   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.640  -4.682   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.228  -3.968   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.640  -3.253   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.465  -3.253   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.228  -5.397   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.640  -6.111   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.228  -2.539   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.878  -2.539   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.465  -1.824   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.878  -1.110   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.465  -0.395   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.703  -1.110   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.640  -0.395   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.385   0.389   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1      -1.053   0.874   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.720   0.389   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.053   1.699   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.338   2.112   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.376   1.699   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.091   2.112   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.091   2.937   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.376   3.349   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.338   2.937   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.805   3.349   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       1.805   4.174   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       2.473   4.659   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.218   5.444   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.393   5.444   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       1.138   4.659   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       2.703   6.111   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    3    8                                                 
CONECT    8    7                                                      
CONECT    9    5                                                      
CONECT   10    6   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   15   18                                            
CONECT   14   12                                                      
CONECT   15   13   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   13                                                 
CONECT   19   17   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   27                                                 
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D02ZHC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.352   1.583   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.638   1.170   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.638   0.345   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.352  -0.067   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.352  -0.892   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.638  -1.305   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.923  -0.892   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.923  -0.067   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.638  -2.130   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.209   0.345   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.494  -0.067   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.220   0.345   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1      -0.494  -0.892   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.974   0.010   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.526   0.623   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.113   1.337   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.306   1.166   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.229  -0.775   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.036  -0.947   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.588  -0.334   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.333   0.451   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.291  -1.731   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.088  -1.945   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.301  -2.742   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.098  -2.955   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.681  -2.372   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.468  -1.575   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.671  -1.361   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1       5.478  -2.585   0.000  1.00  0.00           F  
HETATM   30  C   UNL     1       0.900   2.134   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.828   1.750   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.438   2.403   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.245   2.575   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.658   1.860   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1      -4.106   1.247   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1      -5.478   1.774   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.825   2.955   0.000  1.00  0.00           C  
CONECT    1    2   32   35                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7    9                                            
CONECT    7    6    8                                                 
CONECT    8    7    3   10                                            
CONECT    9    6                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11   14   17                                            
CONECT   13   11                                                      
CONECT   14   12   15   18                                            
CONECT   15   14   16   21                                            
CONECT   16   15   17   30   31                                       
CONECT   17   16   12                                                 
CONECT   18   14   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   15                                                 
CONECT   22   19   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   26                                                      
CONECT   30   16                                                      
CONECT   31   16                                                      
CONECT   32    1   33   37                                            
CONECT   33   32   34                                                 
CONECT   34   33   35   36                                            
CONECT   35   34    1                                                 
CONECT   36   34                                                      
CONECT   37   32                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D02ZPG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.072   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.072   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       2.501   0.206   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.501   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.786   1.443   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.215  -0.206   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       3.929   0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       4.644  -0.206   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       3.215  -1.031   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1       4.644  -1.031   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1       5.358  -1.443   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       6.072  -1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       6.072  -0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       5.358   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.358   1.443   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.357   1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.071   1.443   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.786   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.071  -0.207   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.357   0.206   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.500   1.443   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.214   1.031   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.929   1.443   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.643   1.031   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.358   1.443   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.072   1.031   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.072   0.206   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.358  -0.207   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.643   0.206   0.000  1.00  0.00           C  
CONECT    1    2    6   16                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8   11   15                                            
CONECT   10    7                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    9                                                 
CONECT   16    1   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   19   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D02ZQN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.568   1.670   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.568   0.845   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.853   0.433   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.139   0.845   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.139   1.670   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.853   2.083   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.682  -0.374   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.861  -0.460   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.526   0.293   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.282   0.433   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.582   0.594   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.134  -0.019   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.963  -0.826   0.000  1.00  0.00           N  
HETATM   14  O   UNL     1       1.677  -1.239   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       2.290  -0.687   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.955   0.067   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.097  -0.858   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.352  -1.643   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.159  -1.814   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.711  -1.201   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.456  -0.417   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.649  -0.245   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.997   0.845   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.711   0.433   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.711  -0.392   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.997  -0.805   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.282  -0.392   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.997  -1.630   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.282  -2.042   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.568  -1.630   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.568  -0.805   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.511  -1.367   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       0.314  -1.367   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1      -0.925  -2.083   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9   32                                            
CONECT    9    8    4   11                                            
CONECT   10    2   23   27                                            
CONECT   11    9   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   12                                                 
CONECT   17   15   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   10   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   10   31                                            
CONECT   28   26   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   27                                                 
CONECT   32    8   33   34                                            
CONECT   33   32                                                      
CONECT   34   32                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END

$$$$

$$$$

$$$$
D02ZUW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.785   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.785   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.070  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.356   0.206   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.356   1.031   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.070   1.444   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.499  -0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.358   1.444   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       1.073   1.031   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1       0.358   2.269   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.787   1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.502   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.216   1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.216   2.269   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.502   2.681   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.787   2.269   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.214   0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.499  -1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.214   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.928   1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.643   1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.643   0.206   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.928  -0.206   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.214  -1.444   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.214  -2.269   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.499  -2.681   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.785  -2.269   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.785  -1.444   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.931   1.031   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       4.643   0.620   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2   17   18                                            
CONECT    8    5    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   29   12   14                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    7   19   23                                            
CONECT   18    7   24   28                                            
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   17                                                 
CONECT   24   18   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   18                                                 
CONECT   29   30   13                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D02ZVY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.112   2.406   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.112   1.581   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.398   1.169   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.683   1.581   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.683   2.406   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.398   2.819   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.969   1.169   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.883   0.348   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.076   0.177   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.663   0.891   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.215   1.504   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.496  -0.204   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.280   0.051   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.893  -0.501   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.722  -1.308   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.937  -1.563   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.324  -1.011   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -4.827   2.819   0.000  1.00  0.00          Cl  
HETATM   19  C   UNL     1       0.144   1.063   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.399   1.847   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.153   2.460   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.960   2.289   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1       0.696   0.450   0.000  1.00  0.00           N  
HETATM   24 CL   UNL     1      -1.540  -1.266   0.000  1.00  0.00          Cl  
HETATM   25  C   UNL     1       0.441  -0.335   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.993  -0.948   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.800  -0.777   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.055   0.008   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.503   0.621   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       2.352  -1.390   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       3.177  -1.390   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       3.589  -0.675   0.000  1.00  0.00           O  
HETATM   33  O   UNL     1       3.589  -2.104   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1       4.414  -2.104   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.827  -2.819   0.000  1.00  0.00           C  
CONECT    1    2    6   18                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   19                                            
CONECT   11   10    7   22                                            
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   24                                            
CONECT   18    1                                                      
CONECT   19   10   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   11                                                 
CONECT   23   19   25   29                                            
CONECT   24   17                                                      
CONECT   25   23   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   23                                                 
CONECT   30   27   31                                                 
CONECT   31   30   32   33                                            
CONECT   32   31                                                      
CONECT   33   31   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D03AOX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.820   0.423   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.408  -0.291   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.583  -0.291   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.170   0.423   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.583   1.138   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.408   1.138   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.345   0.423   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.170   1.852   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.345   1.852   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.933   1.138   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.108   1.138   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.305   1.852   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.108   2.567   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.933   2.567   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.130   1.852   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.615   1.185   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       2.399   1.440   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.399   2.265   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1       1.615   2.520   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       3.067   0.955   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.360   0.400   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.553   0.229   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.298  -0.556   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.850  -1.169   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       1.657  -0.998   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       1.912  -0.213   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       0.595  -1.954   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       1.147  -2.567   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1      -3.820  -1.006   0.000  1.00  0.00           F  
HETATM   30  C   UNL     1       3.820   1.290   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   29                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    4                                                      
CONECT    8    5    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16   19                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   15                                                 
CONECT   20   17   30                                                 
CONECT   21   16   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   24   28                                                 
CONECT   28   27                                                      
CONECT   29    2                                                      
CONECT   30   20                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D03ARS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  F   UNL     1       1.428  -3.711   0.000  1.00  0.00           F  
HETATM    2  C   UNL     1      -2.143  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -2.475   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429  -2.887   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715  -2.475   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.715  -1.650   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429  -1.238   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.429  -0.412   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.143   0.000   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.143   0.825   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.715   0.000   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.715   0.825   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1       0.715   0.000   0.000  1.00  0.00           N  
HETATM   15  S   UNL     1       1.429  -0.412   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1      -1.429  -3.712   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.143  -4.125   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1      -0.715  -4.125   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.429   1.238   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.429   2.062   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.143   2.475   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.858   2.062   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.858   1.238   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.143   3.300   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.429   3.712   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.429   4.537   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.143   4.950   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.858   4.537   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.858   3.712   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.429  -1.238   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       2.012   0.171   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       2.226  -0.626   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       0.714  -1.650   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       0.714  -2.475   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.429  -2.888   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.143  -2.475   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       2.143  -1.650   0.000  1.00  0.00           C  
HETATM   38  F   UNL     1      -0.000  -1.238   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1      -0.000  -2.888   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1       2.858  -1.238   0.000  1.00  0.00           F  
HETATM   41  F   UNL     1       2.858  -2.888   0.000  1.00  0.00           F  
HETATM   42  O   UNL     1      -2.143  -4.950   0.000  1.00  0.00           O  
HETATM   43  C   UNL     1       0.713   0.825   0.000  1.00  0.00           C  
CONECT    1   35                                                      
CONECT    2    3    7                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    2    8                                            
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9   19   23                                            
CONECT   11    8   12   13                                            
CONECT   12   11   14                                                 
CONECT   13   11                                                      
CONECT   14   12   15   43                                            
CONECT   15   14   30   31   32                                       
CONECT   16    4   17   18                                            
CONECT   17   16   42                                                 
CONECT   18   16                                                      
CONECT   19   10   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   10                                                 
CONECT   24   21   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   15   33   37                                            
CONECT   31   15                                                      
CONECT   32   15                                                      
CONECT   33   30   34   38                                            
CONECT   34   33   35   39                                            
CONECT   35   34   36    1                                            
CONECT   36   35   37   41                                            
CONECT   37   36   30   40                                            
CONECT   38   33                                                      
CONECT   39   34                                                      
CONECT   40   37                                                      
CONECT   41   36                                                      
CONECT   42   17                                                      
CONECT   43   14                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
M  END

$$$$
D03ASG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.150  -0.617   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.648   0.612   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.562  -0.205   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.313  -0.540   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.863   0.071   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       1.452   0.783   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       2.681  -0.015   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.015  -0.766   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.833  -0.852   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       4.316  -0.187   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.982   0.564   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.164   0.650   0.000  1.00  0.00           C  
HETATM   13  F   UNL     1       5.134  -0.273   0.000  1.00  0.00           F  
HETATM   14  C   UNL     1      -0.862  -0.205   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.574  -0.617   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.574  -1.439   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.862  -1.850   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.150  -1.439   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.286  -1.850   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.998  -1.439   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.710  -1.850   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.422  -1.439   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.134  -1.850   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.134  -2.672   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.422  -3.083   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.710  -2.672   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.862   0.617   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.150   1.028   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.150   1.850   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.862   2.261   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.574   1.850   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.574   1.028   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1      -0.862   3.083   0.000  1.00  0.00           F  
CONECT    1   14   18    3                                            
CONECT    2    3    6                                                 
CONECT    3    2    4    1                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    2                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10                                                      
CONECT   14    1   15   27                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17    1                                                 
CONECT   19   16   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   14   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D03BAY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.710   2.005   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.004   2.417   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.719   2.005   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.433   2.417   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1       0.004   3.242   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1       2.147   2.005   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.862   2.417   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.862   3.242   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.147   3.655   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.433   3.242   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       3.576   3.655   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.425   2.417   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.139   2.005   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.139   1.180   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.425   0.767   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.710   1.180   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.854   0.767   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.854  -0.058   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.568  -0.470   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.568  -1.295   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.854  -1.708   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.139  -1.295   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.139  -0.470   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.283  -0.058   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.283   0.767   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1      -4.997  -0.470   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.854  -2.533   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.521  -3.018   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.266  -3.803   0.000  1.00  0.00           N  
HETATM   30  N   UNL     1      -2.441  -3.803   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.186  -3.018   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.956  -4.470   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1      -1.425  -0.058   0.000  1.00  0.00           F  
HETATM   34  H   UNL     1      -1.744   1.864   0.000  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.201   1.602   0.000  1.00  0.00           H  
HETATM   36  C   UNL     1       4.288   3.242   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1       3.579   2.014   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1       3.060   3.951   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1       4.997   4.470   0.000  1.00  0.00           F  
CONECT    1    2   12   16                                            
CONECT    2    1    3    5                                            
CONECT    3    2    4                                                 
CONECT    4    3    6   10                                            
CONECT    5    2                                                      
CONECT    6    4    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    8   36                                                 
CONECT   12    1   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17   34                                       
CONECT   15   14   16   33   35                                       
CONECT   16   15    1                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   27                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   19   25   26                                            
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   21   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30   27                                                 
CONECT   32   30                                                      
CONECT   33   15                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   37   38   39   11                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   36                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END

$$$$

$$$$
D03BRP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.674  -0.149   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.258  -0.732   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.883  -1.467   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.068  -1.338   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.939  -0.523   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.081  -0.689   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.531  -1.381   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.156  -2.116   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.332  -2.159   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.427  -1.857   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.657  -1.562   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.528  -0.747   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.169  -0.228   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.606  -2.808   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.040   0.587   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.270   0.883   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1      -0.141   1.698   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.630   1.993   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.271   1.474   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1       0.759   2.808   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.041   1.770   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.682   1.250   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.553   0.436   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.194  -0.084   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.964   0.212   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.093   1.027   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.452   1.546   0.000  1.00  0.00           C  
HETATM   28 CL   UNL     1       4.606  -0.307   0.000  1.00  0.00          Cl  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5   10                                            
CONECT    5    4    1   13                                            
CONECT    6    2    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   14                                            
CONECT    9    8    3                                                 
CONECT   10    4   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    5   15                                            
CONECT   14    8                                                      
CONECT   15   13   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   21                                                 
CONECT   20   18                                                      
CONECT   21   19   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D03CJT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.659  -1.913   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.484  -1.913   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.897  -1.198   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.484  -0.484   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.659  -0.484   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.247  -1.198   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.897   0.231   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.722   0.231   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.134   0.945   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.722   1.660   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.897   1.660   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.484   0.945   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.247   0.231   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.578   0.231   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.991  -0.484   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.991   0.945   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.705   1.358   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.420   0.945   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.420   0.120   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1      -3.134   1.358   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.038   1.843   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.293   2.627   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.118   2.627   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.373   1.843   0.000  1.00  0.00           C  
HETATM   25 CL   UNL     1       0.247  -2.627   0.000  1.00  0.00          Cl  
HETATM   26  F   UNL     1       1.897  -2.627   0.000  1.00  0.00           F  
CONECT    1    2    6   25                                            
CONECT    2    1    3   26                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   13                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    5   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18   21   24                                       
CONECT   18   17   19   20                                            
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   17   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   17                                                 
CONECT   25    1                                                      
CONECT   26    2                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D03CMD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  F   UNL     1      -4.464   2.301   0.000  1.00  0.00           F  
HETATM    2  F   UNL     1      -5.219   1.094   0.000  1.00  0.00           F  
HETATM    3  F   UNL     1      -5.190   1.916   0.000  1.00  0.00           F  
HETATM    4  C   UNL     1      -4.493   1.480   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1      -0.979   0.121   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1       4.038  -0.305   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.677  -1.044   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       2.955  -2.521   0.000  1.00  0.00           O  
HETATM    9  N   UNL     1       2.857  -1.101   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       2.496  -1.839   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.148  -1.266   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.676  -1.896   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.240  -2.593   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1       0.442  -2.393   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.385  -1.573   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.311  -1.137   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.038  -1.523   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.735  -1.087   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.705  -0.265   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.126  -0.213   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.402   0.171   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.373   0.993   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.070   1.429   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.796   1.044   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.825   0.222   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.154  -1.035   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.456  -1.470   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.136  -1.726   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       4.596  -2.408   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       4.858  -0.248   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.219   0.490   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.760   1.172   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.940   1.115   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.579   0.377   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       5.121   1.911   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.662   2.593   0.000  1.00  0.00           C  
CONECT    1    4                                                      
CONECT    2    4                                                      
CONECT    3    4                                                      
CONECT    4    1    2    3   24                                       
CONECT    5   19                                                      
CONECT    6    7   30   34                                            
CONECT    7    6    9   28                                            
CONECT    8   10                                                      
CONECT    9    7   10                                                 
CONECT   10    8    9   12                                            
CONECT   11   15   12                                                 
CONECT   12   10   11   13                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   11   14   16                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19    5   18   21                                            
CONECT   20   25   21   26                                            
CONECT   21   19   20   22                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24    4   23   25                                            
CONECT   25   20   24                                                 
CONECT   26   20   27                                                 
CONECT   27   26                                                      
CONECT   28    7   29                                                 
CONECT   29   28                                                      
CONECT   30    6   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   35                                            
CONECT   33   32   34                                                 
CONECT   34   33    6                                                 
CONECT   35   32   36                                                 
CONECT   36   35                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D03CQQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.715   1.956   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.715   1.131   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.000   0.719   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.715   1.131   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.715   1.956   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.000   2.369   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429   0.719   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.429   0.719   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.183   1.054   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.735   0.441   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.322  -0.274   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.515  -0.102   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       1.510  -0.103   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.322  -0.274   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.735   0.441   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.183   1.054   0.000  1.00  0.00           N  
HETATM   17 AU   UNL     1       0.036  -0.278   0.000  1.00  0.00          Au  
HETATM   18  C   UNL     1       0.036  -1.103   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.629  -1.587   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.375  -2.369   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.447  -2.369   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       0.701  -1.587   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.411  -1.333   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.483  -1.333   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4   17                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    9   12                                            
CONECT    8    4   13   16                                            
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7   17                                            
CONECT   13    8   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15    8                                                 
CONECT   17   18    3   12   13                                       
CONECT   18   17   19   22                                            
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   18   24                                            
CONECT   23   19                                                      
CONECT   24   22                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D03CTR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.776   0.634   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.979   0.421   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.395   1.004   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.609   1.801   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.406   2.015   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.989   1.431   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.765  -0.376   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.284  -1.017   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.835  -1.709   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.038  -1.496   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.995  -0.672   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.878  -2.533   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.108  -2.829   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.589  -2.187   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.109  -1.017   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.412  -0.088   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.615  -0.302   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.031   0.282   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.401  -1.099   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       0.765   0.068   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.349   0.651   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.135   1.448   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       0.339   1.662   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.245   1.079   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.719   2.032   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.516   1.818   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       1.505   2.829   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       2.729   1.021   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.526   0.808   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.109   1.391   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.896   2.188   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.099   2.401   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8   11                                            
CONECT    8    7    9   15                                            
CONECT    9    8   10   12                                            
CONECT   10    9   11   14                                            
CONECT   11   10    7   16                                            
CONECT   12    9   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15    8                                                      
CONECT   16   11   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   20   24                                            
CONECT   19   17                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
CONECT   25   22   26   27                                            
CONECT   26   25   28   32                                            
CONECT   27   25                                                      
CONECT   28   26   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   26                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D03CYB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.714  -0.341   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.714  -1.166   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.000  -1.579   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.715  -1.166   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.715  -0.341   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.000   0.071   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.000   0.896   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.715   1.309   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.429   0.071   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.143  -0.341   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.429   0.896   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.143   1.309   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.429  -1.579   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.858   0.071   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.572  -0.341   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.572  -1.166   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.858  -1.579   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.143  -1.166   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.429   0.896   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.144   1.309   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.144   2.134   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.429   2.546   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.715   2.134   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.216  -2.375   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       0.501  -2.788   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1       1.799  -2.959   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       2.191  -1.894   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.507  -1.132   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.745  -0.816   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.858   2.546   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       3.572   2.959   0.000  1.00  0.00           N  
CONECT    1    2    6    9                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7   19   23                                            
CONECT    9    1   10   11                                            
CONECT   10    9   14   18                                            
CONECT   11    9   12                                                 
CONECT   12   11                                                      
CONECT   13    4   24   27   29                                       
CONECT   14   10   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   10                                                 
CONECT   19    8   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   30                                            
CONECT   22   21   23                                                 
CONECT   23   22    8                                                 
CONECT   24   13   25   26                                            
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   13   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   13                                                 
CONECT   30   31   21                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D03DIQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.963   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.963   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.248   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.534   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.534   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.248   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.819   2.062   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -4.105   1.650   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.105   0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.391   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.676   0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.676   1.650   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.391   2.062   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.962   0.412   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.247   0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.533   0.412   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.247   1.650   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       0.182   0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.896   0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.896  -0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.611  -0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.325  -0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.325   0.412   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.611   0.825   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       3.110  -0.667   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       3.595   0.000   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.110   0.667   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       1.611  -1.650   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       0.896  -2.062   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.420   0.000   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.832  -0.715   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.657  -0.715   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       6.070   0.000   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       5.657   0.715   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.832   0.715   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1       6.877   0.172   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1       6.963   0.992   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1       6.209   1.328   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   28                                            
CONECT   22   21   23   25                                            
CONECT   23   22   24   27                                            
CONECT   24   23   19                                                 
CONECT   25   22   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   23                                                 
CONECT   28   21   29                                                 
CONECT   29   28                                                      
CONECT   30   26   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   36                                            
CONECT   34   33   35   38                                            
CONECT   35   34   30                                                 
CONECT   36   33   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   34                                                 
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D03DQW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.235   1.297   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.521   1.709   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.806   1.297   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.092   1.709   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.377   1.297   0.000  1.00  0.00           N  
HETATM    6  O   UNL     1      -2.092   2.534   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.806   0.472   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.663   1.709   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.663   2.534   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.052   1.297   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       0.052   0.472   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1       0.766   1.709   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.481   1.297   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.052   2.947   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.377   2.947   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.094   1.849   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.758   2.602   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.938   2.516   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.816   0.543   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.637   0.629   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.808   1.436   0.000  1.00  0.00           N  
HETATM   22  H   UNL     1       0.868   0.745   0.000  1.00  0.00           H  
HETATM   23  O   UNL     1       1.404  -0.172   0.000  1.00  0.00           O  
HETATM   24  H   UNL     1       2.677   2.432   0.000  1.00  0.00           H  
HETATM   25  C   UNL     1      -0.663   3.359   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.617  -0.968   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.034  -1.552   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.247  -2.349   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.044  -2.562   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.628  -1.979   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.414  -1.182   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1       3.425  -2.192   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       2.258  -3.359   0.000  1.00  0.00           F  
HETATM   34  S   UNL     1       3.521   1.851   0.000  1.00  0.00           S  
HETATM   35  O   UNL     1       3.108   2.566   0.000  1.00  0.00           O  
HETATM   36  O   UNL     1       4.235   2.264   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1       3.933   1.137   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    6                                            
CONECT    5    4    8                                                 
CONECT    6    4                                                      
CONECT    7    3                                                      
CONECT    8    5    9   10                                            
CONECT    9    8   14   15   25                                       
CONECT   10    8   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   13   18                                            
CONECT   13   12   16   19   22                                       
CONECT   14    9                                                      
CONECT   15    9                                                      
CONECT   16   13   17   21   24                                       
CONECT   17   16   18                                                 
CONECT   18   17   12                                                 
CONECT   19   13   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   16   34                                            
CONECT   22   13                                                      
CONECT   23   19   26                                                 
CONECT   24   16                                                      
CONECT   25    9                                                      
CONECT   26   23   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   33                                            
CONECT   30   29   31   32                                            
CONECT   31   30   26                                                 
CONECT   32   30                                                      
CONECT   33   29                                                      
CONECT   34   21   35   36   37                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D03DSN
  -OEChem-09301911202D

 55 59  0     1  0  0  0  0  0999 V2000
    7.2764    1.1411    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1606   -0.0222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600    1.9458    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    9.8078   -0.5574    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764    2.7505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4477    1.1368    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3988    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3988    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4477    2.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1387    0.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4988   -1.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1680   -2.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8590   -3.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1461   -2.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5281   -3.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8152   -2.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5062   -3.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8354    1.0398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5277    0.8394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0154    1.5106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0154    2.3810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5277    3.0523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6999    3.3212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9108    3.0648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4143   -0.4285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9514   -1.2174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1171   -1.9970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    3.4828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.2558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    2.4089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2525   -3.3316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3377   -1.4540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3365   -4.5355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4217   -2.6579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9211   -4.1986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.2558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.3642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 16  1  0  0  0  0
  2 13  2  0  0  0  0
  3 18  2  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  5 13  1  0  0  0  0
  5 17  1  0  0  0  0
  5 40  1  0  0  0  0
  6 14  2  0  0  0  0
  6 15  1  0  0  0  0
  7 18  1  0  0  0  0
  7 20  1  0  0  0  0
  7 22  1  0  0  0  0
  8 16  1  0  0  0  0
  8 20  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  6  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 25  2  0  0  0  0
 21 26  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 27  1  0  0  0  0
 23 46  1  0  0  0  0
 24 28  2  0  0  0  0
 24 47  1  0  0  0  0
 25 30  1  0  0  0  0
 25 48  1  0  0  0  0
 26 31  2  0  0  0  0
 26 49  1  0  0  0  0
 27 29  2  0  0  0  0
 27 50  1  0  0  0  0
 28 29  1  0  0  0  0
 28 51  1  0  0  0  0
 29 52  1  0  0  0  0
 30 32  2  0  0  0  0
 30 53  1  0  0  0  0
 31 32  1  0  0  0  0
 31 54  1  0  0  0  0
 32 55  1  0  0  0  0
M  END

$$$$
D03DZQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.073   0.210   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.073  -0.615   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.359  -1.028   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.644  -0.615   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.644   0.210   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.359   0.622   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.930  -1.028   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.215  -0.615   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -0.930  -1.853   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.002  -1.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.754  -1.742   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.484  -1.356   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.637  -0.546   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.099   0.080   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.275   0.080   0.000  1.00  0.00           C  
HETATM   16  F   UNL     1      -3.788   0.622   0.000  1.00  0.00           F  
HETATM   17  F   UNL     1      -3.788  -1.028   0.000  1.00  0.00           F  
HETATM   18  C   UNL     1       1.443   0.829   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       2.264   0.906   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1       0.860   1.413   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       1.073   2.210   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.490   2.793   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.870   2.423   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.754  -2.567   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.338  -2.325   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.207  -1.753   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.808  -1.187   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       2.455  -0.441   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       2.397  -2.556   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.187  -2.793   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.788  -2.227   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.598  -1.424   0.000  1.00  0.00           C  
CONECT    1    2    6   16                                            
CONECT    2    1    3   17                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   10   15                                            
CONECT    9    7                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12   24   25                                       
CONECT   12   11   13   26                                            
CONECT   13   12   14   28                                            
CONECT   14   13   15   18                                            
CONECT   15   14    8                                                 
CONECT   16    1                                                      
CONECT   17    2                                                      
CONECT   18   14   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24   11                                                      
CONECT   25   11                                                      
CONECT   26   12   27   29                                            
CONECT   27   26   28   32                                            
CONECT   28   27   13                                                 
CONECT   29   26   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D03EEA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.850   1.389   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.850   0.564   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.135   0.151   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.421   0.564   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.421   1.389   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.135   1.801   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.564   1.801   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.706   0.151   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.706  -0.674   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.992   0.564   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.277   0.151   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.563   0.564   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.563   1.389   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.277   1.801   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.992   1.389   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.992  -1.087   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.277  -0.674   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.421  -1.087   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.135  -0.674   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       0.152   0.151   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       0.152  -0.674   0.000  1.00  0.00           O  
HETATM   22  N   UNL     1       0.866   0.564   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.581   0.151   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.581  -0.674   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.295  -1.087   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.009  -0.674   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       3.009   0.151   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       2.295   0.564   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       3.724  -1.087   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       4.438  -0.674   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.152  -1.087   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.739  -1.801   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.437  -0.674   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       5.564  -0.372   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    4    9   10                                            
CONECT    9    8   16   18                                            
CONECT   10    8   11   15                                            
CONECT   11   10   12   17                                            
CONECT   12   11   13   20                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    9   17                                                 
CONECT   17   16   11                                                 
CONECT   18    9   19                                                 
CONECT   19   18                                                      
CONECT   20   12   21   22                                            
CONECT   21   20                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   26   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   33   34                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D03EHC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.077  -0.820   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.077  -1.645   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.362  -2.058   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.648  -1.645   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.648  -0.820   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.362  -0.407   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.067  -2.058   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.781  -1.645   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.781  -0.820   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.067  -0.407   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.362   0.415   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.650   0.826   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.650   1.645   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.362  -2.882   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1       0.064   2.058   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       0.064   2.882   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.779   1.645   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.493   2.058   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.077   2.641   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   14                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    6   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   15                                                 
CONECT   14    3                                                      
CONECT   15   13   16   17                                            
CONECT   16   15                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END

$$$$

$$$$

$$$$
D03EHI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.414  -0.292   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.414  -1.117   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.700  -1.529   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.985  -1.117   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.985  -0.292   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.700   0.121   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.271  -1.529   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.556  -1.117   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.158  -1.529   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.873  -1.117   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.873  -0.292   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.158   0.121   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.556  -0.292   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.129   0.121   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.587   0.121   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.412   0.121   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.996   0.704   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       3.710   0.292   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       2.996   1.529   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       3.710  -0.533   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.425  -0.946   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       5.139  -0.533   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       5.139   0.292   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.425   0.704   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.342   0.918   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.139   0.704   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.926  -0.093   0.000  1.00  0.00           C  
CONECT    1    2    6   14                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    1   25   27                                            
CONECT   15   11   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   20   24                                            
CONECT   19   17                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
CONECT   25   14   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   14                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D03EMY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.970  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.970  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.256  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.459  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.459  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.256   0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.685   0.206   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1       1.173   0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.888  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.399  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.114   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.602   0.206   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       1.888  -1.031   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1      -2.399  -1.031   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       3.317  -0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.031   0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.031   1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.317   1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.602   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.114   1.031   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.828   1.444   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -4.543   1.031   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.543   0.206   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.828  -0.206   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -5.156  -0.346   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.820  -1.099   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.999  -1.013   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.743  -0.203   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1       4.331  -0.918   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1       4.029   0.209   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1       5.156   0.511   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    1   10                                                 
CONECT    8    5    9                                                 
CONECT    9    8   12   13                                            
CONECT   10    7   11   14                                            
CONECT   11   10   20   24                                            
CONECT   12    9   15   19                                            
CONECT   13    9                                                      
CONECT   14   10                                                      
CONECT   15   12   16                                                 
CONECT   16   15   17   28                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   12                                                 
CONECT   20   11   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   11   27                                            
CONECT   25   23   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   24                                                 
CONECT   28   16   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D03ENW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.855   1.038   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.855   0.213   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.141  -0.200   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.426   0.213   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.426   1.038   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.141   1.450   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.781  -0.302   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.023  -0.118   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.381   0.625   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.023   1.369   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.781   1.552   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.446   2.077   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.097   2.698   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.855   2.374   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       1.206   0.625   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.619   1.340   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.206   2.054   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       0.537  -0.763   0.000  1.00  0.00           C  
HETATM   19  H   UNL     1      -2.141  -1.025   0.000  1.00  0.00           H  
HETATM   20  C   UNL     1       0.236  -1.531   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.750  -2.176   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.566  -2.053   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.868  -1.285   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.353  -0.640   0.000  1.00  0.00           C  
HETATM   25  H   UNL     1       2.081  -2.698   0.000  1.00  0.00           H  
HETATM   26  N   UNL     1       2.443   1.341   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.855   2.056   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.855   0.627   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   19                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   18                                            
CONECT    9    8   10   15                                            
CONECT   10    9   11   12                                            
CONECT   11   10    5   14                                            
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   11                                                 
CONECT   15    9   16                                                 
CONECT   16   15   17   26                                            
CONECT   17   16                                                      
CONECT   18    8   20   24                                            
CONECT   19    3                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
CONECT   25   22                                                      
CONECT   26   16   27   28                                            
CONECT   27   26                                                      
CONECT   28   26                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D03EOJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930  -1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930  -2.062   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215  -2.475   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501  -2.062   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501  -1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215  -0.825   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -1.786  -0.825   0.000  1.00  0.00           S  
HETATM    8  O   UNL     1      -1.072  -1.238   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.357  -0.825   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.369  -0.242   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1      -1.203  -0.242   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.357  -1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.072  -0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.072   0.000   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.357   0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.357   0.000   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.786   0.412   0.000  1.00  0.00           C  
HETATM   18  CA  UNL     1       1.786   1.238   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.501   1.650   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       3.215   1.238   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.930   1.650   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       4.644   1.238   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.072   1.650   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       0.357   1.238   0.000  1.00  0.00           O  
HETATM   25  OXT UNL     1       1.072   2.475   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1       3.215   0.412   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1       3.930   2.475   0.000  1.00  0.00           O  
HETATM   28 BR   UNL     1      -4.644  -2.475   0.000  1.00  0.00          Br  
CONECT    1    2    6                                                 
CONECT    2    1    3   28                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   10   11                                       
CONECT    8    7    9                                                 
CONECT    9    8   12   16                                            
CONECT   10    7                                                      
CONECT   11    7                                                      
CONECT   12    9   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15    9                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   26                                            
CONECT   21   20   22   27                                            
CONECT   22   21                                                      
CONECT   23   18   24   25                                            
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   20                                                      
CONECT   27   21                                                      
CONECT   28    2                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D03ETN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429  -0.460   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.429  -1.285   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.715  -1.698   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.000  -1.285   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.000  -0.460   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.715  -0.048   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.143  -0.048   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.143  -1.698   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.715   0.777   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.000   1.190   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.754   0.854   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1       1.306   1.467   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.893   2.182   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.086   2.010   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.229   2.935   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.715  -1.698   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.715  -2.523   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.429  -2.935   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.143  -2.523   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.143  -1.698   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.429  -1.285   0.000  1.00  0.00           C  
HETATM   22 CL   UNL     1       1.429  -0.460   0.000  1.00  0.00          Cl  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    9                                            
CONECT    7    1                                                      
CONECT    8    2                                                      
CONECT    9    6   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13   10                                                 
CONECT   15   13                                                      
CONECT   16    4   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16   22                                            
CONECT   22   21                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D03EUD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.300  -0.914   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.888  -1.629   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.062  -1.629   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.650  -0.914   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.062  -0.200   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.888  -0.200   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.825  -0.914   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.412  -0.200   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.412  -1.629   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.412  -1.629   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.825  -2.343   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.650  -2.343   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.062  -1.629   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.650  -0.914   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.825  -0.914   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.888  -1.629   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.300  -2.343   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       3.300  -0.914   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       2.888  -0.200   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       0.408  -0.114   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.580   0.693   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.135   1.106   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.748   0.554   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       1.294   1.106   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.294   1.931   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.580   2.343   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.135   1.931   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   20   23                                            
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18                                                      
CONECT   20    8   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23   27                                            
CONECT   23   22    8                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D03EYJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.709   1.577   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.464   0.792   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.358   0.783   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.621   1.562   0.000  1.00  0.00           N  
HETATM    5  O   UNL     1      -0.038   2.053   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1      -0.954   0.133   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.771   0.228   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.261  -0.432   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1      -2.097   0.982   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       0.834   0.112   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.491  -0.635   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.967  -1.305   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.786  -1.229   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.129  -0.481   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.653   0.189   0.000  1.00  0.00           C  
HETATM   16 CL   UNL     1       2.261  -1.899   0.000  1.00  0.00          Cl  
HETATM   17 CL   UNL     1       0.624  -2.053   0.000  1.00  0.00          Cl  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4   10                                            
CONECT    4    3    5                                                 
CONECT    5    4    1                                                 
CONECT    6    2    7                                                 
CONECT    7    6    8    9                                            
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    3   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13                                                      
CONECT   17   12                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D03EYT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.072   1.031   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.786   1.444   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.357  -0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.357   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.072  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.786   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.786   1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.072   1.444   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.357   1.031   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.501  -0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.501  -1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.215  -1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.930  -1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.930  -0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.215   0.206   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       3.215   1.031   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       3.930   1.444   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.215  -0.206   0.000  1.00  0.00           C  
HETATM   23  S   UNL     1      -3.930   0.206   0.000  1.00  0.00           S  
HETATM   24  O   UNL     1      -3.517   0.921   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.342  -0.508   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.644   0.619   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       2.501   1.444   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       4.644  -1.444   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   22                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12   27                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   28                                            
CONECT   18   17   19                                                 
CONECT   19   18   14   20                                            
CONECT   20   19   21                                                 
CONECT   21   20                                                      
CONECT   22    2   23                                                 
CONECT   23   22   24   25   26                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23                                                      
CONECT   27   11                                                      
CONECT   28   17                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D03FDN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.257   1.927   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.257   1.102   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.543   0.689   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.829   1.102   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.829   1.927   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.543   2.339   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.114   0.689   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.028  -0.131   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.221  -0.303   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.192   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.360   1.025   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -3.972   2.339   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1      -1.641  -0.683   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.426  -0.428   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.039  -0.980   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.867  -1.787   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.083  -2.042   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.469  -1.490   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -3.480  -2.339   0.000  1.00  0.00          Cl  
HETATM   20 CL   UNL     1      -0.685  -1.745   0.000  1.00  0.00          Cl  
HETATM   21  C   UNL     1      -0.189   1.832   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.012   0.498   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.348   1.252   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       1.497  -0.169   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.322  -0.169   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.735  -0.884   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.559  -0.884   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.972  -0.169   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.559   0.545   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.735   0.545   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   22                                            
CONECT   11   10    7   21                                            
CONECT   12    1                                                      
CONECT   13    8   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13   20                                            
CONECT   19   16                                                      
CONECT   20   18                                                      
CONECT   21   11                                                      
CONECT   22   10   23   24                                            
CONECT   23   22                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D03FSF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786   1.389   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786   0.564   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072   0.151   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357   0.564   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357   1.389   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072   1.801   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.501   0.151   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.215   0.564   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.215   1.389   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.930   1.801   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.644   1.389   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.644   0.564   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.930   0.151   0.000  1.00  0.00           C  
HETATM   14 CL   UNL     1      -3.930  -0.674   0.000  1.00  0.00          Cl  
HETATM   15 CL   UNL     1      -2.501   1.801   0.000  1.00  0.00          Cl  
HETATM   16  C   UNL     1       0.357   0.151   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.072   0.564   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       0.357  -0.674   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.786   0.151   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.786  -0.674   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.501  -1.087   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.215  -0.674   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.215   0.151   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.501   0.564   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.930  -1.087   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.342  -0.372   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.517  -1.801   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.644  -1.499   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.688  -0.814   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.974  -1.226   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.259  -0.814   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.545  -1.226   0.000  1.00  0.00           C  
CONECT    1    2    6   15                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8   29                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8   14                                            
CONECT   14   13                                                      
CONECT   15    1                                                      
CONECT   16    4   17   18                                            
CONECT   17   16   19                                                 
CONECT   18   16                                                      
CONECT   19   17   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
CONECT   29    7   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D03FZI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501   0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072   0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072   1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   1.856   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.786  -0.619   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.501  -1.856   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.786  -2.269   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.072  -1.856   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.072  -1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.786   2.681   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.072   3.094   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1      -2.501   3.094   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.357   1.856   0.000  1.00  0.00           N  
HETATM   17  S   UNL     1       0.357   1.444   0.000  1.00  0.00           S  
HETATM   18  C   UNL     1       1.072   1.856   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.786   1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.501   1.856   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.501   2.681   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.786   3.094   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.072   2.681   0.000  1.00  0.00           C  
HETATM   24  F   UNL     1      -1.786  -3.094   0.000  1.00  0.00           F  
HETATM   25  O   UNL     1       0.357   2.269   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1       0.357   0.619   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   16                                            
CONECT    6    5    1   13                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   24                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    6   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16    5   17                                                 
CONECT   17   16   18   25   26                                       
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   10                                                      
CONECT   25   17                                                      
CONECT   26   17                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D03GFB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.662  -0.770   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.837  -0.770   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.425  -0.056   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.837   0.659   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.662   0.659   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.075  -0.056   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.582   1.444   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.250   1.929   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.917   1.444   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.702   1.698   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.868   1.856   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.153   1.444   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.561   1.856   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.276   1.444   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.990   1.856   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.704   1.444   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.704   0.619   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       3.419   0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.133   0.619   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.133   1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.419   1.856   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       3.006  -0.508   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       3.558  -1.121   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.312  -0.786   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.226   0.035   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.387  -1.929   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.900  -0.056   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1      -1.425  -1.484   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.312  -0.770   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   28                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   27                                            
CONECT    7    4    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9                                                      
CONECT   11    7   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   22   25                                       
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   18   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   18                                                 
CONECT   26   23                                                      
CONECT   27    6   29                                                 
CONECT   28    2                                                      
CONECT   29   27                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D03GFZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.285   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.285   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.570  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.856   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.856   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.570   1.444   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.071  -0.049   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.414   0.619   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1      -0.071   1.286   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1      -1.570   2.269   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.856   2.681   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1      -2.285   2.681   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       1.239   0.619   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.570  -1.031   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.285  -1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.999  -1.031   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.714  -1.444   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.714  -2.269   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.999  -2.681   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.285  -2.269   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.651  -0.096   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.476  -0.096   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.889   0.619   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.476   1.333   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.651   1.333   0.000  1.00  0.00           C  
HETATM   26 CL   UNL     1       3.714   0.619   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   14                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8    5                                                 
CONECT   10    6   11   12                                            
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13    8   21   25                                            
CONECT   14    3   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   13   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   13                                                 
CONECT   26   23                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D03GLK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.145   1.927   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.145   1.102   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.430   0.689   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.716   1.102   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.716   1.927   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.430   2.339   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.002   0.689   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.915  -0.131   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.108  -0.303   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.304   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.248   1.025   0.000  1.00  0.00           C  
HETATM   12 BR   UNL     1      -3.859   2.339   0.000  1.00  0.00          Br  
HETATM   13  C   UNL     1      -1.528  -0.683   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.313  -0.428   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.926  -0.980   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.755  -1.787   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.970  -2.042   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.357  -1.490   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -0.572  -1.745   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1      -0.076   1.832   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1      -3.368  -2.339   0.000  1.00  0.00          Cl  
HETATM   22  C   UNL     1       0.708   2.087   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.125   0.498   0.000  1.00  0.00           C  
HETATM   24  S   UNL     1       1.677  -0.115   0.000  1.00  0.00           S  
HETATM   25  C   UNL     1       2.430   0.221   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.344   1.041   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       1.537   1.212   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       3.145  -0.192   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.859   0.221   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.145  -1.017   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.859  -0.605   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   23                                            
CONECT   11   10    7   20                                            
CONECT   12    1                                                      
CONECT   13    8   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   13   19                                            
CONECT   19   18                                                      
CONECT   20   11   22                                                 
CONECT   21   16                                                      
CONECT   22   20                                                      
CONECT   23   10   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   23                                                 
CONECT   28   25   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D03GPW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.622  -0.493   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.622  -1.315   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.909  -1.726   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.197  -1.315   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.197  -0.493   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.909  -0.082   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.416  -1.569   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.932  -0.904   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.416  -0.239   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.611  -0.068   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.357   0.714   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.907   1.325   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.712   1.154   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.966   0.372   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.653   2.107   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.151   2.278   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.161  -2.351   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.701   1.667   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.505   1.838   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.759   2.620   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.209   3.231   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.405   3.060   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.712  -2.962   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.458  -3.744   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.653  -3.915   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.103  -3.304   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.357  -2.522   0.000  1.00  0.00           N  
HETATM   28 CL   UNL     1      -2.008  -4.355   0.000  1.00  0.00          Cl  
HETATM   29  O   UNL     1       2.563   2.791   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       2.817   3.573   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       3.071   4.355   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       2.267   4.184   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       3.622   3.744   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   17                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   10   14                                       
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16                                                 
CONECT   16   15   18   22                                            
CONECT   17    7   23   27                                            
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   29   19   21                                            
CONECT   21   20   22                                                 
CONECT   22   21   16                                                 
CONECT   23   17   24                                                 
CONECT   24   23   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   17                                                 
CONECT   28   24                                                      
CONECT   29   30   20                                                 
CONECT   30   31   32   33   29                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D03GTM
  -OEChem-09301911232D

 42 46  0     1  0  0  0  0  0999 V2000
    6.1279    4.8842    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9989   -1.2829    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    1.8842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4289   -3.9726    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.2619    0.3842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298    0.3842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836   -0.9206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836    0.6889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6051   -2.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9843   -2.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5938   -2.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -1.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3990   -3.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0303   -3.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298   -0.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    0.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8399   -4.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    1.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    2.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939    2.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    3.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939    3.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    3.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5590   -2.4653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4671   -3.2582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7968   -4.0126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4412   -4.4838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4659   -3.5708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5395   -2.7759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3400    0.3016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7385    0.9918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2747   -5.1390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0948   -5.4494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4051   -4.6293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -0.1158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7249    2.0742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5309    2.0742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7249    3.6942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5309    3.6942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 11  1  0  0  0  0
  2 15  1  0  0  0  0
  3 18  2  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 19  1  0  0  0  0
  5 15  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 18  1  0  0  0  0
  7 16  2  0  0  0  0
  7 21  1  0  0  0  0
  8 21  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 17 20  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 38  1  0  0  0  0
 22 24  1  0  0  0  0
 22 39  1  0  0  0  0
 23 25  2  0  0  0  0
 23 40  1  0  0  0  0
 24 26  2  0  0  0  0
 24 41  1  0  0  0  0
 25 26  1  0  0  0  0
 25 42  1  0  0  0  0
M  END

$$$$
D03HAA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.777  -0.604   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.777  -1.429   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.491  -1.841   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       3.205  -1.429   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       3.205  -0.604   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       2.491  -0.191   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1       0.992  -0.349   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1       0.507  -1.016   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.992  -1.684   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.318  -1.016   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.731  -0.302   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.556  -0.302   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.968  -1.016   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.556  -1.731   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.731  -1.731   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.968   0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.556   1.127   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.968   1.841   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.793   1.841   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.205   1.127   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.793   0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.318   0.412   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12   22                                            
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   12   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   11                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D03HED
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.359   0.802   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.359  -0.023   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.645  -0.435   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.930  -0.023   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.930   0.802   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.645   1.215   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.074   1.215   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -0.216  -0.435   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.499  -0.023   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       1.213  -0.435   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.928  -0.023   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.928   0.802   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.213   1.215   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.499   0.802   0.000  1.00  0.00           N  
HETATM   15  N   UNL     1       2.712  -0.278   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       3.197   0.390   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.712   1.057   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.074   2.040   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.788   2.452   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.503   2.040   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.503   1.215   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.788   0.802   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.048  -1.032   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.868  -1.118   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       4.353  -0.450   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       4.018   0.303   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.228  -0.943   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.741  -1.609   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.074  -2.364   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.895  -2.452   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.381  -1.786   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       4.503   0.971   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1   18   22                                            
CONECT    8    4    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   11   16   23                                            
CONECT   16   15   17   26                                            
CONECT   17   16   12                                                 
CONECT   18    7   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21    7                                                 
CONECT   23   15   24   27   31                                       
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   16   32                                            
CONECT   27   23   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   23                                                 
CONECT   32   26                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D03HEK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.373   1.515   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.373   0.690   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.658   0.277   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.944   0.690   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.944   1.515   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.658   1.927   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.658   2.752   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.944   3.165   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.229   2.752   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.515   3.165   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.515   3.990   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.229   4.402   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.944   3.990   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -0.800   2.752   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.714   1.932   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.093   1.760   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.505   2.475   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.047   3.088   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.266   1.319   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.011   0.534   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.204   0.363   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.348   0.976   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.658  -0.548   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       1.155   0.804   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       1.410   0.020   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.217  -0.152   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.769   0.461   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.514   1.246   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.707   1.417   0.000  1.00  0.00           C  
HETATM   30  S   UNL     1       3.576   0.290   0.000  1.00  0.00           S  
HETATM   31  O   UNL     1       3.988   1.004   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       4.373   0.076   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       3.362  -0.507   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1      -2.944  -0.960   0.000  1.00  0.00           N  
HETATM   35  O   UNL     1      -4.373  -0.960   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1      -2.944  -1.785   0.000  1.00  0.00           C  
HETATM   37  N   UNL     1      -2.229  -2.198   0.000  1.00  0.00           N  
HETATM   38  C   UNL     1      -1.515  -1.785   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.515  -0.960   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.229  -0.548   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.058  -3.005   0.000  1.00  0.00           C  
HETATM   42  N   UNL     1      -1.237  -3.091   0.000  1.00  0.00           N  
HETATM   43  N   UNL     1      -0.902  -2.337   0.000  1.00  0.00           N  
HETATM   44  C   UNL     1      -2.610  -3.618   0.000  1.00  0.00           C  
HETATM   45  F   UNL     1      -2.355  -4.402   0.000  1.00  0.00           F  
HETATM   46  F   UNL     1      -3.022  -4.332   0.000  1.00  0.00           F  
HETATM   47  F   UNL     1      -3.435  -3.618   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   23                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15   18                                            
CONECT   15   14   16   19                                            
CONECT   16   15   17   22                                            
CONECT   17   16   18                                                 
CONECT   18   17   14                                                 
CONECT   19   15   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   16   24                                            
CONECT   23    3   34   35                                            
CONECT   24   22   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
CONECT   34   23   36   40                                            
CONECT   35   23                                                      
CONECT   36   34   37                                                 
CONECT   37   36   38   41                                            
CONECT   38   37   39   43                                            
CONECT   39   38   40                                                 
CONECT   40   39   34                                                 
CONECT   41   37   42   44                                            
CONECT   42   41   43                                                 
CONECT   43   42   38                                                 
CONECT   44   41   45   46   47                                       
CONECT   45   44                                                      
CONECT   46   44                                                      
CONECT   47   44                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
M  END

$$$$
D03HEP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.030   0.309   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.030  -0.516   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.316  -0.928   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.399  -0.516   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.399   0.309   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.316   0.722   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.745   0.722   0.000  1.00  0.00           C  
HETATM    8  S   UNL     1       1.113   0.722   0.000  1.00  0.00           S  
HETATM    9 AU   UNL     1       1.828   0.309   0.000  1.00  0.00          Au  
HETATM   10  P   UNL     1       2.653   0.309   0.000  1.00  0.00           P  
HETATM   11  C   UNL     1       3.065  -0.405   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.478   0.309   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.890   1.024   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.890  -0.405   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.653   1.134   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.938   1.547   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.673  -1.547   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1      -1.387  -0.309   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.387  -1.134   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.102  -1.547   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.745  -0.928   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.460   0.309   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.460  -0.516   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.174  -0.928   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       0.396  -0.928   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.318   0.309   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.318  -0.516   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.032  -0.928   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.461   0.309   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1      -3.176   1.547   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -3.176   0.722   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.890   0.309   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   21                                            
CONECT    3    2    4   17                                            
CONECT    4    3    5   25                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    1   29                                                 
CONECT    8    5    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   12   15                                       
CONECT   11   10   14                                                 
CONECT   12   10   13                                                 
CONECT   13   12                                                      
CONECT   14   11                                                      
CONECT   15   10   16                                                 
CONECT   16   15                                                      
CONECT   17    3   19                                                 
CONECT   18   19                                                      
CONECT   19   17   18   20                                            
CONECT   20   19                                                      
CONECT   21    2   23                                                 
CONECT   22   23                                                      
CONECT   23   21   22   24                                            
CONECT   24   23                                                      
CONECT   25    4   27                                                 
CONECT   26   27                                                      
CONECT   27   25   26   28                                            
CONECT   28   27                                                      
CONECT   29    7   31                                                 
CONECT   30   31                                                      
CONECT   31   29   30   32                                            
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D03HHD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.254   1.399   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.254   0.574   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.539   0.161   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.825   0.574   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.825   1.399   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.539   1.811   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.110   0.161   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.024  -0.659   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.217  -0.831   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -0.805  -0.116   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.357   0.497   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.637  -1.211   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.422  -0.956   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.035  -1.508   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.863  -2.315   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.079  -2.570   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.466  -2.018   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -4.476  -2.867   0.000  1.00  0.00          Cl  
HETATM   19  C   UNL     1       0.016  -0.030   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.501  -0.697   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1       0.351   0.724   0.000  1.00  0.00           N  
HETATM   22  S   UNL     1       1.176   0.724   0.000  1.00  0.00           S  
HETATM   23  C   UNL     1       2.001   0.724   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       1.176   1.549   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1       1.176  -0.101   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       2.414   0.009   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.239   0.009   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.651   0.724   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.239   1.438   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.414   1.438   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.651   2.153   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       3.239   2.867   0.000  1.00  0.00           O  
HETATM   33  N   UNL     1       4.476   2.153   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1       0.501  -1.522   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.214  -1.935   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       1.215  -1.935   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1      -0.928  -1.522   0.000  1.00  0.00           O  
HETATM   38  N   UNL     1      -0.214  -2.760   0.000  1.00  0.00           N  
HETATM   39  C   UNL     1       1.215  -2.760   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       1.930  -1.522   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    8   11    4                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   19                                            
CONECT   11   10    7                                                 
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15                                                      
CONECT   19   10   20   21                                            
CONECT   20   19   34                                                 
CONECT   21   19   22                                                 
CONECT   22   21   23   24   25                                       
CONECT   23   22   26   30                                            
CONECT   24   22                                                      
CONECT   25   22                                                      
CONECT   26   23   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29   23                                                 
CONECT   31   29   32   33                                            
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   20   35   36                                            
CONECT   35   34   37   38                                            
CONECT   36   34   39   40                                            
CONECT   37   35                                                      
CONECT   38   35                                                      
CONECT   39   36                                                      
CONECT   40   36                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D03HHN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.836   1.469   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.633   1.255   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.847   0.458   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.263  -0.125   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.467   0.088   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.253   0.885   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.456   1.099   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.815   0.580   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.123   1.029   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.337   1.826   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.160   1.869   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.610   2.561   0.000  1.00  0.00           O  
HETATM   13  N   UNL     1       0.647   0.733   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.776  -0.082   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.546  -0.377   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.188   0.142   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       2.058   0.957   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.288   1.252   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.958  -0.154   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.599   0.365   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       3.087  -0.969   0.000  1.00  0.00           O  
HETATM   22  N   UNL     1       4.396   0.152   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       4.845   0.844   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.326   1.485   0.000  1.00  0.00           C  
HETATM   25  S   UNL     1       3.556   1.189   0.000  1.00  0.00           S  
HETATM   26  C   UNL     1      -3.477  -0.922   0.000  1.00  0.00           C  
HETATM   27  S   UNL     1      -4.247  -1.218   0.000  1.00  0.00           S  
HETATM   28  C   UNL     1      -4.204  -2.042   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.407  -2.255   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -2.958  -1.563   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.134  -1.520   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.845  -2.561   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   26                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10    7   12                                            
CONECT   12   11                                                      
CONECT   13    9   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16   20   21                                            
CONECT   20   19   22   25                                            
CONECT   21   19                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26    4   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29   32                                            
CONECT   29   28   30                                                 
CONECT   30   29   26   31                                            
CONECT   31   30                                                      
CONECT   32   28                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D03HMW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.944   0.096   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.230   0.508   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.515   0.096   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.801   0.508   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.801   1.333   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.515   1.746   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.230   1.333   0.000  1.00  0.00           C  
HETATM    8 CL   UNL     1      -2.944   1.746   0.000  1.00  0.00          Cl  
HETATM    9  N   UNL     1      -0.086   0.096   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.086  -0.729   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.628  -1.142   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.343  -0.729   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.343   0.096   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.628   0.508   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.658   0.508   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.373   0.096   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.373  -0.729   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.658  -1.142   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.944  -0.729   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.087  -1.142   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.127  -0.984   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.612  -0.317   0.000  1.00  0.00           C  
HETATM   23  S   UNL     1       2.127   0.351   0.000  1.00  0.00           S  
HETATM   24  N   UNL     1       3.437  -0.317   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       3.850  -1.031   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       3.437  -1.746   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       4.675  -1.031   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.087  -1.746   0.000  1.00  0.00           C  
CONECT    1    2   15   19                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    2    8                                            
CONECT    8    7                                                      
CONECT    9    4   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   21                                            
CONECT   13   12   14   23                                            
CONECT   14   13    9                                                 
CONECT   15    1   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18    1                                                 
CONECT   20   17                                                      
CONECT   21   12   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   13                                                 
CONECT   24   22   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25                                                      
CONECT   27   25   28                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D03HNU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.497  -0.139   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.279   0.115   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.450   0.919   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.839   1.469   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.057   1.215   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.886   0.411   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.326  -0.943   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.575  -1.278   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1       0.661  -2.095   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1       1.465  -2.266   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.876  -1.554   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       2.694  -1.468   0.000  1.00  0.00           O  
HETATM   13  N   UNL     1      -0.137  -0.867   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -0.137  -0.044   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.849   0.367   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.561  -0.044   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.849   1.189   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.312   0.290   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.862  -0.321   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.451  -1.033   0.000  1.00  0.00           C  
HETATM   21  S   UNL     1      -1.647  -0.862   0.000  1.00  0.00           S  
HETATM   22 CL   UNL     1      -2.785  -1.784   0.000  1.00  0.00          Cl  
HETATM   23  F   UNL     1       2.052   2.266   0.000  1.00  0.00           F  
HETATM   24  F   UNL     1       2.862  -0.468   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3   24                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   23                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8   11                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    7   12                                            
CONECT   12   11                                                      
CONECT   13    8   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   18   21                                            
CONECT   17   15                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   16                                                 
CONECT   22   20                                                      
CONECT   23    4                                                      
CONECT   24    2                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D03HPW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.047   0.651   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.833  -0.145   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.037  -0.359   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.453   0.224   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.667   1.021   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.464   1.235   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.844   0.865   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.662  -1.094   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.847  -0.965   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.718  -0.150   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.983   0.224   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.291  -0.225   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1      -1.940   1.048   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.556   0.150   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.136  -0.300   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.871   0.075   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.914   0.899   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.222   1.348   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.513   0.973   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       1.563  -0.375   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.298   0.000   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.990  -0.449   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.725  -0.075   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       3.768   0.749   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       3.076   1.198   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.341   0.824   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.417  -0.524   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       5.152  -0.150   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       5.844  -0.599   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       4.374  -1.348   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    3    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    4   11                                            
CONECT   11   10   12   13                                            
CONECT   12   11   14                                                 
CONECT   13   11                                                      
CONECT   14   12   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   16   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   23   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28                                                      
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D03IAB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.923  -0.563   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.923  -1.388   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.209  -1.801   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.494  -1.388   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.494  -0.563   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.209  -0.151   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.780  -0.151   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.065  -0.563   0.000  1.00  0.00           C  
HETATM    9  F   UNL     1      -4.638  -1.801   0.000  1.00  0.00           F  
HETATM   10  N   UNL     1      -0.351  -0.151   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -1.780   0.674   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.364  -0.563   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.078  -0.151   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.078   0.674   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.364   1.087   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.351   0.674   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.792   1.087   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.507   0.674   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.792   1.912   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       2.593  -0.146   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.400  -0.318   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.813   0.397   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1       3.261   1.010   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       4.638   0.397   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.614  -1.115   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1       3.827  -1.912   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1       2.899  -1.527   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       4.411  -1.328   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   11                                            
CONECT    8    7   10                                                 
CONECT    9    2                                                      
CONECT   10    8   12   16                                            
CONECT   11    7                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   10                                                 
CONECT   17   14   18   19                                            
CONECT   18   17   20   23                                            
CONECT   19   17                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23   24                                            
CONECT   23   22   18                                                 
CONECT   24   22                                                      
CONECT   25   21   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D03IMJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.292   0.652   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.292  -0.173   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.423  -0.585   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.137  -0.173   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.137   0.652   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       0.423   1.065   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.937   1.167   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.741   0.983   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.099   0.240   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.741  -0.503   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.937  -0.687   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.922   0.301   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.386  -0.380   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.029  -1.123   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.206  -1.185   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.493  -1.805   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.852   1.065   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.566   0.652   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.280   1.065   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.034   0.729   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       4.586   1.342   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1       4.174   2.057   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       3.367   1.885   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.206  -0.078   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.593  -0.630   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.764  -1.437   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.549  -1.692   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.162  -1.140   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.990  -0.333   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.754   2.437   0.000  1.00  0.00           C  
HETATM   31 CL   UNL     1       2.808  -0.375   0.000  1.00  0.00          Cl  
HETATM   32 CL   UNL     1       5.604   0.219   0.000  1.00  0.00          Cl  
HETATM   33  C   UNL     1       2.499   3.222   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.947   2.609   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1      -3.135  -2.548   0.000  1.00  0.00           O  
HETATM   36  N   UNL     1      -4.316  -1.743   0.000  1.00  0.00           N  
HETATM   37  S   UNL     1      -4.781  -2.425   0.000  1.00  0.00           S  
HETATM   38  C   UNL     1      -5.604  -2.363   0.000  1.00  0.00           C  
HETATM   39  O   UNL     1      -4.994  -3.222   0.000  1.00  0.00           O  
HETATM   40  O   UNL     1      -4.368  -3.140   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   17                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11   15                                            
CONECT   11   10    2                                                 
CONECT   12    9   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   10                                                 
CONECT   16   14   35   36                                            
CONECT   17    5   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   19   30                                            
CONECT   24   20   25   29                                            
CONECT   25   24   26   31                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24   32                                            
CONECT   30   23   33   34                                            
CONECT   31   25                                                      
CONECT   32   29                                                      
CONECT   33   30   34                                                 
CONECT   34   33   30                                                 
CONECT   35   16                                                      
CONECT   36   16   37                                                 
CONECT   37   36   38   39   40                                       
CONECT   38   37                                                      
CONECT   39   37                                                      
CONECT   40   37                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D03IZY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.168   0.014   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.546   0.427   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.261   0.014   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.261  -0.811   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.546  -1.223   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.168  -0.811   0.000  1.00  0.00           C  
HETATM    7 BR   UNL     1      -1.975   0.427   0.000  1.00  0.00          Br  
HETATM    8  C   UNL     1       0.813  -1.325   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.617  -1.142   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       1.975  -0.398   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.617   0.345   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.813   0.528   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.975  -1.223   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.600   1.325   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   13                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    3                                                      
CONECT    8    6    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    1   14                                            
CONECT   13    4                                                      
CONECT   14   12                                                      
MASTER        0    0    0    0    0    0    0    0   14    0   14    0
END
M  END

$$$$
D03JAZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.200   0.084   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.375   0.080   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.037   0.794   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.863   0.794   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.117   1.579   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.450   2.064   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.217   1.579   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.275   0.080   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.100   0.080   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.513  -0.635   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.513   0.794   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       2.100  -1.349   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.513  -2.064   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.337  -2.064   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.750  -1.349   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.337  -0.635   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.684   0.752   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.469   0.498   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.469  -0.327   0.000  1.00  0.00           C  
HETATM   20  S   UNL     1      -1.684  -0.583   0.000  1.00  0.00           S  
HETATM   21  C   UNL     1      -3.184   0.910   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.898   0.498   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.898  -0.327   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.184  -0.740   0.000  1.00  0.00           C  
HETATM   25 CL   UNL     1      -4.613  -0.740   0.000  1.00  0.00          Cl  
HETATM   26  O   UNL     1       3.898  -0.069   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       4.613  -0.481   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       2.042  -1.141   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       2.756  -1.554   0.000  1.00  0.00           C  
CONECT    1    2   17   20                                            
CONECT    2    1    3                                                 
CONECT    3    4    7    2                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    3                                                 
CONECT    8    9    4                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   12   16                                            
CONECT   11    9                                                      
CONECT   12   10   13   28                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   10   26                                            
CONECT   17    1   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20   24                                            
CONECT   20   19    1                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   19                                                 
CONECT   25   23                                                      
CONECT   26   16   27                                                 
CONECT   27   26                                                      
CONECT   28   12   29                                                 
CONECT   29   28                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D03JCI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNK A   0      -4.287   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNK A   0      -4.287   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNK A   0      -3.572   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNK A   0      -2.858   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNK A   0      -2.858   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNK A   0      -3.572   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNK A   0      -2.143   0.412   0.000  1.00  0.00           C  
HETATM    8  O   UNK A   0      -1.429   0.825   0.000  1.00  0.00           O  
HETATM    9  C   UNK A   0      -0.715   0.412   0.000  1.00  0.00           C  
HETATM   10  N   UNK A   1       0.000   0.825   0.000  1.00  0.00           N  
HETATM   11  C   UNK A   1       0.715   0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNK A   1       1.429   0.825   0.000  1.00  0.00           C  
ATOM     13  N   GLY A   2       2.143   0.412   0.000  1.00  0.00           N  
ATOM     14  CA  GLY A   2       2.858   0.825   0.000  1.00  0.00           C  
ATOM     15  C   GLY A   2       3.572   0.412   0.000  1.00  0.00           C  
ATOM     16  O   GLY A   2       4.287   0.825   0.000  1.00  0.00           O  
ATOM     17  OXT GLY A   2       3.572  -0.412   0.000  1.00  0.00           O  
HETATM   18  O   UNK A   1       1.429   1.650   0.000  1.00  0.00           O  
HETATM   19  O   UNK A   0      -0.715  -0.412   0.000  1.00  0.00           O  
HETATM   20  C   UNK A   1       0.715  -0.412   0.000  1.00  0.00           C  
HETATM   21  O   UNK A   1       1.429  -0.825   0.000  1.00  0.00           O  
HETATM   22  C   UNK A   1       1.429  -1.650   0.000  1.00  0.00           C  
HETATM   23  C   UNK A   1       2.143  -2.062   0.000  1.00  0.00           C  
HETATM   24  O   UNK A   1       0.715  -2.062   0.000  1.00  0.00           O  
HETATM   25  C   UNK A   1       2.858  -1.650   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   19                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   20                                            
CONECT   12   11   13   18                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15                                                      
CONECT   17   15                                                      
CONECT   18   12                                                      
CONECT   19    9                                                      
CONECT   20   11   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   25                                                 
CONECT   24   22                                                      
CONECT   25   23                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D03JCN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.572   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.071   1.905   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.556   1.238   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.071   0.570   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.326   2.690   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.572  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.714   0.412   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1      -2.143  -0.412   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.714  -0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.000  -0.825   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.714  -0.412   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       0.714   0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.000   0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.429  -0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.143  -0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.858  -0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.858  -1.650   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.572  -2.062   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.287  -1.650   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.287  -0.825   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.572  -0.412   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.071  -1.905   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       5.556  -1.238   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       5.071  -0.570   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       5.326  -2.690   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       3.572   0.412   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       2.143   0.412   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   11                                            
CONECT    4    3    5   12                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    7                                                      
CONECT   11    3                                                      
CONECT   12    4   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13   16   20                                            
CONECT   15   12                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   14                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23   34                                            
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28   31                                            
CONECT   28   27   23   33                                            
CONECT   29   26   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   27                                                 
CONECT   32   29                                                      
CONECT   33   28                                                      
CONECT   34   22                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D03JDH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.213   1.354   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.213   0.529   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.502   0.116   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.216   0.529   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.216   1.354   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.502   1.766   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.997   1.609   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.482   0.941   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.997   0.274   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.307   0.941   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.720   1.656   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.545   1.656   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.957   0.941   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.545   0.227   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.720   0.227   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.502   2.591   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.931   0.116   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.931  -0.709   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1       1.263  -1.194   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.518  -1.978   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.343  -1.978   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.598  -1.194   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.895  -2.591   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.702  -2.420   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.957  -1.635   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.405  -1.022   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   17                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   16                                            
CONECT    7    1    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    6                                                      
CONECT   17    4   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   18   26                                            
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   22                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D03JDR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.742   0.873   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.742   0.048   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.028  -0.365   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.314   0.048   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.314   0.873   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.028   1.285   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.527   1.128   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.012   0.460   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.527  -0.207   0.000  1.00  0.00           C  
HETATM   10  H   UNL     1      -2.782   1.912   0.000  1.00  0.00           H  
HETATM   11  C   UNL     1       0.401  -0.365   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.487  -1.185   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.294  -1.357   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.707  -0.642   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1       1.155  -0.029   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1       1.630  -2.110   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.527  -0.556   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       2.863   0.198   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       3.012  -1.223   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.028   2.110   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.203   2.110   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   11                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   20                                            
CONECT    7    1    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    7                                                      
CONECT   11    4   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   17                                            
CONECT   15   14   11                                                 
CONECT   16   13                                                      
CONECT   17   14   18   19                                            
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20    6   21                                                 
CONECT   21   20                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D03JHD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.209   1.606   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.495   2.019   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.780   1.606   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.066   2.019   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.351   1.606   0.000  1.00  0.00           N  
HETATM    6  O   UNL     1      -2.066   2.844   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.780   0.781   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.555   1.820   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.015   1.223   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.837   1.297   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.292   1.986   0.000  1.00  0.00           C  
HETATM   12  S   UNL     1       1.037   2.770   0.000  1.00  0.00           S  
HETATM   13  C   UNL     1       0.265   3.060   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.444   2.637   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.397   0.509   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.351   0.652   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.124   0.942   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.124   1.766   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.949   0.942   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.707   0.359   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.351  -0.173   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       0.555  -0.386   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       2.066  -0.585   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.066  -1.410   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.351  -1.823   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.351  -2.648   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.066  -3.060   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.780  -2.648   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.780  -1.823   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.495  -3.060   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.209  -2.648   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.209  -1.823   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.495  -1.410   0.000  1.00  0.00           C  
HETATM   34  H   UNL     1       1.875   2.569   0.000  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    6                                            
CONECT    5    4    8                                                 
CONECT    6    4                                                      
CONECT    7    3                                                      
CONECT    8    5    9   14                                            
CONECT    9    8   10   15                                            
CONECT   10    9   11   16                                            
CONECT   11   10   12   18   34                                       
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    8                                                 
CONECT   15    9                                                      
CONECT   16   10   17   21                                            
CONECT   17   16   18   19   20                                       
CONECT   18   17   11                                                 
CONECT   19   17                                                      
CONECT   20   17                                                      
CONECT   21   16   22   23                                            
CONECT   22   21                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28   24   33                                            
CONECT   30   28   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   29                                                 
CONECT   34   11                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D03JJW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  O   UNL     1      -5.378   0.590   0.000  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.581   0.376   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.367   1.173   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.164   1.387   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.570   0.960   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.357   1.757   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.154   1.970   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.642   2.169   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.928   1.757   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.928   0.932   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.214   0.519   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.499   0.932   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.499   1.757   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.214   2.169   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.215   0.519   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       0.930   0.932   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.727   0.718   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.940   1.515   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.143   1.729   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.655   1.927   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.369   1.515   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       2.655   2.752   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       3.369   0.690   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       4.154   0.435   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       4.639   1.102   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1       4.154   1.770   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       4.367  -0.362   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.784  -0.945   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.998  -1.742   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.794  -1.956   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.378  -1.372   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.164  -0.575   0.000  1.00  0.00           C  
HETATM   33 CL   UNL     1       5.008  -2.752   0.000  1.00  0.00          Cl  
CONECT    1    2    4                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    5    7                                       
CONECT    4    3    1                                                 
CONECT    5    3    6                                                 
CONECT    6    5    7    8                                            
CONECT    7    6    3                                                 
CONECT    8    6    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   16                                                 
CONECT   20   18   21   22                                            
CONECT   21   20   23   26                                            
CONECT   22   20                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   24   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D03JMZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       3.930   1.706   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       3.930   0.881   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       4.644   0.468   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       5.359   0.881   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       5.359   1.706   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       4.644   2.118   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       4.644  -0.357   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       5.359  -0.769   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       6.073  -0.357   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       6.073   0.468   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.215   0.468   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.501   0.881   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.786   0.468   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.072   0.881   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.357   0.468   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.357   0.881   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.072   0.468   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.786   0.881   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       1.786  -0.357   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.357   1.706   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.072  -0.485   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.357  -0.898   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.357  -1.723   0.000  1.00  0.00           N  
HETATM   24  O   UNL     1       0.357  -2.135   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       0.357  -2.961   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.357  -3.785   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.357  -3.373   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.072  -3.373   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.093   2.135   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.501   0.468   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.215   0.881   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.930   0.468   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.644   0.881   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.808   2.548   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.522   2.135   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.237   2.548   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.237   3.373   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       2.522   3.785   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       1.808   3.373   0.000  1.00  0.00           C  
HETATM   40  F   UNL     1       3.951   3.785   0.000  1.00  0.00           F  
HETATM   41  O   UNL     1       0.357  -0.485   0.000  1.00  0.00           O  
HETATM   42  O   UNL     1      -2.501  -0.357   0.000  1.00  0.00           O  
HETATM   43  C   UNL     1      -4.644   1.706   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.359   2.118   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.073   1.706   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.073   0.881   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1      -5.359   0.468   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    2   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   19                                            
CONECT   14   13   15   29                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18   21                                            
CONECT   18   17   30                                                 
CONECT   19   13                                                      
CONECT   20   16                                                      
CONECT   21   17   22                                                 
CONECT   22   21   23   41                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
CONECT   29   14   34                                                 
CONECT   30   18   31   42                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   43   47                                            
CONECT   34   29   35   39                                            
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38   40                                            
CONECT   38   37   39                                                 
CONECT   39   38   34                                                 
CONECT   40   37                                                      
CONECT   41   22                                                      
CONECT   42   30                                                      
CONECT   43   33   44                                                 
CONECT   44   43   45                                                 
CONECT   45   44   46                                                 
CONECT   46   45   47                                                 
CONECT   47   46   33                                                 
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
M  END

$$$$
D03JQL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.848   1.429   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.848   0.604   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.134   0.191   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.419   0.604   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.419   1.429   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.134   1.841   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.635   0.349   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.150   1.016   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.635   1.684   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.675   1.016   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.088   0.302   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1       1.088   1.731   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       1.913   0.302   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.325  -0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.913  -1.127   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.325  -1.841   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.150  -1.841   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.563  -1.127   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.150  -0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.325   1.016   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1      -3.563   1.841   0.000  1.00  0.00          Cl  
CONECT    1    2    6   21                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11   12                                            
CONECT   11   10   13                                                 
CONECT   12   10                                                      
CONECT   13   11   14   20                                            
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   13                                                      
CONECT   21    1                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D03JZP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.302   0.642   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.302  -0.183   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.587  -0.595   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.873  -0.183   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.873   0.642   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.587   1.054   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.159  -0.595   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.016   1.054   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.159  -1.420   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.444  -1.832   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.270  -1.420   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.270  -0.595   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.444  -0.183   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.984  -1.832   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.698  -1.420   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.413  -1.832   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.127  -1.420   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.698  -0.595   0.000  1.00  0.00           O  
HETATM   19  F   UNL     1       0.984  -0.183   0.000  1.00  0.00           F  
HETATM   20  O   UNL     1      -4.016  -0.595   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -4.730  -0.183   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.444  -0.595   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       3.881  -1.755   0.000  1.00  0.00           O  
HETATM   24  N   UNL     1       4.433  -1.143   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       4.020  -0.428   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.213  -0.600   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.356   0.325   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.871   0.993   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.176   0.412   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.691   1.079   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       5.444   0.743   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       5.027   1.832   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       3.938   1.414   0.000  1.00  0.00           F  
CONECT    1    2    6    8                                            
CONECT    2    1    3   20                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    9   13                                            
CONECT    8    1                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13   19                                            
CONECT   13   12    7                                                 
CONECT   14   11   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   23   26                                            
CONECT   18   15                                                      
CONECT   19   12                                                      
CONECT   20    2   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21                                                      
CONECT   23   17   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   17                                                 
CONECT   27   30   25   28   29                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   31   32   33   27                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D03KFN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.287   0.735   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.704   0.152   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.907   0.365   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.694   1.162   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.277   1.745   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.074   1.532   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -3.084   0.521   0.000  1.00  0.00          Cl  
HETATM    8  N   UNL     1       0.103   1.375   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.687   0.792   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.484   1.006   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       0.473  -0.005   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1       2.067   0.422   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.938  -0.393   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.673  -0.767   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.256  -0.184   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.882   0.551   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.246  -0.842   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.289  -1.666   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       2.024  -2.040   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       2.716  -1.591   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       3.451  -1.966   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       0.511  -0.467   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.181  -0.917   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.138  -1.741   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.597  -2.115   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.657   2.115   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.451   1.902   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6   26    5    1                                            
CONECT    7    1                                                      
CONECT    8    4    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   12                                                 
CONECT   11    9                                                      
CONECT   12   10   13   16                                            
CONECT   13   12   14   17                                            
CONECT   14   13   15   20                                            
CONECT   15   14   16                                                 
CONECT   16   15   12                                                 
CONECT   17   13   18   22                                            
CONECT   18   17   19   25                                            
CONECT   19   18   20                                                 
CONECT   20   19   14   21                                            
CONECT   21   20                                                      
CONECT   22   17   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   18                                                 
CONECT   26   27    6                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D03KKJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.579  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.579  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.865  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.150  -1.650   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.150  -0.825   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.865  -0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.865   0.412   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.564  -2.062   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.278  -1.650   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.993  -2.062   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.707  -1.650   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.150   0.825   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.579   0.825   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.564   0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.278   0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.278   1.650   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.564   2.062   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.150   1.650   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.865   2.062   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.295  -0.412   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1      -1.882   0.302   0.000  1.00  0.00           F  
HETATM   22  F   UNL     1      -1.581  -0.825   0.000  1.00  0.00           F  
HETATM   23  F   UNL     1      -2.707  -1.127   0.000  1.00  0.00           F  
CONECT    1    2    6   20                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6   12   13                                            
CONECT    8    4    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10                                                      
CONECT   12    7   14   18                                            
CONECT   13    7                                                      
CONECT   14   12   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   12   19                                            
CONECT   19   18                                                      
CONECT   20    1   21   22   23                                       
CONECT   21   20                                                      
CONECT   22   20                                                      
CONECT   23   20                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D03KNZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.715   0.206   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.000  -0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.715   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.429  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.143   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.858  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.572   0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.572   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.858   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.143   1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.572   0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.572  -1.444   0.000  1.00  0.00           C  
CONECT    1    2    6   17                                            
CONECT    2    1    3   18                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    1                                                      
CONECT   18    2                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D03KOH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.722   0.877   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.722   0.052   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.007  -0.361   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.707   0.052   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.707   0.877   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.007   1.289   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.422   1.289   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.136   0.877   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1       1.422   2.114   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.436  -0.361   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.190  -0.025   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.742  -0.638   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.329  -1.353   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1      -1.522  -1.181   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       2.136   0.052   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.851  -0.361   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.565   0.052   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.565   0.877   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.851   1.289   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       2.313  -2.114   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       1.598  -1.702   0.000  1.00  0.00           C  
HETATM   22  F   UNL     1       0.884  -2.114   0.000  1.00  0.00           F  
HETATM   23  F   UNL     1       1.598  -0.877   0.000  1.00  0.00           F  
HETATM   24  C   UNL     1      -3.565  -0.550   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1      -3.565   0.275   0.000  1.00  0.00           F  
HETATM   26  F   UNL     1      -2.740  -0.550   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1      -3.565  -1.375   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   15   19                                            
CONECT    9    7                                                      
CONECT   10    2   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   24                                            
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15    8   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18    8                                                 
CONECT   20   16   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24   12   25   26   27                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D03KWP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.469  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.469  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.754  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.040  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.040  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.754  -0.412   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -5.183  -2.062   0.000  1.00  0.00           F  
HETATM    8  C   UNL     1      -2.325  -0.412   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.611  -0.825   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.896  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.182  -0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.533  -0.412   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.533   0.412   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.182   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.896   0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.247   0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.962   0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.676   0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.676   1.650   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.962   2.062   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.247   1.650   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.461   0.570   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.946   1.238   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       3.461   1.905   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       3.716  -0.215   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.771   1.238   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       5.183   1.952   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.182   1.650   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   28                                            
CONECT   15   14   10                                                 
CONECT   16   13   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   18   23   25                                            
CONECT   23   22   24   26                                            
CONECT   24   23   19                                                 
CONECT   25   22                                                      
CONECT   26   23   27                                                 
CONECT   27   26                                                      
CONECT   28   14                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D03KYL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.660   1.644   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.948   2.055   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.236   1.644   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.236   0.822   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.476   0.411   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.188   0.822   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.188   1.644   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.476   2.055   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.900   0.411   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.612   0.822   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.612   1.644   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.900   2.055   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       3.324   2.055   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       4.036   1.644   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       3.324   2.877   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.900  -0.411   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.188  -0.822   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.188  -1.644   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.900  -2.055   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.612  -1.644   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.612  -0.822   0.000  1.00  0.00           N  
HETATM   22  F   UNL     1       1.900  -2.877   0.000  1.00  0.00           F  
HETATM   23  N   UNL     1      -2.411   1.979   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1      -2.961   1.368   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.550   0.656   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.746   0.827   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.884  -0.095   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.702  -0.181   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.219  -0.846   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.036  -0.932   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.401  -0.760   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1      -3.066  -1.244   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -1.918  -1.426   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -1.736  -0.277   0.000  1.00  0.00           F  
CONECT    1    2   23   26                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7    9                                            
CONECT    7    6    8   12                                            
CONECT    8    7    3                                                 
CONECT    9    6   10   16                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11    7                                                 
CONECT   13   11   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16    9   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   19                                                      
CONECT   23    1   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25    1                                                 
CONECT   27   31   25   28   29                                       
CONECT   28   27                                                      
CONECT   29   27   30                                                 
CONECT   30   29                                                      
CONECT   31   32   33   34   27                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D03LKM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.680   1.709   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.477   1.496   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.691   0.699   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.107   0.115   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.310   0.329   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.097   1.126   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.169   1.945   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.810   1.426   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.514   0.656   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.964  -0.036   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.788   0.007   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -5.237  -0.685   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.862  -1.420   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.039  -1.463   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.589  -0.771   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1      -0.300   1.339   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.341   0.820   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.033   1.270   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.820   2.066   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.004   2.110   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.454   2.801   0.000  1.00  0.00           O  
HETATM   22  N   UNL     1       1.803   0.974   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.932   0.159   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.703  -0.137   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       3.344   0.383   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       3.215   1.197   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.444   1.493   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.114   0.087   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.755   0.606   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       4.243  -0.728   0.000  1.00  0.00           O  
HETATM   31  N   UNL     1       5.552   0.393   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       6.001   1.084   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       5.482   1.726   0.000  1.00  0.00           C  
HETATM   34  S   UNL     1       4.712   1.430   0.000  1.00  0.00           S  
HETATM   35  C   UNL     1      -5.312  -2.112   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1      -6.001  -1.664   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -5.760  -2.801   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1      -4.622  -2.560   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   16                                            
CONECT    7    2    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    3   10                                            
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   35   12   14                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    6   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   16   21                                            
CONECT   21   20                                                      
CONECT   22   18   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   25   29   30                                            
CONECT   29   28   31   34                                            
CONECT   30   28                                                      
CONECT   31   29   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   36   37   38   13                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D03LZO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.114  -2.334   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.400  -1.922   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.685  -2.334   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.237  -1.922   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.237  -1.097   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.952  -0.685   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.666  -1.097   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -5.666  -1.922   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.952  -2.334   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.523  -0.685   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.523   0.140   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.237   0.553   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.952   0.140   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.971  -1.922   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.146  -1.922   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.072  -1.126   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.665  -0.553   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.146  -0.553   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.364  -1.349   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.379  -0.140   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       2.094  -0.553   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       2.808  -0.140   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.523  -0.553   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.237  -0.140   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.237   0.685   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.523   1.097   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.808   0.685   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       4.952  -0.553   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       5.666  -0.140   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       5.666   0.685   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       4.952   1.097   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       4.952   1.922   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       4.237   2.334   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.523   1.922   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.808   2.334   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.094   1.922   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       1.379   2.334   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       0.665   1.922   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       0.665   1.097   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       1.379   0.685   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       2.094   1.097   0.000  1.00  0.00           C  
CONECT    1    2    4                                                 
CONECT    2    1    3                                                 
CONECT    3    2   14                                                 
CONECT    4    1    5    9                                            
CONECT    5    4    6   10                                            
CONECT    6    5    7   13                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    4                                                 
CONECT   10    5   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    6                                                 
CONECT   14    3   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25   28                                            
CONECT   25   24   26   31                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   24   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   25   32                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37   41                                            
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41                                                 
CONECT   41   40   36                                                 
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D03MCC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.260   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.974  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.688   0.000   0.000  1.00  0.00           C  
HETATM    4  O   UNL     1       0.974  -1.237   0.000  1.00  0.00           O  
HETATM    5  O   UNL     1       2.442  -0.336   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1       2.994   0.278   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.581   0.992   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.775   0.820   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       3.814   0.191   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       4.150  -0.562   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       4.970  -0.648   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       5.455   0.019   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       5.119   0.772   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       4.299   0.859   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.260   0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.455   1.237   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.169   0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.169   0.000   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.455  -0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.883   1.237   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.597   0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.597   0.000   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.883  -0.412   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.312   1.237   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.026   0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.740   1.237   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.455   0.825   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.455   0.000   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.740  -0.412   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.026   0.000   0.000  1.00  0.00           C  
CONECT    1    2   15   19                                            
CONECT    2    1    3    4                                            
CONECT    3    2    5    8                                            
CONECT    4    2                                                      
CONECT    5    3    6                                                 
CONECT    6    5    7    9                                            
CONECT    7    6    8                                                 
CONECT    8    7    3                                                 
CONECT    9    6   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    1   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19   23                                            
CONECT   19   18    1                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D03MKE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.842  -0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.842  -1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.128  -1.856   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.413  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.413  -0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.128  -0.206   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.557  -1.856   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.699  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.016  -0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.730  -0.206   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.699  -1.856   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       1.445  -0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.159  -0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.159   0.619   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.445   1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.730   0.619   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.944   0.874   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       0.016   1.031   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.699   0.619   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.557   0.322   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.445   1.856   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   11                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   12   16                                            
CONECT   11    4                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16   21                                            
CONECT   16   15   10   18                                            
CONECT   17   14   20                                                 
CONECT   18   16   19                                                 
CONECT   19   18                                                      
CONECT   20   17                                                      
CONECT   21   15                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D03MKY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215   0.412   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -4.644   0.412   0.000  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -1.786   0.412   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.072   0.000   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -1.786   1.238   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.357   0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.357   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.072   0.412   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.786   0.000   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.786  -0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.501   0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.215   0.000   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.215  -0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.930  -1.238   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.644  -0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.644   0.000   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.930   0.412   0.000  1.00  0.00           C  
HETATM   23 CL   UNL     1      -4.644  -1.238   0.000  1.00  0.00          Cl  
CONECT    1    2    6    7                                            
CONECT    2    1    3   23                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    5    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23    2                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D03MMZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.103  -1.774   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.103  -2.599   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.389  -3.012   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.674  -2.599   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.674  -1.774   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.389  -1.362   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.890  -2.854   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -0.405  -2.187   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.890  -1.520   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.635  -3.639   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.389  -0.537   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.218  -4.222   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.162  -3.852   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.635  -0.735   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.172  -0.564   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.427   0.221   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.125   0.834   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.932   0.662   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.187  -0.122   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.130   1.618   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.454   2.201   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.240   2.998   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1      -1.250   1.988   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       0.557   3.212   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.140   2.628   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.937   2.842   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.150   3.639   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.567   4.222   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.770   4.008   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.520   2.259   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       1.937   1.675   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       3.103   1.675   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       3.103   2.842   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   14                                            
CONECT   10    7   12   13                                            
CONECT   11    6                                                      
CONECT   12   10                                                      
CONECT   13   10                                                      
CONECT   14    9   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   24                                                 
CONECT   23   21                                                      
CONECT   24   22   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   30   25   27                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   31   32   33   26                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D03MYI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.173   2.924   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.173   2.099   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.744   2.099   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.744   2.924   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.459   3.337   0.000  1.00  0.00           N  
HETATM    6  O   UNL     1      -0.030   3.337   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.888   3.337   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.030   1.687   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.030   0.862   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.685   0.449   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.685  -0.376   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       1.399   0.862   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.017  -0.861   0.000  1.00  0.00           C  
HETATM   14  S   UNL     1       0.272  -1.645   0.000  1.00  0.00           S  
HETATM   15  C   UNL     1       1.097  -1.645   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.352  -0.861   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.137  -0.606   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.582  -2.313   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.403  -2.227   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.247  -3.067   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.426  -3.153   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.091  -3.907   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       0.576  -4.574   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.396  -4.488   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.732  -3.734   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.888  -2.894   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.459   1.687   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.459   0.862   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.744   0.449   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.744  -0.376   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.685   2.924   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.399   3.337   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.114   2.924   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.828   3.337   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.828   4.162   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.114   4.574   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       1.399   4.162   0.000  1.00  0.00           C  
CONECT    1    2    5    7                                            
CONECT    2    1   27                                                 
CONECT    3    4    8   27                                            
CONECT    4    3    5    6                                            
CONECT    5    4    1                                                 
CONECT    6    4   31                                                 
CONECT    7    1                                                      
CONECT    8    3    9                                                 
CONECT    9    8   10   29                                            
CONECT   10    9   11   12                                            
CONECT   11   10   13   16                                            
CONECT   12   10                                                      
CONECT   13   11   14   30                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   11   17                                            
CONECT   17   16                                                      
CONECT   18   15   19   20                                            
CONECT   19   18   26                                                 
CONECT   20   18   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   19                                                      
CONECT   27    2    3   28                                            
CONECT   28   27                                                      
CONECT   29    9   30                                                 
CONECT   30   29   13                                                 
CONECT   31    6   32                                                 
CONECT   32   31   33   37                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   32                                                 
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D03NCL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.367   0.302   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.367  -0.523   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.653  -0.936   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.062  -0.523   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.062   0.302   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.653   0.714   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.082  -0.936   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.776   0.714   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.491   0.302   0.000  1.00  0.00           C  
HETATM   10  S   UNL     1       1.577  -0.519   0.000  1.00  0.00           S  
HETATM   11  C   UNL     1       2.384  -0.690   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.796   0.024   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.244   0.637   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       2.416   1.444   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1       2.719  -1.444   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.796  -0.523   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.082   0.714   0.000  1.00  0.00           O  
CONECT    1    2    6   17                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2   16                                                 
CONECT    8    5    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12    9   14                                            
CONECT   14   13                                                      
CONECT   15   11                                                      
CONECT   16    7                                                      
CONECT   17    1                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D03NHO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.715  -0.329   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.715  -1.154   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.000  -1.567   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.715  -1.154   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.715  -0.329   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.000   0.084   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.000   0.908   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.715   1.321   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.429   0.084   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.143  -0.329   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.429   0.908   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.143   1.321   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.858   0.084   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.572  -0.329   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.572  -1.154   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.858  -1.567   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.143  -1.154   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.429  -1.567   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.429   0.908   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.143   1.321   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.143   2.146   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.429   2.558   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       0.715   2.146   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       2.858   2.558   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       2.858   3.384   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.572   3.796   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.429  -2.392   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.715  -2.804   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.143  -1.154   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.143  -0.329   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -0.039  -2.468   0.000  1.00  0.00           N  
HETATM   32  N   UNL     1      -0.591  -3.082   0.000  1.00  0.00           N  
HETATM   33  N   UNL     1      -0.179  -3.796   0.000  1.00  0.00           N  
HETATM   34  N   UNL     1       0.628  -3.624   0.000  1.00  0.00           N  
CONECT    1    2    6    9                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   18                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7   19   23                                            
CONECT    9    1   10   11                                            
CONECT   10    9   13   17                                            
CONECT   11    9   12                                                 
CONECT   12   11                                                      
CONECT   13   10   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   10                                                 
CONECT   18    4   27   29                                            
CONECT   19    8   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22    8                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25                                                      
CONECT   27   18   28                                                 
CONECT   28   27   31   34                                            
CONECT   29   18   30                                                 
CONECT   30   29                                                      
CONECT   31   28   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   28                                                 
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D03NWT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.072   1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.072   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.357   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.357   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.357   1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.357   1.650   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.072   0.000   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.072  -0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.786   0.412   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       1.786   1.238   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       2.501   0.000   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.501  -0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.786   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.786  -0.825   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.501   0.412   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.501  -1.238   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.501  -2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.786  -2.475   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.072  -2.062   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.072  -1.238   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.357   2.475   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   21                                            
CONECT    7    4    8    9                                            
CONECT    8    7                                                      
CONECT    9    7   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   12                                                 
CONECT   12   11                                                      
CONECT   13    2   14   15                                            
CONECT   14   13   16   20                                            
CONECT   15   13                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   14                                                 
CONECT   21    6                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D03OBN
  -OEChem-09301911112D

 43 45  0     0  0  0  0  0  0999 V2000
    6.3871    2.5014    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.0864    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5622   -3.4524    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622   -1.7204    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.4136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0052    2.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962    3.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962    3.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -1.5614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -1.5614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.3059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.9962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -0.4787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -1.1690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    1.3885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    1.3885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.4505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.2236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.3767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.3964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.7764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.2064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    0.7236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5948    2.3098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0606    3.9540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3317    3.9540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 25  1  0  0  0  0
  2 20  1  0  0  0  0
  3 20  1  0  0  0  0
  4 20  1  0  0  0  0
  5 21  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 21  1  0  0  0  0
  8 40  1  0  0  0  0
  9 11  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 17  1  0  0  0  0
 16 19  2  0  0  0  0
 16 37  1  0  0  0  0
 17 18  2  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 39  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  2  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
M  END

$$$$
D03OIA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.139   1.826   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.139   1.001   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.424   0.589   0.000  1.00  0.00           N  
HETATM    4  N   UNL     1       0.290   1.001   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.290   1.826   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.424   2.239   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.075   0.746   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.560   1.414   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.075   2.081   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.330  -0.038   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.917  -0.753   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.330  -1.467   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.155  -1.467   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.567  -0.753   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.155  -0.038   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.853   0.589   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.853  -0.236   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.567  -0.649   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.853  -1.061   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.853  -1.886   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.394  -1.701   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       0.747  -2.051   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.832  -2.239   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   16                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    7   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   22                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    2   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   23                                                 
CONECT   21   22   23                                                 
CONECT   22   12   21                                                 
CONECT   23   20   21                                                 
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D03OLC
  -OEChem-09301911122D

 44 47  0     1  0  0  0  0  0999 V2000
    3.8763    0.0166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1551    1.7766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7731    1.7766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    3.3644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8256    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -0.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641    0.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4422    1.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    2.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7513    1.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1114    0.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2040    2.0856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7294    2.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0895    0.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3985    1.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.3644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.3644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3364    2.4453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9198   -0.2993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3956    2.6753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6144    2.2772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0124    1.4960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.9844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.7944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9210    2.7821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5044    0.0375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4272    3.6744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5010    3.6744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0050    1.5782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.4844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.2944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.4844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 16  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  2  0  0  0  0
  4 10  1  0  0  0  0
  4 38  1  0  0  0  0
  4 39  1  0  0  0  0
  5 24  1  0  0  0  0
  5 26  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 27  1  0  0  0  0
 12 17  1  0  0  0  0
 12 28  1  0  0  0  0
 13 19  1  0  0  0  0
 13 29  1  0  0  0  0
 14 20  2  0  0  0  0
 14 30  1  0  0  0  0
 15 18  1  0  0  0  0
 15 21  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  2  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 22  2  0  0  0  0
 19 36  1  0  0  0  0
 20 22  1  0  0  0  0
 20 37  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 40  1  0  0  0  0
 23 25  2  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 26  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
M  END

$$$$
D03OYJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.113   1.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.113   1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.398   0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.316   1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.316   1.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.398   2.269   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.398   3.094   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1      -0.398  -0.206   0.000  1.00  0.00           O  
HETATM    9  N   UNL     1      -1.827   2.269   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.542   1.856   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.256   2.269   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.971   1.856   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -4.685   2.269   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.971   1.031   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       1.030   0.619   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.827   0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.827  -0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.113  -0.619   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.113  -1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.398  -1.856   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.745   1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.459   0.619   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.745   1.856   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       2.459  -0.206   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.174  -0.619   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.888  -0.206   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.888   0.619   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.174   1.031   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.174  -1.444   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.459  -1.856   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.459  -2.681   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.745  -1.444   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.030  -1.856   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.030  -2.681   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1      -0.612  -2.653   0.000  1.00  0.00           O  
HETATM   36  O   UNL     1      -1.827  -1.856   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1      -2.542  -1.444   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.542  -0.619   0.000  1.00  0.00           C  
HETATM   39  O   UNL     1       3.888  -1.031   0.000  1.00  0.00           O  
HETATM   40  O   UNL     1       3.888  -1.856   0.000  1.00  0.00           O  
HETATM   41  C   UNL     1       4.685  -0.818   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       3.888  -2.681   0.000  1.00  0.00           C  
HETATM   43  O   UNL     1       3.174  -3.094   0.000  1.00  0.00           O  
HETATM   44  N   UNL     1       4.603  -3.094   0.000  1.00  0.00           N  
CONECT    1    2    6    9                                            
CONECT    2    1    3   16                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5   15                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    3                                                      
CONECT    9    1   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15    4   21                                                 
CONECT   16    2   17                                                 
CONECT   17   16   18   38                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   36                                            
CONECT   20   19   33   35                                            
CONECT   21   15   22   23                                            
CONECT   22   21   24   28                                            
CONECT   23   21                                                      
CONECT   24   22                                                      
CONECT   25   26   29   39                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   22                                                 
CONECT   29   25   30   40                                            
CONECT   30   29   31   32                                            
CONECT   31   30                                                      
CONECT   32   30   33                                                 
CONECT   33   32   20   34                                            
CONECT   34   33                                                      
CONECT   35   20                                                      
CONECT   36   19   37                                                 
CONECT   37   36                                                      
CONECT   38   17                                                      
CONECT   39   25   41                                                 
CONECT   40   29   42                                                 
CONECT   41   39                                                      
CONECT   42   40   43   44                                            
CONECT   43   42                                                      
CONECT   44   42                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
M  END

$$$$
D03PBI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.644   0.310   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.644  -0.515   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.929  -0.928   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.215  -0.515   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.215   0.310   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.929   0.722   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.430  -0.770   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -0.945  -0.103   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.430   0.565   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.175   1.349   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.368   1.521   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.184   0.908   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.991   1.079   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.246   1.864   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.694   2.477   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.113   2.305   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.929   1.547   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.053   2.035   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.175  -1.555   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.350  -1.555   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.233  -0.972   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       0.817  -0.388   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.660  -2.222   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.414  -2.558   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.746  -3.043   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       1.839   2.832   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       2.266   1.238   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.683   0.655   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.850   2.249   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1       3.062   1.455   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1       3.644   2.462   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       2.637   3.043   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   17                                            
CONECT    7    4    8   19                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    6                                                      
CONECT   18   29   14   26   27                                       
CONECT   19    7   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21                                                      
CONECT   23   19   24   25                                            
CONECT   24   23   25                                                 
CONECT   25   24   23                                                 
CONECT   26   18                                                      
CONECT   27   18   28                                                 
CONECT   28   27                                                      
CONECT   29   30   31   32   18                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D03PGC
  -OEChem-09301911222D

 47 49  0     0  0  0  0  0  0999 V2000
    2.5369   -0.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.3512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.1488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4497    4.4852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

$$$$
D03PLQ
  -OEChem-04152110502D

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M  END

$$$$
D03POM
  -OEChem-09301911222D

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M  END

$$$$
D03PQB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
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HETATM    2  C   UNL     1      -2.069  -0.379   0.000  1.00  0.00           C  
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HETATM    6  C   UNL     1      -3.306   0.335   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.517  -0.992   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.763  -0.657   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.849   0.164   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.431  -1.813   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.624  -1.984   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.211  -1.270   0.000  1.00  0.00           C  
HETATM   13  F   UNL     1      -1.486   1.633   0.000  1.00  0.00           F  
HETATM   14  C   UNL     1      -0.135   0.576   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.580   0.164   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.294   0.576   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       0.580  -0.661   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.009   0.164   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.723   0.576   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.723   1.401   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.009   1.814   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.294   1.401   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.520   1.241   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.053   1.540   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       3.306   1.984   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5   13                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8   10                                            
CONECT    8    7    9   12                                            
CONECT    9    8    3   14                                            
CONECT   10    7   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    8                                                 
CONECT   13    4                                                      
CONECT   14    9   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   18   22   23                                       
CONECT   17   15                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   24   25                                       
CONECT   21   20   22                                                 
CONECT   22   21   16                                                 
CONECT   23   16   24                                                 
CONECT   24   23   20                                                 
CONECT   25   20                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D03PQS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.148   0.235   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.862   0.648   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.577   0.235   0.000  1.00  0.00           C  
HETATM    4  O   UNL     1       0.862   1.473   0.000  1.00  0.00           O  
HETATM    5  C   UNL     1       1.577  -0.590   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.291  -1.002   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.006  -0.590   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.006   0.235   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.291   0.648   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       2.291   1.473   0.000  1.00  0.00           O  
HETATM   11  S   UNL     1       2.291  -1.827   0.000  1.00  0.00           S  
HETATM   12  C   UNL     1       3.006   1.885   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.006   2.710   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.291  -2.652   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       3.116  -1.827   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       1.466  -1.827   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.649   0.449   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.862  -0.348   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.066  -0.562   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.577  -0.761   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.291  -0.348   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.006  -0.761   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.006  -1.586   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.291  -1.998   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.577  -1.586   0.000  1.00  0.00           C  
HETATM   26 CL   UNL     1      -0.862  -1.998   0.000  1.00  0.00          Cl  
HETATM   27  C   UNL     1       3.720   1.473   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1       3.309   0.761   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1       4.432   1.062   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1       4.131   2.185   0.000  1.00  0.00           F  
HETATM   31  O   UNL     1       0.862  -1.002   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       0.862  -1.824   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.720  -1.998   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1      -4.131  -1.286   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -4.432  -2.409   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1      -3.309  -2.710   0.000  1.00  0.00           F  
CONECT    1    2   17   19                                            
CONECT    2    1    3    4                                            
CONECT    3    2    5    9                                            
CONECT    4    2                                                      
CONECT    5   31    3    6                                            
CONECT    6    5    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    3   10                                            
CONECT   10    9   12                                                 
CONECT   11    6   14   15   16                                       
CONECT   12   27   10   13                                            
CONECT   13   12                                                      
CONECT   14   11                                                      
CONECT   15   11                                                      
CONECT   16   11                                                      
CONECT   17    1   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18    1                                                 
CONECT   20   18   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   33   22   24                                            
CONECT   24   23   25                                                 
CONECT   25   24   20   26                                            
CONECT   26   25                                                      
CONECT   27   28   29   30   12                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
CONECT   31   32    5                                                 
CONECT   32   31                                                      
CONECT   33   34   35   36   23                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D03PRA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.080   1.482   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.259   1.525   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.046   2.319   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.736   2.767   0.000  1.00  0.00           N  
HETATM    5  N   UNL     1      -1.375   2.250   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.169   2.463   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.761   0.081   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.258   0.886   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.381  -0.845   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.175  -1.058   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.756  -0.476   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.544   0.318   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.749   0.530   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.168  -0.051   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1       4.125   0.899   0.000  1.00  0.00           S  
HETATM   16  N   UNL     1       4.706   1.480   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       3.544   1.480   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       4.706   0.318   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.583   0.081   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.994  -0.631   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.583  -1.343   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.761  -1.343   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.350  -0.631   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.528   0.793   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.350   0.793   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1       0.045   0.092   0.000  1.00  0.00           O  
HETATM   27  N   UNL     1       0.735  -0.355   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       1.374   0.162   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       1.079   0.929   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -3.994  -2.055   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -4.706  -1.644   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -4.405  -2.767   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -3.282  -2.466   0.000  1.00  0.00           F  
CONECT    1    2    5   24                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    1    6                                            
CONECT    6    5                                                      
CONECT    7   19   23   25                                            
CONECT    8    2   26   29                                            
CONECT    9   10   14                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9   28                                            
CONECT   15   16   17   18   12                                       
CONECT   16   15                                                      
CONECT   17   15                                                      
CONECT   18   15                                                      
CONECT   19    7   20                                                 
CONECT   20   19   21                                                 
CONECT   21   30   20   22                                            
CONECT   22   21   23                                                 
CONECT   23   22    7                                                 
CONECT   24   25    1                                                 
CONECT   25   24    7                                                 
CONECT   26    8   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   14                                            
CONECT   29   28    8                                                 
CONECT   30   31   32   33   21                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D03PSA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.179   0.434   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.179  -0.391   0.000  1.00  0.00           N  
HETATM    3  O   UNL     1      -0.394  -0.646   0.000  1.00  0.00           O  
HETATM    4  C   UNL     1       0.091   0.022   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.394   0.689   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.846   0.919   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.913   0.022   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.324  -0.690   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.324   0.734   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.913   1.446   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       0.094   1.446   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       1.323   2.155   0.000  1.00  0.00           O  
HETATM   13  S   UNL     1       2.143  -0.690   0.000  1.00  0.00           S  
HETATM   14  O   UNL     1       2.553   0.019   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.760   1.740   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.427   2.225   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.181   1.889   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.267   1.069   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.600   0.584   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.553  -1.400   0.000  1.00  0.00           C  
HETATM   21  S   UNL     1       1.734  -1.400   0.000  1.00  0.00           S  
HETATM   22  C   UNL     1       2.553  -2.225   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.267  -1.812   0.000  1.00  0.00           C  
CONECT    1    2    5    6                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    1                                                 
CONECT    6    1   15   19                                            
CONECT    7    4    8    9                                            
CONECT    8    7   13                                                 
CONECT    9    7   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13    8   14   20   21                                       
CONECT   14   13                                                      
CONECT   15    6   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18    6                                                 
CONECT   20   13   22   23                                            
CONECT   21   13                                                      
CONECT   22   20   23                                                 
CONECT   23   22   20                                                 
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D03PTG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1     -10.293  -0.685   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -9.579  -0.273   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -8.864  -0.685   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.150  -0.273   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -7.436  -0.685   0.000  1.00  0.00           N  
HETATM    6  O   UNL     1      -8.150   0.552   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -8.864  -1.510   0.000  1.00  0.00           C  
HETATM    8  C   UNL     2      -8.647   1.202   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.721  -0.273   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.007  -0.685   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -5.292  -0.273   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1      -6.007  -1.510   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -6.721   0.552   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.007   0.965   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.436   0.965   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.538  -0.608   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.986   0.005   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.399   0.720   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.206   0.548   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.387  -0.154   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.125   0.214   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.813  -0.241   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.552   0.127   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.240  -0.328   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.071  -1.373   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.276  -1.153   0.000  1.00  0.00           C  
HETATM   27  H   UNL     1      -5.083  -1.228   0.000  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.434   0.618   0.000  1.00  0.00           H  
HETATM   29  C   UNL     1      -6.721   1.377   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.374  -2.140   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -3.861  -2.786   0.000  1.00  0.00           N  
HETATM   32  O   UNL     1      -5.190  -2.261   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.164  -3.554   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.980  -3.675   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.283  -4.442   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.769  -5.088   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.954  -4.967   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.651  -4.200   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.440  -5.613   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.624  -5.492   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.321  -4.724   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.835  -4.078   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1      10.293   0.685   0.000  1.00  0.00           C  
HETATM   44  N   UNL     1       9.579   0.273   0.000  1.00  0.00           N  
HETATM   45  C   UNL     1       8.864   0.685   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1       8.150   0.273   0.000  1.00  0.00           C  
HETATM   47  N   UNL     1       7.436   0.685   0.000  1.00  0.00           N  
HETATM   48  O   UNL     1       8.150  -0.552   0.000  1.00  0.00           O  
HETATM   49  C   UNL     1       8.864   1.510   0.000  1.00  0.00           C  
HETATM   50  C   UNL     3       8.647  -1.202   0.000  1.00  0.00           C  
HETATM   51  C   UNL     1       6.721   0.273   0.000  1.00  0.00           C  
HETATM   52  C   UNL     1       6.007   0.685   0.000  1.00  0.00           C  
HETATM   53  N   UNL     1       5.292   0.273   0.000  1.00  0.00           N  
HETATM   54  O   UNL     1       6.007   1.510   0.000  1.00  0.00           O  
HETATM   55  C   UNL     1       6.721  -0.552   0.000  1.00  0.00           C  
HETATM   56  C   UNL     1       6.007  -0.965   0.000  1.00  0.00           C  
HETATM   57  C   UNL     1       7.436  -0.965   0.000  1.00  0.00           C  
HETATM   58  C   UNL     1       4.538   0.608   0.000  1.00  0.00           C  
HETATM   59  C   UNL     1       3.986  -0.005   0.000  1.00  0.00           C  
HETATM   60  C   UNL     1       4.399  -0.720   0.000  1.00  0.00           C  
HETATM   61  C   UNL     1       5.206  -0.548   0.000  1.00  0.00           C  
HETATM   62  C   UNL     1       0.387   0.154   0.000  1.00  0.00           C  
HETATM   63  N   UNL     1       1.125  -0.214   0.000  1.00  0.00           N  
HETATM   64  C   UNL     1       1.813   0.241   0.000  1.00  0.00           C  
HETATM   65  C   UNL     1       2.552  -0.127   0.000  1.00  0.00           C  
HETATM   66  N   UNL     1       3.240   0.328   0.000  1.00  0.00           N  
HETATM   67  C   UNL     1       4.071   1.373   0.000  1.00  0.00           C  
HETATM   68  C   UNL     1       3.276   1.153   0.000  1.00  0.00           C  
HETATM   69  H   UNL     1       5.083   1.228   0.000  1.00  0.00           H  
HETATM   70  H   UNL     1       3.434  -0.618   0.000  1.00  0.00           H  
HETATM   71  C   UNL     1       6.721  -1.377   0.000  1.00  0.00           C  
HETATM   72  C   UNL     1       4.374   2.140   0.000  1.00  0.00           C  
HETATM   73  N   UNL     1       3.861   2.786   0.000  1.00  0.00           N  
HETATM   74  O   UNL     1       5.190   2.261   0.000  1.00  0.00           O  
HETATM   75  C   UNL     1       4.164   3.554   0.000  1.00  0.00           C  
HETATM   76  C   UNL     1       4.980   3.675   0.000  1.00  0.00           C  
HETATM   77  C   UNL     1       5.283   4.442   0.000  1.00  0.00           C  
HETATM   78  C   UNL     1       4.769   5.088   0.000  1.00  0.00           C  
HETATM   79  C   UNL     1       3.954   4.967   0.000  1.00  0.00           C  
HETATM   80  C   UNL     1       3.651   4.200   0.000  1.00  0.00           C  
HETATM   81  C   UNL     1       3.440   5.613   0.000  1.00  0.00           C  
HETATM   82  C   UNL     1       2.624   5.492   0.000  1.00  0.00           C  
HETATM   83  C   UNL     1       2.321   4.724   0.000  1.00  0.00           C  
HETATM   84  C   UNL     1       2.835   4.078   0.000  1.00  0.00           C  
HETATM   85  O   UNL     1      -2.552   0.952   0.000  1.00  0.00           O  
HETATM   86  O   UNL     1      -0.387  -0.979   0.000  1.00  0.00           O  
HETATM   87  O   UNL     1       0.387   0.979   0.000  1.00  0.00           O  
HETATM   88  O   UNL     1       2.552  -0.952   0.000  1.00  0.00           O  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    6                                            
CONECT    5    4    9                                                 
CONECT    6    4                                                      
CONECT    7    3                                                      
CONECT    9    5   10   13                                            
CONECT   10    9   11   12                                            
CONECT   11   10   16   19                                            
CONECT   12   10                                                      
CONECT   13    9   14   15   29                                       
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   11   17   25   27                                       
CONECT   17   18   16   24   28                                       
CONECT   18   17   19                                                 
CONECT   19   18   11                                                 
CONECT   20   21   62   86                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   85                                            
CONECT   24   23   26   17                                            
CONECT   25   26   16   30                                            
CONECT   26   25   24                                                 
CONECT   27   16                                                      
CONECT   28   17                                                      
CONECT   29   13                                                      
CONECT   30   25   31   32                                            
CONECT   31   30   33                                                 
CONECT   32   30                                                      
CONECT   33   31   34   38                                            
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38   39                                            
CONECT   38   37   33   42                                            
CONECT   39   37   40                                                 
CONECT   40   39   41                                                 
CONECT   41   40   42                                                 
CONECT   42   41   38                                                 
CONECT   43   44                                                      
CONECT   44   43   45                                                 
CONECT   45   44   46   49                                            
CONECT   46   45   47   48                                            
CONECT   47   46   51                                                 
CONECT   48   46                                                      
CONECT   49   45                                                      
CONECT   51   47   52   55                                            
CONECT   52   51   53   54                                            
CONECT   53   52   58   61                                            
CONECT   54   52                                                      
CONECT   55   51   56   57   71                                       
CONECT   56   55                                                      
CONECT   57   55                                                      
CONECT   58   53   59   67   69                                       
CONECT   59   60   58   66   70                                       
CONECT   60   59   61                                                 
CONECT   61   60   53                                                 
CONECT   62   63   20   87                                            
CONECT   63   62   64                                                 
CONECT   64   63   65                                                 
CONECT   65   64   66   88                                            
CONECT   66   65   68   59                                            
CONECT   67   68   58   72                                            
CONECT   68   67   66                                                 
CONECT   69   58                                                      
CONECT   70   59                                                      
CONECT   71   55                                                      
CONECT   72   67   73   74                                            
CONECT   73   72   75                                                 
CONECT   74   72                                                      
CONECT   75   73   76   80                                            
CONECT   76   75   77                                                 
CONECT   77   76   78                                                 
CONECT   78   77   79                                                 
CONECT   79   78   80   81                                            
CONECT   80   79   75   84                                            
CONECT   81   79   82                                                 
CONECT   82   81   83                                                 
CONECT   83   82   84                                                 
CONECT   84   83   80                                                 
CONECT   85   23                                                      
CONECT   86   20                                                      
CONECT   87   62                                                      
CONECT   88   65                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
M  END

$$$$
D03PTY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.807   0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.807  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.093  -0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.378  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.378   0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.093   1.031   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.664  -0.619   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.664  -1.444   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.664   1.031   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.664   1.856   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.378   2.269   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.051   0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.765   1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.480   0.619   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.194   1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.194   1.856   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.480   2.269   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.765   1.856   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.378  -1.856   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.378  -2.681   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.664  -3.094   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.051  -2.681   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.051  -1.856   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.051   2.269   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1       0.051   3.094   0.000  1.00  0.00           F  
HETATM   26  O   UNL     1       1.651  -0.188   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       2.472  -0.275   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       2.807   0.479   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7   19   23                                            
CONECT    9    5   10   12                                            
CONECT   10    9   11   24                                            
CONECT   11   10                                                      
CONECT   12    9   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15   26                                            
CONECT   15   14   16   28                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19    8   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22    8                                                 
CONECT   24   10   25                                                 
CONECT   25   24                                                      
CONECT   26   14   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   15                                                 
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D03PYA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858  -0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858  -1.238   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -1.650   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429  -1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143   0.000   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.715   0.000   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       0.715   0.000   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1       0.000  -1.238   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.429  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.429  -1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.143  -1.650   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.858  -1.238   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.858  -0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.143   0.000   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.143   0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.429   1.238   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.858   1.238   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.143   1.650   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11   17                                            
CONECT   17   16   18   19   20                                       
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20   17                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D03PZZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.725  -0.523   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.725   0.302   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.010   0.714   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.296   0.302   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.296  -0.523   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.010  -0.936   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.439  -0.936   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.419   0.714   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.133   0.302   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.220  -0.519   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.026  -0.690   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.439   0.024   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.887   0.637   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       2.058   1.444   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1       2.362  -1.444   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       0.419  -0.936   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6   16                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    4    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12    9   14                                            
CONECT   14   13                                                      
CONECT   15   11                                                      
CONECT   16    5                                                      
MASTER        0    0    0    0    0    0    0    0   16    0   16    0
END
M  END

$$$$
D03QAU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.938   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.938   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.223   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.509   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.509   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.223   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.652   0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.223  -0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.938  -0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.938  -1.650   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.223  -2.062   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.509  -1.650   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.509  -0.825   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.722  -0.570   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.207  -1.238   0.000  1.00  0.00           C  
HETATM   16  S   UNL     1      -3.722  -1.905   0.000  1.00  0.00           S  
HETATM   17  C   UNL     1      -0.794  -0.412   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.794   0.412   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.080  -0.825   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.635  -0.412   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.349  -0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.064  -0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.778  -0.825   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       3.493  -0.412   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       4.207  -0.825   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    3    9   13                                            
CONECT    9    8   10   14                                            
CONECT   10    9   11   16                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8   17                                            
CONECT   14    9   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   10                                                 
CONECT   17   13   18   19                                            
CONECT   18   17                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D03QAW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.988   0.329   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.274   0.741   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.441   0.329   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       1.155   0.741   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       1.870   0.329   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       0.441  -0.496   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.703   0.741   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.916   1.538   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.740   1.581   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.036   0.811   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1      -2.394   0.292   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.189   2.273   0.000  1.00  0.00           C  
HETATM   13  F   UNL     1      -2.815   3.008   0.000  1.00  0.00           F  
HETATM   14  F   UNL     1      -4.013   2.230   0.000  1.00  0.00           F  
HETATM   15  F   UNL     1      -3.602   2.988   0.000  1.00  0.00           F  
HETATM   16  N   UNL     1      -2.394  -0.533   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.109  -0.946   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.109  -1.771   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.394  -2.183   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.680  -1.771   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.680  -0.946   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.394  -3.008   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.870  -0.496   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.584  -0.909   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.299  -0.496   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.299   0.329   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.584   0.741   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.013   0.741   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       4.013   1.566   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       3.299   1.979   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.584   1.566   0.000  1.00  0.00           C  
CONECT    1    2    7                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4   23   27                                            
CONECT    6    3                                                      
CONECT    7    1    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11                                                 
CONECT   11   10    7   16                                            
CONECT   12    9   13   14   15                                       
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15   12                                                      
CONECT   16   11   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   19                                                      
CONECT   23    5   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26    5   31                                            
CONECT   28   26   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   27                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D03QAY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858  -2.062   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858  -2.888   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -3.300   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429  -2.888   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429  -2.062   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143  -1.650   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -3.572  -1.650   0.000  1.00  0.00           F  
HETATM    8  O   UNL     1      -3.572  -3.300   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.714  -3.300   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.000  -2.888   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.714  -1.650   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.000  -2.062   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.714  -1.650   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.714  -0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.714  -0.825   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       1.499  -1.905   0.000  1.00  0.00           N  
HETATM   18  N   UNL     1       1.984  -1.238   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.499  -0.570   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.000   0.412   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.714   0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.714   1.650   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.429   2.062   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.429   2.888   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.714   3.300   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.000   2.888   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.000   2.062   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       2.143   1.650   0.000  1.00  0.00           N  
HETATM   29  S   UNL     1       2.858   2.062   0.000  1.00  0.00           S  
HETATM   30  C   UNL     1       2.143   0.825   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.572   2.475   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       3.270   1.348   0.000  1.00  0.00           O  
HETATM   33  O   UNL     1       2.445   2.777   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    2                                                      
CONECT    9    4   10                                                 
CONECT   10    9                                                      
CONECT   11    5   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15   19                                            
CONECT   15   14   16   20                                            
CONECT   16   15   11                                                 
CONECT   17   13   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   15   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   23   29   30                                            
CONECT   29   28   31   32   33                                       
CONECT   30   28                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
CONECT   33   29                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D03QMA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   0.412   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.357  -1.238   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.357  -0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.357   0.000   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.357   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.941   0.996   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.055   1.127   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.215  -1.238   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.072  -1.238   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.072  -2.062   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.786  -2.475   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.501  -2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.501  -1.238   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.786  -0.825   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       0.357  -2.475   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1       3.215  -2.475   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       1.072   0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.786   0.000   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.501   0.412   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.501   1.238   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.786   1.650   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.072   1.238   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       1.786   2.475   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1       3.215   0.000   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   14                                            
CONECT    9    8   10   22                                            
CONECT   10    9    5   11   12                                       
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13    2                                                      
CONECT   14    8   15   19                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   15                                                      
CONECT   21   17                                                      
CONECT   22    9   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   22                                                 
CONECT   28   26                                                      
CONECT   29   24                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D03RAU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.560   0.715   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.973   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       3.798   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       4.210   0.715   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       3.798   1.429   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.973   1.429   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1       5.035   0.715   0.000  1.00  0.00          Cl  
HETATM    8  C   UNL     1       1.735   0.715   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.323   1.429   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.498   1.429   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.085   0.715   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.498   0.000   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.323   0.000   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.085  -0.715   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.498  -1.429   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.323  -1.429   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.735  -2.143   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.560  -2.143   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       0.085   2.143   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.740   0.715   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.152   1.429   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.977   1.429   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1      -0.740   2.143   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.390   0.715   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.215   0.715   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.627   0.000   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.452   0.000   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.865   0.715   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1      -5.035  -0.583   0.000  1.00  0.00           O  
CONECT    1    2    6    8                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4                                                      
CONECT    8    1    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   19                                            
CONECT   11   10   12   20                                            
CONECT   12   11   13   14                                            
CONECT   13   12    8                                                 
CONECT   14   12   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17                                                      
CONECT   19   10                                                      
CONECT   20   11   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   24                                                 
CONECT   23   21                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27                                                      
CONECT   29   27                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D03RBY
  -OEChem-09301911282D

 60 63  0     0  0  0  0  0  0999 V2000
    8.0938   -1.4728    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8964    0.5634    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2585   -2.8817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.2498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6915   -1.0774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2437    0.9930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347   -0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9073    0.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4128   -0.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4951   -0.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0884   -1.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4896   -0.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8994   -2.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7404   -0.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6762   -2.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0774   -1.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6707   -2.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2530   -2.7772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8408   -3.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4646    0.6261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7364    0.9503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6650   -1.1826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2930   -2.1845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0283   -2.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5059   -1.9267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9320   -0.1788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1508   -0.5768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5489   -1.3581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4240   -2.7436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6940   -1.0944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.8962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8102   -2.5054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0821   -2.1812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3392   -3.9506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2052   -4.0878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3424   -3.2218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.6038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    3.5862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.2062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    3.5862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.2238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.2238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 24  1  0  0  0  0
  3 29  1  0  0  0  0
  4 26  1  0  0  0  0
  4 33  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  6 12  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 14  2  0  0  0  0
  8 17  1  0  0  0  0
  8 25  2  0  0  0  0
  9 17  2  0  0  0  0
  9 27  1  0  0  0  0
 10 25  1  0  0  0  0
 10 28  1  0  0  0  0
 10 48  1  0  0  0  0
 11 34  2  0  0  0  0
 11 35  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 17  1  0  0  0  0
 15 38  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 24  2  0  0  0  0
 22 45  1  0  0  0  0
 23 24  1  0  0  0  0
 23 46  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 47  1  0  0  0  0
 28 31  2  0  0  0  0
 28 32  1  0  0  0  0
 29 30  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
 30 51  1  0  0  0  0
 30 52  1  0  0  0  0
 30 53  1  0  0  0  0
 31 34  1  0  0  0  0
 31 54  1  0  0  0  0
 32 35  2  0  0  0  0
 32 55  1  0  0  0  0
 33 56  1  0  0  0  0
 33 57  1  0  0  0  0
 33 58  1  0  0  0  0
 34 59  1  0  0  0  0
 35 60  1  0  0  0  0
M  END

$$$$
D03RHV
  -OEChem-09301911262D

 48 49  0     0  0  0  0  0  0999 V2000
    2.5369   -3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909   -0.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924   -1.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810   -1.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796   -0.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6150   -2.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0135   -1.9873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0666   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7297    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9326    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249   -2.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264   -2.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8872   -0.1319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5072    0.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    4.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 45  1  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  2 34  1  0  0  0  0
  3 11  1  0  0  0  0
  3 16  1  0  0  0  0
  3 39  1  0  0  0  0
  4 12  2  0  0  0  0
  4 16  1  0  0  0  0
  5 16  2  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 22  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 15  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 44  1  0  0  0  0
 21 23  2  0  0  0  0
 21 46  1  0  0  0  0
 22 23  1  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
M  END

$$$$
D03ROY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429   1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.429   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.715   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.000   1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.715   1.650   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -2.143   1.650   0.000  1.00  0.00          Cl  
HETATM    8 CL   UNL     1      -0.715   2.475   0.000  1.00  0.00          Cl  
HETATM    9  C   UNL     1       0.715   0.000   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.715  -0.825   0.000  1.00  0.00           C  
HETATM   11  CA  UNL     1       1.429  -1.238   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.143  -0.825   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.143   0.000   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.429   0.412   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.429  -2.062   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.715  -2.475   0.000  1.00  0.00           O  
HETATM   17  OXT UNL     1       2.143  -2.475   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    1                                                      
CONECT    8    6                                                      
CONECT    9    4   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   11   16   17                                            
CONECT   16   15                                                      
CONECT   17   15                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D03RPJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.072   0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.072  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.357  -0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.357  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.357   0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.357   1.031   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.072  -0.619   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.072  -1.444   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       1.786   0.619   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       2.501  -0.619   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.501  -1.444   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.786  -0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.786  -1.444   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.501  -0.206   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.501  -1.856   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.501  -2.681   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.786  -3.094   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.072  -2.681   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.072  -1.856   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.357   1.856   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.072   2.269   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.786   1.856   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.072   3.094   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.786   1.031   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.501   2.269   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.786   2.681   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   21                                            
CONECT    7    4    8    9                                            
CONECT    8    7                                                      
CONECT    9    7   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   12                                                 
CONECT   12   11                                                      
CONECT   13    2   14   15                                            
CONECT   14   13   16   20                                            
CONECT   15   13                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   14                                                 
CONECT   21    6   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   25   26   27                                       
CONECT   24   22                                                      
CONECT   25   23                                                      
CONECT   26   23                                                      
CONECT   27   23                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D03RTM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.642   1.072   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.642   0.247   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.927  -0.166   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.213   0.247   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.213   1.072   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.927   1.484   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.428  -0.008   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.057   0.659   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.428   1.327   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -3.357   1.484   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.881   0.659   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.294  -0.055   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.119  -0.055   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.531   0.659   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.119   1.374   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.294   1.374   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.881  -0.770   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.294  -1.484   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.119  -1.484   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.531  -0.770   0.000  1.00  0.00           C  
HETATM   21 BR   UNL     1       3.357  -0.770   0.000  1.00  0.00          Br  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8    5                                                 
CONECT   10    1                                                      
CONECT   11    8   12   16                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14   20                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   12   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   13   21                                            
CONECT   21   20                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D03SCM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.714   0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.000  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.714   0.206   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       0.000  -1.031   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.429  -0.206   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.143   0.206   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.858  -0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.572   0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.572   1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.858   1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.143   1.031   0.000  1.00  0.00           C  
HETATM   18 BR   UNL     1      -3.572  -1.444   0.000  1.00  0.00          Br  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    2                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D03SHM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.860  -0.661   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.647   0.136   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.230   0.719   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.027   0.505   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.240  -0.291   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.657  -0.875   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.187   1.543   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.957   1.839   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.476   1.197   0.000  1.00  0.00           C  
HETATM   10  H   UNL     1      -5.037  -0.505   0.000  1.00  0.00           H  
HETATM   11  C   UNL     1      -1.850   0.349   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.266  -0.234   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.470  -0.021   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.245  -0.433   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.657   0.281   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.057   0.694   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.454   0.495   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.038  -0.088   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.824  -0.885   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.408  -1.469   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.204  -1.255   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.418  -0.458   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.834   0.125   0.000  1.00  0.00           C  
HETATM   24  H   UNL     1       3.048   0.922   0.000  1.00  0.00           H  
HETATM   25  H   UNL     1       3.788  -1.839   0.000  1.00  0.00           H  
HETATM   26  C   UNL     1       4.212  -0.243   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       4.212   0.582   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       5.037  -0.243   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1       4.212  -1.068   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    4                                                 
CONECT   10    5                                                      
CONECT   11    2   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   13                                                 
CONECT   17   15   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23   26                                            
CONECT   23   22   18   24                                            
CONECT   24   23                                                      
CONECT   25   21                                                      
CONECT   26   22   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D03SHV
  -OEChem-09301911272D

 41 43  0     0  0  0  0  0  0999 V2000
    5.4071   -1.2926    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7952    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1804   -5.8504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3614   -4.1278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2791   -3.9662    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.2952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.2952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6859   -3.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -2.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7791   -4.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3010   -4.1742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -2.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1100   -5.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1964   -5.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891   -1.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7736   -4.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1999   -3.3994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1166   -2.6067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8402   -3.7593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7336   -2.7453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2389   -6.1819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6595   -5.4787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1994   -1.1010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.9852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    3.6052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.6052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7970   -5.9152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.9152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.9852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.9152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 17  1  0  0  0  0
  2 23  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4 19  1  0  0  0  0
  4 38  1  0  0  0  0
  5 19  2  0  0  0  0
  6 20  2  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 27  1  0  0  0  0
  8 39  1  0  0  0  0
  8 40  1  0  0  0  0
  9 27  2  0  0  0  0
  9 41  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 12 19  1  0  0  0  0
 13 16  2  0  0  0  0
 13 30  1  0  0  0  0
 14 18  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  2  0  0  0  0
 17 20  1  0  0  0  0
 18 34  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 22 27  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 24 35  1  0  0  0  0
 25 36  1  0  0  0  0
 26 37  1  0  0  0  0
M  END

$$$$
D03SLR
  -OEChem-10101305022D

 24 24  0     0  0  0  0  0  0999 V2000
    2.8660   -2.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.1181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  2  9  1  0  0  0  0
  2 23  1  0  0  0  0
  3 14  1  0  0  0  0
  3 24  1  0  0  0  0
  4 14  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 15  1  0  0  0  0
  8 10  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  2  0  0  0  0
 11 18  1  0  0  0  0
 12 14  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
M  END

$$$$
D03SNE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.997   0.489   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.997  -0.336   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.711  -0.749   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.425  -0.336   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.425   0.489   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.711   0.901   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.384  -0.888   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.719  -1.642   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.540  -1.556   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.442  -0.888   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.926  -0.221   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.711  -0.476   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.711  -1.301   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.926  -1.556   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.425  -0.063   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.140  -0.476   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.140  -1.301   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.425  -1.713   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.671   0.564   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1      -1.386   0.976   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.172   1.773   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.376   1.987   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.756   2.357   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       0.306  -2.357   0.000  1.00  0.00           O  
HETATM   25 BR   UNL     1       3.140   0.901   0.000  1.00  0.00          Br  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   25                                            
CONECT    6    5    1                                                 
CONECT    7    2    8   10                                            
CONECT    8    7    9   24                                            
CONECT    9    8    3                                                 
CONECT   10    7   11   14                                            
CONECT   11   10   12   19                                            
CONECT   12   11   13   15                                            
CONECT   13   12   14   18                                            
CONECT   14   13   10                                                 
CONECT   15   12   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   11   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24    8                                                      
CONECT   25    5                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D03SZN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.001  -0.411   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.001  -1.236   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.287  -1.649   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.572  -1.236   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.572  -0.411   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.287   0.001   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.858  -1.649   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.143  -1.236   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.429  -1.649   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -2.143  -0.411   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.714  -1.236   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.000  -1.649   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.714  -1.236   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.714  -0.411   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.000   0.001   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.714  -0.411   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       1.429   0.001   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.143  -0.411   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.143  -1.236   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.858  -1.649   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.572  -1.236   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       3.572  -0.411   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.858   0.001   0.000  1.00  0.00           C  
HETATM   24 CL   UNL     1      -5.716   0.001   0.000  1.00  0.00          Cl  
HETATM   25  C   UNL     1       4.287   0.001   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       5.001  -0.411   0.000  1.00  0.00           N  
HETATM   27  O   UNL     1       4.287   0.826   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       5.716   0.001   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.287   0.826   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1      -3.465   0.826   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -4.287   1.649   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -5.109   0.826   0.000  1.00  0.00           F  
CONECT    1    2    6   24                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6   29    5    1                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   18                                                 
CONECT   24    1                                                      
CONECT   25   22   26   27                                            
CONECT   26   25   28                                                 
CONECT   27   25                                                      
CONECT   28   26                                                      
CONECT   29   30   31   32    6                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D03TCR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.653   1.757   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.938   2.169   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.224   1.757   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.224   0.932   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.509   0.519   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.795   0.932   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.795   1.757   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.509   2.169   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.081   0.519   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       0.634   0.932   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.431   0.718   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.644   1.515   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.847   1.729   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.359   1.927   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.073   1.515   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       2.359   2.752   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1       3.073   0.690   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       3.858   0.435   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       4.343   1.102   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1       3.858   1.770   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       4.071  -0.362   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.488  -0.945   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.702  -1.742   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.498  -1.956   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.082  -1.372   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.868  -0.575   0.000  1.00  0.00           C  
HETATM   27 CL   UNL     1       4.712  -2.752   0.000  1.00  0.00          Cl  
HETATM   28  C   UNL     1      -0.081   2.169   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.367   2.169   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.082   1.757   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -5.082   0.932   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.367   0.519   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.653   0.932   0.000  1.00  0.00           C  
CONECT    1    2   29   33                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7    9                                            
CONECT    7    6    8   28                                            
CONECT    8    7    3                                                 
CONECT    9    6   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   10                                                 
CONECT   14   12   15   16                                            
CONECT   15   14   17   20                                            
CONECT   16   14                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   24                                                      
CONECT   28    7                                                      
CONECT   29    1   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32    1                                                 
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D03TDK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.675   1.927   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.675   1.102   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.961   0.689   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.247   1.102   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.247   1.927   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.961   2.339   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.532   0.689   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.446  -0.131   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.639  -0.303   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.226   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.778   1.025   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.059  -0.683   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.844  -0.428   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.457  -0.980   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.285  -1.787   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.500  -2.042   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.887  -1.490   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -1.103  -1.745   0.000  1.00  0.00          Cl  
HETATM   19 CL   UNL     1      -3.898  -2.339   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1       0.594   0.498   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.930   1.252   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1       1.079  -0.169   0.000  1.00  0.00           N  
HETATM   23  S   UNL     1       1.755   1.252   0.000  1.00  0.00           S  
HETATM   24  N   UNL     1       2.469   0.839   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       0.667  -0.884   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       1.541   2.049   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1       2.338   1.835   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       2.469   0.014   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.184  -0.398   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.898   0.014   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.898   0.839   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.184   1.252   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   20                                            
CONECT   11   10    7                                                 
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   18                                            
CONECT   18   17                                                      
CONECT   19   15                                                      
CONECT   20   10   21   22                                            
CONECT   21   20   23                                                 
CONECT   22   20   25                                                 
CONECT   23   21   24   26   27                                       
CONECT   24   23   28   32                                            
CONECT   25   22                                                      
CONECT   26   23                                                      
CONECT   27   23                                                      
CONECT   28   24   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   24                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D03TEE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.624  -0.784   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.624  -1.609   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.909  -2.021   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.195  -1.609   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.195  -0.784   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.909  -0.371   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.427  -0.482   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.184   0.306   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.648   0.988   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.471   1.049   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.032   0.445   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.398  -1.822   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.052  -1.130   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.714   1.838   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.518   2.021   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.080   1.416   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.836   0.628   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.632   0.429   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.147  -0.216   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.962  -0.093   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.264   0.675   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.749   1.320   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.934   1.197   0.000  1.00  0.00           C  
HETATM   24  F   UNL     1       0.845  -0.984   0.000  1.00  0.00           F  
HETATM   25  O   UNL     1       3.080   0.798   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   12                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1   11                                            
CONECT    7    5    8   13                                            
CONECT    8    7    9   18                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10    6   17                                            
CONECT   12    4   13                                                 
CONECT   13   12    7                                                 
CONECT   14   10   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   11                                                 
CONECT   18    8   19   23                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   19                                                      
CONECT   25   21                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D03TFJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.694   1.903   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.694   1.078   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.021   0.665   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.735   1.078   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.735   1.903   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.021   2.316   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.520   0.823   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.005   1.490   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.520   2.158   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.408   0.665   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.775   0.038   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.122   1.078   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.837   0.665   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.837  -0.160   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.122  -0.572   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.408  -0.160   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.223  -0.575   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.478  -1.359   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.285  -1.531   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.837  -0.918   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.582  -0.133   0.000  1.00  0.00           C  
HETATM   22 XX   UNL     1       2.540  -2.316   0.000  1.00  0.00          Xx  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    2   12   16                                            
CONECT   11    7   17   21                                            
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   10                                                 
CONECT   17   11   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   11                                                 
CONECT   22   19                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D03TGG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.864   1.196   0.000  1.00  0.00           C  
HETATM    2  O   UNL     1      -6.276   0.481   0.000  1.00  0.00           O  
HETATM    3  C   UNL     1      -5.724  -0.132   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.970   0.204   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.057   1.024   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1      -6.199   1.950   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.217  -0.132   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.549   0.353   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.635   1.174   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.389   1.509   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.796   0.018   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.128   0.503   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.374   0.167   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.962  -0.547   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.146  -0.670   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.459  -0.109   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.227  -0.411   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.350  -1.226   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.872   0.104   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.640  -0.198   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.763  -1.013   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.531  -1.315   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.176  -0.800   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       4.053   0.015   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       3.285   0.317   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       4.944  -1.102   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       5.151  -1.900   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       5.975  -1.950   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1       6.276  -1.182   0.000  1.00  0.00           N  
HETATM   30  N   UNL     1       5.639  -0.658   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -0.791   0.750   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.046   0.605   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.130  -0.952   0.000  1.00  0.00           C  
CONECT    1    2    5    6                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    1   10                                            
CONECT    6    1                                                      
CONECT    7   33    4    8                                            
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    8   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   31                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   32                                            
CONECT   17   16   18   19                                            
CONECT   18   17                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   26                                                 
CONECT   31   13   32                                                 
CONECT   32   16   31                                                 
CONECT   33    7                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D03TKM
  -OEChem-09301911242D

 34 36  0     0  0  0  0  0  0999 V2000
    2.8660    2.6144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891   -1.9734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071   -1.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3582   -1.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -2.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5661   -0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1013   -2.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2603   -1.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5171   -0.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0524   -2.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -2.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2113   -0.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625   -3.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1053   -0.2713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9724   -2.9399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6460    0.2293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5131   -2.4393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7336   -3.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.1956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4029   -1.3270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8010   -0.5457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0197   -0.1476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.4244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.9244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 34  1  0  0  0  0
  2 21  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4 15  2  0  0  0  0
  5  8  2  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 16  1  0  0  0  0
  9 15  1  0  0  0  0
  9 22  1  0  0  0  0
 10 13  1  0  0  0  0
 10 23  1  0  0  0  0
 11 14  2  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 18  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  2  0  0  0  0
 16 28  1  0  0  0  0
 17 19  1  0  0  0  0
 17 21  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 20  2  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END

$$$$
D03TLQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -7.145   0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.430   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.716   0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.001   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.287   0.825   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.572   0.412   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.858   0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.429   0.825   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.715   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.000   0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.715   0.412   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.429   0.825   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.858   1.650   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.716   1.650   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -5.001  -0.412   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1      -4.287   1.650   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.572   2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.572   2.888   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.287   3.300   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -4.287   4.125   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1      -5.001   2.888   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.143  -0.412   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.715  -0.412   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.429  -0.825   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1       0.000  -0.825   0.000  1.00  0.00           N  
HETATM   27  O   UNL     1       0.715  -0.412   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -5.716  -0.825   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.287  -0.825   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.287  -1.650   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.572  -0.412   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -5.001  -2.062   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1      -3.572  -2.062   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1      -5.716  -1.650   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.572  -2.888   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1      -4.287  -3.300   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1      -2.858  -3.300   0.000  1.00  0.00           C  
HETATM   38  N   UNL     1      -2.858  -4.125   0.000  1.00  0.00           N  
HETATM   39  C   UNL     1      -2.143  -2.888   0.000  1.00  0.00           C  
HETATM   40  S   UNL     1      -2.143  -2.062   0.000  1.00  0.00           S  
HETATM   41  S   UNL     1      -1.429  -1.650   0.000  1.00  0.00           S  
HETATM   42  C   UNL     1      -0.715  -2.062   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       0.000  -1.650   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       0.715  -2.062   0.000  1.00  0.00           C  
HETATM   45  O   UNL     1       0.715  -2.888   0.000  1.00  0.00           O  
HETATM   46  N   UNL     1       1.429  -1.650   0.000  1.00  0.00           N  
HETATM   47  C   UNL     1       2.143  -2.062   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1       2.756  -1.510   0.000  1.00  0.00           C  
HETATM   49  C   UNL     1       2.421  -0.757   0.000  1.00  0.00           C  
HETATM   50  C   UNL     1       1.601  -0.843   0.000  1.00  0.00           C  
HETATM   51  C   UNL     1       2.143  -2.888   0.000  1.00  0.00           C  
HETATM   52  O   UNL     1       1.429  -3.300   0.000  1.00  0.00           O  
HETATM   53  N   UNL     1       2.858  -3.300   0.000  1.00  0.00           N  
HETATM   54  C   UNL     1       3.572  -2.888   0.000  1.00  0.00           C  
HETATM   55  C   UNL     1       3.572  -2.062   0.000  1.00  0.00           C  
HETATM   56  C   UNL     1       4.287  -1.650   0.000  1.00  0.00           C  
HETATM   57  C   UNL     1       4.287  -0.825   0.000  1.00  0.00           C  
HETATM   58  N   UNL     1       5.001  -0.412   0.000  1.00  0.00           N  
HETATM   59  C   UNL     1       5.826  -0.412   0.000  1.00  0.00           C  
HETATM   60  C   UNL     1       6.239  -1.127   0.000  1.00  0.00           C  
HETATM   61  C   UNL     1       6.239   0.302   0.000  1.00  0.00           C  
HETATM   62  C   UNL     1       4.287  -3.300   0.000  1.00  0.00           C  
HETATM   63  N   UNL     1       5.001  -2.888   0.000  1.00  0.00           N  
HETATM   64  C   UNL     1       5.716  -3.300   0.000  1.00  0.00           C  
HETATM   65  C   UNL     1       6.430  -2.888   0.000  1.00  0.00           C  
HETATM   66  O   UNL     1       6.430  -2.062   0.000  1.00  0.00           O  
HETATM   67  N   UNL     1       7.145  -3.300   0.000  1.00  0.00           N  
HETATM   68  C   UNL     1      -6.430  -0.412   0.000  1.00  0.00           C  
HETATM   69  C   UNL     1      -7.145  -0.825   0.000  1.00  0.00           C  
HETATM   70  C   UNL     1      -7.145  -1.650   0.000  1.00  0.00           C  
HETATM   71  C   UNL     1      -6.430  -2.062   0.000  1.00  0.00           C  
HETATM   72  O   UNL     1       4.287  -4.125   0.000  1.00  0.00           O  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4   15                                            
CONECT    4    3    5   16                                            
CONECT    5    4    6   17                                            
CONECT    6    5    7                                                 
CONECT    7    6    8   14                                            
CONECT    8    7    9   23                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   24                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   27                                            
CONECT   13   12                                                      
CONECT   14    7   18                                                 
CONECT   15    3                                                      
CONECT   16    4   29                                                 
CONECT   17    5                                                      
CONECT   18   14   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20                                                      
CONECT   22   20                                                      
CONECT   23    8                                                      
CONECT   24   10   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   43                                                 
CONECT   27   12                                                      
CONECT   28   34   68                                                 
CONECT   29   16   30   31                                            
CONECT   30   29   32   33                                            
CONECT   31   29                                                      
CONECT   32   30   34                                                 
CONECT   33   30   35                                                 
CONECT   34   32   28   71                                            
CONECT   35   33   36   37                                            
CONECT   36   35                                                      
CONECT   37   35   38   39                                            
CONECT   38   37                                                      
CONECT   39   37   40                                                 
CONECT   40   39   41                                                 
CONECT   41   40   42                                                 
CONECT   42   41   43                                                 
CONECT   43   42   26   44                                            
CONECT   44   43   45   46                                            
CONECT   45   44                                                      
CONECT   46   44   47   50                                            
CONECT   47   46   48   51                                            
CONECT   48   47   49                                                 
CONECT   49   48   50                                                 
CONECT   50   49   46                                                 
CONECT   51   47   52   53                                            
CONECT   52   51                                                      
CONECT   53   51   54                                                 
CONECT   54   53   55   62                                            
CONECT   55   54   56                                                 
CONECT   56   55   57                                                 
CONECT   57   56   58                                                 
CONECT   58   57   59                                                 
CONECT   59   58   60   61                                            
CONECT   60   59                                                      
CONECT   61   59                                                      
CONECT   62   54   63   72                                            
CONECT   63   62   64                                                 
CONECT   64   63   65                                                 
CONECT   65   64   66   67                                            
CONECT   66   65                                                      
CONECT   67   65                                                      
CONECT   68   28   69                                                 
CONECT   69   68   70                                                 
CONECT   70   69   71                                                 
CONECT   71   70   34                                                 
CONECT   72   62                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
M  END

$$$$
D03TPE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.424   0.617   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.424  -0.205   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.712  -0.617   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000  -0.205   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.000   0.617   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.712   1.028   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.712  -0.617   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.424  -0.205   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.424   0.617   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.712   1.028   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -0.712   1.850   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.712  -1.439   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       0.000  -1.850   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1       1.424  -1.850   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    6                                                      
CONECT   12    7   13   14                                            
CONECT   13   12                                                      
CONECT   14   12                                                      
MASTER        0    0    0    0    0    0    0    0   14    0   14    0
END
M  END

$$$$
D03TQU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.925  -4.848   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.210  -4.436   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.496  -4.848   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.781  -4.436   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.067  -4.848   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.352  -4.436   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.638  -4.848   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.923  -4.436   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.352  -3.611   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.638  -3.198   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.067  -3.198   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.352  -2.786   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.638  -5.673   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -4.496  -5.673   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.781  -3.611   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.209  -4.848   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.505  -4.436   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.505  -3.611   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.209  -3.198   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.923  -3.611   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.220  -3.198   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.220  -2.373   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.505  -1.961   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.209  -2.373   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.209  -5.673   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.923  -6.086   0.000  1.00  0.00           O  
HETATM   27  N   UNL     1       0.505  -6.086   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       0.505  -6.911   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.209  -7.323   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.209  -8.148   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.505  -8.561   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.220  -8.148   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.220  -7.323   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.935  -8.561   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.649  -8.148   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.649  -7.323   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       1.935  -6.911   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1       0.505  -1.136   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1       1.220  -0.723   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       1.220   0.102   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       1.935   0.514   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       1.935   1.339   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       1.220   1.752   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       0.505   1.339   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1       0.505   0.514   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1       1.220   2.577   0.000  1.00  0.00           C  
HETATM   47  O   UNL     1       0.423   2.790   0.000  1.00  0.00           O  
HETATM   48  N   UNL     1       1.935   2.989   0.000  1.00  0.00           N  
HETATM   49  C   UNL     1       1.935   3.814   0.000  1.00  0.00           C  
HETATM   50  C   UNL     1       2.518   4.397   0.000  1.00  0.00           C  
HETATM   51  N   UNL     1       2.143   5.133   0.000  1.00  0.00           N  
HETATM   52  C   UNL     1       1.329   5.003   0.000  1.00  0.00           C  
HETATM   53  C   UNL     1       1.199   4.189   0.000  1.00  0.00           C  
HETATM   54  C   UNL     1       5.925   8.561   0.000  1.00  0.00           C  
HETATM   55  N   UNL     1       5.645   7.785   0.000  1.00  0.00           N  
HETATM   56  C   UNL     1       4.833   7.639   0.000  1.00  0.00           C  
HETATM   57  C   UNL     1       4.553   6.863   0.000  1.00  0.00           C  
HETATM   58  N   UNL     1       3.741   6.717   0.000  1.00  0.00           N  
HETATM   59  C   UNL     1       3.461   5.941   0.000  1.00  0.00           C  
HETATM   60  C   UNL     1       3.993   5.311   0.000  1.00  0.00           C  
HETATM   61  C   UNL     1       3.713   4.535   0.000  1.00  0.00           C  
HETATM   62  C   UNL     1       4.805   5.457   0.000  1.00  0.00           C  
HETATM   63  C   UNL     1       4.525   4.681   0.000  1.00  0.00           C  
HETATM   64  C   UNL     1       4.301   8.270   0.000  1.00  0.00           C  
HETATM   65  O   UNL     1       5.085   6.233   0.000  1.00  0.00           O  
HETATM   66  C   UNL     1       2.518   5.868   0.000  1.00  0.00           C  
HETATM   67  O   UNL     1       2.068   6.560   0.000  1.00  0.00           O  
HETATM   68  C   UNL     1       0.745   5.587   0.000  1.00  0.00           C  
HETATM   69  N   UNL     1      -0.052   5.373   0.000  1.00  0.00           N  
HETATM   70  O   UNL     1       1.158   6.301   0.000  1.00  0.00           O  
HETATM   71  C   UNL     1      -0.635   5.957   0.000  1.00  0.00           C  
HETATM   72  C   UNL     1      -0.425   6.755   0.000  1.00  0.00           C  
HETATM   73  C   UNL     1      -1.011   7.335   0.000  1.00  0.00           C  
HETATM   74  C   UNL     1      -1.807   7.119   0.000  1.00  0.00           C  
HETATM   75  C   UNL     1      -2.017   6.321   0.000  1.00  0.00           C  
HETATM   76  C   UNL     1      -1.431   5.740   0.000  1.00  0.00           C  
HETATM   77  C   UNL     1      -2.813   6.104   0.000  1.00  0.00           C  
HETATM   78  C   UNL     1      -3.023   5.306   0.000  1.00  0.00           C  
HETATM   79  C   UNL     1      -2.437   4.725   0.000  1.00  0.00           C  
HETATM   80  C   UNL     1      -1.641   4.942   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4   14                                            
CONECT    4    3    5   15                                            
CONECT    5    4    6                                                 
CONECT    6    5    7    9                                            
CONECT    7    6    8   13                                            
CONECT    8    7   16   20                                            
CONECT    9    6   10   11   12                                       
CONECT   10    9                                                      
CONECT   11    9                                                      
CONECT   12    9                                                      
CONECT   13    7                                                      
CONECT   14    3                                                      
CONECT   15    4                                                      
CONECT   16    8   17   25                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20   24                                            
CONECT   20   19    8                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   38                                            
CONECT   24   23   19                                                 
CONECT   25   16   26   27                                            
CONECT   26   25                                                      
CONECT   27   25   28                                                 
CONECT   28   27   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   34                                            
CONECT   33   32   28   37                                            
CONECT   34   32   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   33                                                 
CONECT   38   23   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41   45                                            
CONECT   41   40   42                                                 
CONECT   42   41   43                                                 
CONECT   43   42   44   46                                            
CONECT   44   43   45                                                 
CONECT   45   44   40                                                 
CONECT   46   43   47   48                                            
CONECT   47   46                                                      
CONECT   48   46   49                                                 
CONECT   49   48   50   53                                            
CONECT   50   49   51                                                 
CONECT   51   50   52   66                                            
CONECT   52   51   53   68                                            
CONECT   53   52   49                                                 
CONECT   54   55                                                      
CONECT   55   54   56                                                 
CONECT   56   55   57   64                                            
CONECT   57   56   58   65                                            
CONECT   58   57   59                                                 
CONECT   59   58   60   66                                            
CONECT   60   59   61   62   63                                       
CONECT   61   60                                                      
CONECT   62   60                                                      
CONECT   63   60                                                      
CONECT   64   56                                                      
CONECT   65   57                                                      
CONECT   66   51   67   59                                            
CONECT   67   66                                                      
CONECT   68   52   69   70                                            
CONECT   69   68   71                                                 
CONECT   70   68                                                      
CONECT   71   69   72   76                                            
CONECT   72   71   73                                                 
CONECT   73   72   74                                                 
CONECT   74   73   75                                                 
CONECT   75   74   76   77                                            
CONECT   76   75   71   80                                            
CONECT   77   75   78                                                 
CONECT   78   77   79                                                 
CONECT   79   78   80                                                 
CONECT   80   79   76                                                 
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
M  END

$$$$
D03TTE
  -OEChem-09301911122D

 62 65  0     0  0  0  0  0  0999 V2000
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    2.0000   -0.2742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8882   -1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7942   -1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7702   -0.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6535    3.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7942   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4171   -2.4808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7889    3.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8810    0.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -0.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0862   -1.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8592   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7062   -2.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5722    1.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7991    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9522    2.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4206   -3.8279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2701   -3.6108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0530   -2.7613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7011   -2.7341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4644   -3.5783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3086   -3.8150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2377    3.8279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3882    3.6108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6054    2.7613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9572    2.7341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1940    3.5783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3497    3.8150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6651    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9932   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5913   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0671    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 59  1  0  0  0  0
  2 20  1  0  0  0  0
  2 60  1  0  0  0  0
  3 23  1  0  0  0  0
  3 61  1  0  0  0  0
  4 24  1  0  0  0  0
  4 62  1  0  0  0  0
  5 25  2  0  0  0  0
  6 26  2  0  0  0  0
  7 35  2  0  0  0  0
  8 36  2  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 19  2  0  0  0  0
 10 18  1  0  0  0  0
 10 20  2  0  0  0  0
 11 13  2  0  0  0  0
 11 15  1  0  0  0  0
 11 23  1  0  0  0  0
 12 14  2  0  0  0  0
 12 16  1  0  0  0  0
 12 24  1  0  0  0  0
 13 21  1  0  0  0  0
 13 25  1  0  0  0  0
 14 22  1  0  0  0  0
 14 26  1  0  0  0  0
 15 19  1  0  0  0  0
 15 27  2  0  0  0  0
 16 20  1  0  0  0  0
 16 28  2  0  0  0  0
 17 23  2  0  0  0  0
 17 29  1  0  0  0  0
 18 24  2  0  0  0  0
 18 30  1  0  0  0  0
 21 31  1  0  0  0  0
 21 32  1  0  0  0  0
 21 37  1  0  0  0  0
 22 33  1  0  0  0  0
 22 34  1  0  0  0  0
 22 38  1  0  0  0  0
 25 35  1  0  0  0  0
 26 36  1  0  0  0  0
 27 35  1  0  0  0  0
 27 39  1  0  0  0  0
 28 36  1  0  0  0  0
 28 40  1  0  0  0  0
 29 41  1  0  0  0  0
 29 42  1  0  0  0  0
 29 43  1  0  0  0  0
 30 44  1  0  0  0  0
 30 45  1  0  0  0  0
 30 46  1  0  0  0  0
 31 47  1  0  0  0  0
 31 48  1  0  0  0  0
 31 49  1  0  0  0  0
 32 50  1  0  0  0  0
 32 51  1  0  0  0  0
 32 52  1  0  0  0  0
 33 53  1  0  0  0  0
 33 54  1  0  0  0  0
 33 55  1  0  0  0  0
 34 56  1  0  0  0  0
 34 57  1  0  0  0  0
 34 58  1  0  0  0  0
M  END

$$$$
D03TWD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.426   1.808   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.426   0.983   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.712   0.570   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.998   0.983   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.998   1.808   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.712   2.220   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.141   2.220   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -5.855   1.808   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.855   0.983   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.141   0.570   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.283   0.570   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.283  -0.255   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.569  -0.667   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.854  -0.255   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.854   0.570   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.569   0.983   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.569   1.808   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.140   0.983   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       0.575   0.570   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       1.289   0.983   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.004   0.570   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.718   0.983   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.718   1.808   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.004   2.220   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.289   1.808   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       3.433   0.570   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       3.433  -0.255   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.718  -0.667   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.433   2.220   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       4.147   1.808   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       2.004  -0.255   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.289  -0.667   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.289  -1.492   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.004  -1.905   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.718  -1.492   0.000  1.00  0.00           C  
HETATM   36 CL   UNL     1       0.575   2.220   0.000  1.00  0.00          Cl  
HETATM   37  C   UNL     1       4.233   0.987   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       5.040   0.816   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       5.453   1.530   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       4.901   2.143   0.000  1.00  0.00           C  
HETATM   41  O   UNL     1       5.376   0.062   0.000  1.00  0.00           O  
HETATM   42  C   UNL     1       2.003  -2.727   0.000  1.00  0.00           C  
HETATM   43  N   UNL     1       1.178  -2.727   0.000  1.00  0.00           N  
HETATM   44  C   UNL     1       5.272   2.727   0.000  1.00  0.00           C  
HETATM   45  O   UNL     1       5.855   2.144   0.000  1.00  0.00           O  
HETATM   46  O   UNL     1       4.487   2.472   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   11                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    2                                                 
CONECT   11    4   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   11   17                                            
CONECT   17   16                                                      
CONECT   18   15   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24   29                                            
CONECT   24   23   25                                                 
CONECT   25   24   20   36                                            
CONECT   26   22   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   31   35                                            
CONECT   29   23   30                                                 
CONECT   30   29   37   40                                            
CONECT   31   28   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   42                                            
CONECT   35   34   28                                                 
CONECT   36   25                                                      
CONECT   37   30   38                                                 
CONECT   38   37   39   41                                            
CONECT   39   38   40                                                 
CONECT   40   39   30   44                                            
CONECT   41   38                                                      
CONECT   42   34   43                                                 
CONECT   43   42                                                      
CONECT   44   40   45   46                                            
CONECT   45   44                                                      
CONECT   46   44                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END

$$$$

$$$$

$$$$
D03TZE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.400   3.165   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.400   2.340   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.686   1.928   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.971   2.340   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.971   3.165   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.686   3.578   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.686   1.103   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.971   0.690   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.257   1.103   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.542   0.690   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.971  -0.135   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1      -2.686  -0.547   0.000  1.00  0.00           O  
HETATM   13  N   UNL     1      -0.542  -0.135   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.172  -0.547   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.071   1.242   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1      -0.265   1.996   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1      -1.085   1.910   0.000  1.00  0.00           N  
HETATM   18  F   UNL     1      -2.686   4.403   0.000  1.00  0.00           F  
HETATM   19 BR   UNL     1      -4.114   3.578   0.000  1.00  0.00          Br  
HETATM   20  C   UNL     1      -0.041  -1.344   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.542  -1.928   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       0.542  -2.753   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.257  -3.165   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.172  -3.165   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       1.257  -3.990   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.971  -4.403   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.686  -3.990   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.686  -3.165   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.971  -2.753   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.400  -4.403   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.114  -3.990   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       4.114  -3.165   0.000  1.00  0.00           O  
HETATM   33  B   UNL     1       3.400  -2.753   0.000  1.00  0.00           B  
HETATM   34  O   UNL     1       3.400  -1.928   0.000  1.00  0.00           O  
CONECT    1    2    6   19                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   18                                            
CONECT    7    3    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10   17                                            
CONECT   10    9   13   15                                            
CONECT   11    8   12                                                 
CONECT   12   11                                                      
CONECT   13   10   14                                                 
CONECT   14   13   20                                                 
CONECT   15   10   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16    9                                                 
CONECT   18    6                                                      
CONECT   19    1                                                      
CONECT   20   14   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   25   29                                            
CONECT   24   22                                                      
CONECT   25   23   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29   33                                            
CONECT   29   28   23                                                 
CONECT   30   27   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   28   34                                            
CONECT   34   33                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D03UAE
  -OEChem-09301911182D

 60 63  0     1  0  0  0  0  0999 V2000
    2.7457   -1.7246    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.5278   -2.1569    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2240   -1.6094    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0754   -0.8530    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.7688    1.7132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4914   -2.3909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1448    0.0117    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.1175   -0.4029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6175    1.1360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.5171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4275    1.1757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4419    0.7804    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7399    1.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4265    0.5482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8229   -0.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8024   -1.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1175   -0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8084    0.5482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0622    2.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7156    1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1222    0.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4325   -1.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7930    0.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4120   -0.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0901    0.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0768    0.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7715   -0.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9228    1.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4048    1.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1497   -1.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3896    2.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4560    0.3340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0795   -2.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0471    0.9152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1350    1.5991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8414   -1.5986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4367   -1.0668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2725   -1.5094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0288   -1.7648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5181    2.8905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6420    2.9263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6063    2.0502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8515    1.3493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3205    2.0901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5797    2.5591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6309   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6083    1.3723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4842    0.1430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5942    1.9777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9142    2.3565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0591    2.5505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8651    1.6954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9315    0.0034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7866   -0.1906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9805    0.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6171   -2.0573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6664   -2.9327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5418   -2.8834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7448    2.3327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  1 25  1  0  0  0  0
  1 34  1  0  0  0  0
  2 31  1  0  0  0  0
  3 31  1  0  0  0  0
  4 31  1  0  0  0  0
  5 29  1  0  0  0  0
  5 60  1  0  0  0  0
  8 13  1  0  0  0  0
  8 16  1  0  0  0  0
  8 22  1  0  0  0  0
  9 15  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 15  2  0  0  0  0
 10 19  1  0  0  0  0
 11 22  1  0  0  0  0
 11 28  2  0  0  0  0
 12 22  2  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 35  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
 14 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 23 25  2  0  0  0  0
 23 47  1  0  0  0  0
 24 26  2  0  0  0  0
 24 48  1  0  0  0  0
 25 26  1  0  0  0  0
 26 49  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  2  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
 29 33  1  0  0  0  0
 30 50  1  0  0  0  0
 32 51  1  0  0  0  0
 32 52  1  0  0  0  0
 32 53  1  0  0  0  0
 33 54  1  0  0  0  0
 33 55  1  0  0  0  0
 33 56  1  0  0  0  0
 34 57  1  0  0  0  0
 34 58  1  0  0  0  0
 34 59  1  0  0  0  0
M  END

$$$$
D03ULH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.431   4.278   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.198   3.486   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.767   2.889   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.569   3.083   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.802   3.874   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.233   4.472   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.604   3.292   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.837   2.501   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.639   2.307   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.872   1.516   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.303   0.918   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.501   1.112   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.268   1.904   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.536   0.127   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.396  -0.129   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.393  -0.933   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.499  -1.207   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.033  -0.527   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.059   0.140   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.651  -0.154   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.651  -0.896   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.011  -1.206   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1      -3.062   1.068   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.285  -2.004   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.806  -2.644   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.359  -3.337   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.561  -3.126   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -0.516  -2.302   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.078  -3.605   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.793  -3.234   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.507  -3.647   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.222  -3.234   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       2.936  -3.647   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1       3.651  -3.234   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1       0.078  -4.430   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1       2.936  -4.472   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15   18                                            
CONECT   15   14   16   19                                            
CONECT   16   15   17   22                                            
CONECT   17   16   18   24                                            
CONECT   18   17   14                                                 
CONECT   19   15   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   16                                                 
CONECT   23   19                                                      
CONECT   24   17   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   24                                                 
CONECT   29   27   30   35                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   36                                            
CONECT   34   33                                                      
CONECT   35   29                                                      
CONECT   36   33                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D03UNB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.357  -0.790   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.357  -1.615   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.357  -2.027   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.072  -1.615   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.072  -0.790   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.357  -0.377   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.072  -0.377   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.786  -0.790   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.786  -1.615   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.072  -2.027   0.000  1.00  0.00           C  
HETATM   11 BR   UNL     1      -2.501  -0.377   0.000  1.00  0.00          Br  
HETATM   12  S   UNL     1       0.357   0.448   0.000  1.00  0.00           S  
HETATM   13  C   UNL     1       1.072   0.860   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.786   0.448   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       2.501   0.860   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       1.786  -0.377   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.655   1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.072   2.027   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.488   1.444   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   12                                            
CONECT    7    1    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    2                                                 
CONECT   11    8                                                      
CONECT   12    6   13                                                 
CONECT   13   12   14   17   19                                       
CONECT   14   13   15   16                                            
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17   13   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   13                                                 
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D03USW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.281   2.171   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.281   1.345   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.066   1.091   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.551   1.758   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.066   2.425   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.433   2.583   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.147   2.171   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.147   1.345   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.433   0.933   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -1.862   0.933   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.616   1.268   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.168   0.655   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.755  -0.059   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.948   0.113   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.335  -0.440   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.748  -1.154   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.335  -1.869   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.510  -1.869   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.098  -1.154   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.510  -0.440   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1      -1.748  -2.583   0.000  1.00  0.00           F  
HETATM   22  N   UNL     1       1.321   0.306   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.128   0.134   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       2.680   0.748   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       2.383  -0.650   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1      -0.098   0.275   0.000  1.00  0.00           F  
HETATM   27  C   UNL     1       1.831  -1.263   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       1.248  -1.847   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       2.996  -1.202   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.168  -0.395   0.000  1.00  0.00           C  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   22                                            
CONECT    4    3    5                                                 
CONECT    5    4    1                                                 
CONECT    6    1    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10   15                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   26                                            
CONECT   21   17                                                      
CONECT   22    3   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23                                                      
CONECT   25   23   27   29   30                                       
CONECT   26   20                                                      
CONECT   27   25   28                                                 
CONECT   28   27                                                      
CONECT   29   25   30                                                 
CONECT   30   29   25                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D03VGN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.785  -0.307   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.785  -1.132   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.070  -1.545   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.356  -1.132   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.356  -0.307   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.070   0.105   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.359  -1.545   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.073  -1.132   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.073  -0.307   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.359   0.105   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.070   0.927   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.358   1.339   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.356   0.926   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.358   2.163   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.070   1.340   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.785   1.752   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.427  -1.751   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.713  -2.163   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   17                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    6   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   15                                                 
CONECT   14   12                                                      
CONECT   15   13   16                                                 
CONECT   16   15                                                      
CONECT   17    3   18                                                 
CONECT   18   17                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END

$$$$

$$$$
D03VKC
  -OEChem-09301911112D

 27 28  0     0  0  0  0  0  0999 V2000
    5.9543    1.5817    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.9908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4863   -0.6565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3665    2.3907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4543    0.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    0.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4543   -0.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9543    1.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633    0.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5883   -1.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3203   -1.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    0.3216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5883   -2.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3203   -2.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4543   -2.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8530    0.4391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0513   -1.1471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8572   -1.1471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0513   -2.7671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8572   -2.7671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4543   -3.5771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6187    2.9571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7499    2.3259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084    1.2714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    0.4902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916    0.0921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 12  1  0  0  0  0
  2 16  1  0  0  0  0
  3 12  2  0  0  0  0
  4  8  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  2  0  0  0  0
  6 12  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 17  1  0  0  0  0
 10 13  1  0  0  0  0
 10 18  1  0  0  0  0
 11 14  2  0  0  0  0
 11 19  1  0  0  0  0
 13 15  2  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
M  END

$$$$
D03VLV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.405   0.412   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.405  -0.412   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.690  -0.825   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.024  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.024   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.690   0.825   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.809  -0.667   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.294   0.000   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.809   0.667   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       2.119   0.000   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.064   1.452   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.690   1.650   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -2.119  -0.825   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.119   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.690  -1.650   0.000  1.00  0.00           C  
CONECT    1    2    6   14                                            
CONECT    2    1    3   13                                            
CONECT    3    2    4   15                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   12                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5   11                                            
CONECT   10    8                                                      
CONECT   11    9                                                      
CONECT   12    6                                                      
CONECT   13    2                                                      
CONECT   14    1                                                      
CONECT   15    3                                                      
MASTER        0    0    0    0    0    0    0    0   15    0   15    0
END
M  END

$$$$
D03VMP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.296   1.087   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.296   0.262   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.582  -0.151   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.867   0.262   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.867   1.087   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.582   1.499   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.582  -0.976   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.867  -1.389   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.867  -2.213   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.153  -0.976   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.438  -1.389   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1      -2.153  -0.151   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.724  -0.976   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.009  -1.389   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.724  -0.151   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.705  -0.976   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.420  -1.389   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.633  -2.185   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.050  -2.769   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       2.430  -2.399   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       3.013  -1.815   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.810  -2.029   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       4.024  -2.826   0.000  1.00  0.00           O  
HETATM   24  N   UNL     1       4.394  -1.446   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       5.191  -1.659   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       5.774  -1.076   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       6.571  -1.289   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       7.154  -0.706   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       6.941   0.091   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       6.144   0.304   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.560  -0.279   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.800  -1.019   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.383  -0.435   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.170   0.362   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1       2.373   0.575   0.000  1.00  0.00           O  
HETATM   36  N   UNL     1       3.753   0.945   0.000  1.00  0.00           N  
HETATM   37  C   UNL     1      -3.582  -2.626   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1      -4.296  -2.213   0.000  1.00  0.00           O  
HETATM   39  O   UNL     1      -3.582  -3.451   0.000  1.00  0.00           O  
HETATM   40  C   UNL     1      -5.011  -2.626   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.725  -2.213   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.725  -1.389   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.440  -0.976   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.154  -1.389   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.154  -2.213   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.440  -2.626   0.000  1.00  0.00           C  
HETATM   47  O   UNL     1      -0.009  -2.213   0.000  1.00  0.00           O  
HETATM   48  C   UNL     1      -0.141   0.432   0.000  1.00  0.00           C  
HETATM   49  C   UNL     1      -0.141   1.257   0.000  1.00  0.00           C  
HETATM   50  C   UNL     1       0.684   0.432   0.000  1.00  0.00           C  
HETATM   51  C   UNL     1       2.033  -0.837   0.000  1.00  0.00           C  
HETATM   52  C   UNL     1       1.697  -0.083   0.000  1.00  0.00           C  
HETATM   53  C   UNL     1       0.877  -0.169   0.000  1.00  0.00           C  
HETATM   54  C   UNL     1       2.518  -0.169   0.000  1.00  0.00           C  
HETATM   55  O   UNL     1      -3.582   2.324   0.000  1.00  0.00           O  
HETATM   56  P   UNL     1      -2.867   2.736   0.000  1.00  0.00           P  
HETATM   57  O   UNL     1      -3.280   3.451   0.000  1.00  0.00           O  
HETATM   58  O   UNL     1      -2.153   3.149   0.000  1.00  0.00           O  
HETATM   59  O   UNL     1      -2.455   2.022   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   55                                            
CONECT    7    3    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8   37                                                 
CONECT   10    8   11   12                                            
CONECT   11   10   13                                                 
CONECT   12   10                                                      
CONECT   13   11   14   15                                            
CONECT   14   13   16   47                                            
CONECT   15   13   48                                                 
CONECT   16   14   17   53                                            
CONECT   17   16   18   51                                            
CONECT   18   17   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22   32                                            
CONECT   22   21   23   24                                            
CONECT   23   22                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   21   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   36                                            
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37    9   38   39                                            
CONECT   38   37   40                                                 
CONECT   39   37                                                      
CONECT   40   38   41                                                 
CONECT   41   40   42   46                                            
CONECT   42   41   43                                                 
CONECT   43   42   44                                                 
CONECT   44   43   45                                                 
CONECT   45   44   46                                                 
CONECT   46   45   41                                                 
CONECT   47   14                                                      
CONECT   48   15   49   50                                            
CONECT   49   48                                                      
CONECT   50   48                                                      
CONECT   51   17   52   54                                            
CONECT   52   51   53   54                                            
CONECT   53   52   16                                                 
CONECT   54   51   52                                                 
CONECT   55    6   56                                                 
CONECT   56   55   57   58   59                                       
CONECT   57   56                                                      
CONECT   58   56                                                      
CONECT   59   56                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
M  END

$$$$
D03VOJ
  -OEChem-04152110532D

 16 16  0     0  0  0  0  0  0999 V2000
    4.2690    1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 15  1  0  0  0  0
  2  7  1  0  0  0  0
  2 16  1  0  0  0  0
  3 10  2  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END

$$$$
D03VPP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.235   1.593   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.521   2.006   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.806   1.593   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.092   2.006   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.377   1.593   0.000  1.00  0.00           N  
HETATM    6  O   UNL     1      -2.092   2.831   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.806   0.768   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.663   2.006   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.663   2.831   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.052   1.593   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       0.052   0.768   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1       0.766   2.006   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.481   1.593   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.052   3.243   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.377   3.243   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.094   2.145   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.758   2.899   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.938   2.812   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.816   0.840   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.637   0.926   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.808   1.733   0.000  1.00  0.00           N  
HETATM   22  H   UNL     1       0.868   1.041   0.000  1.00  0.00           H  
HETATM   23  C   UNL     1       1.404   0.125   0.000  1.00  0.00           C  
HETATM   24  H   UNL     1       2.677   2.728   0.000  1.00  0.00           H  
HETATM   25  C   UNL     1      -0.663   3.656   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.583   0.039   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       0.412  -0.768   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       1.126  -1.181   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       1.739  -0.629   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -0.303  -1.181   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.303  -2.006   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.412  -2.418   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.126  -2.006   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.841  -2.418   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.841  -3.243   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.555  -3.656   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.270  -3.243   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       3.270  -2.418   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       2.555  -2.006   0.000  1.00  0.00           C  
HETATM   40  S   UNL     1       3.521   2.148   0.000  1.00  0.00           S  
HETATM   41  O   UNL     1       3.108   2.862   0.000  1.00  0.00           O  
HETATM   42  O   UNL     1       4.235   2.560   0.000  1.00  0.00           O  
HETATM   43  C   UNL     1       3.933   1.433   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    6                                            
CONECT    5    4    8                                                 
CONECT    6    4                                                      
CONECT    7    3                                                      
CONECT    8    5    9   10                                            
CONECT    9    8   14   15   25                                       
CONECT   10    8   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   13   18                                            
CONECT   13   12   16   19   22                                       
CONECT   14    9                                                      
CONECT   15    9                                                      
CONECT   16   13   17   21   24                                       
CONECT   17   16   18                                                 
CONECT   18   17   12                                                 
CONECT   19   13   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   16   40                                            
CONECT   22   13                                                      
CONECT   23   19   26   29                                            
CONECT   24   16                                                      
CONECT   25    9                                                      
CONECT   26   23   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29   33                                            
CONECT   29   28   23                                                 
CONECT   30   27   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   28   34                                            
CONECT   34   33   35   39                                            
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   34                                                 
CONECT   40   21   41   42   43                                       
CONECT   41   40                                                      
CONECT   42   40                                                      
CONECT   43   40                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
M  END

$$$$
D03VXP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.879  -0.549   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.879  -1.374   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.165  -1.786   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.450  -1.374   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.450  -0.549   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.165  -0.136   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.666  -1.629   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.181  -0.961   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.666  -0.294   0.000  1.00  0.00           N  
HETATM   10  H   UNL     1      -4.594  -1.786   0.000  1.00  0.00           H  
HETATM   11 CL   UNL     1      -3.165  -2.611   0.000  1.00  0.00          Cl  
HETATM   12  C   UNL     1      -0.356  -0.961   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.057  -1.676   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.882  -1.676   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.294  -0.961   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.882  -0.247   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.057  -0.247   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.294   0.468   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       0.882   1.182   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.057   1.182   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.356   0.468   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       1.294   1.897   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       0.882   2.611   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       2.119   0.468   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.532  -0.247   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.357  -0.247   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.769   0.468   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.357   1.182   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       2.532   1.182   0.000  1.00  0.00           N  
HETATM   30  O   UNL     1       4.594   0.468   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       5.007   1.182   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.594  -0.136   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1      -4.182   0.578   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -3.880  -0.549   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -5.007  -0.851   0.000  1.00  0.00           F  
CONECT    1    2    6   32                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4   11                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8    5                                                 
CONECT   10    2                                                      
CONECT   11    3                                                      
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   12   21                                            
CONECT   18   16   19   24                                            
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   17                                                 
CONECT   22   19   23                                                 
CONECT   23   22                                                      
CONECT   24   18   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27   31                                                 
CONECT   31   30                                                      
CONECT   32    1   33   34   35                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D03VXQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.644  -1.408   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.644  -2.233   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.930  -2.646   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.215  -2.233   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.215  -1.408   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.930  -0.996   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.501  -2.646   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.786  -2.233   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.786  -1.408   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.501  -0.996   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -5.359  -0.996   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -6.073  -1.408   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -5.359  -2.646   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -6.073  -2.233   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.501  -0.171   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.786   0.242   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.072  -0.171   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.357   0.242   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.357   1.067   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.072   1.479   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.786   1.067   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       0.357   1.479   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.072   1.067   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.786   1.479   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       1.072   0.242   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       2.501   1.067   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       3.215   1.479   0.000  1.00  0.00           N  
HETATM   28  O   UNL     1       2.501   0.242   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       3.930   1.067   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.930   0.242   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.644  -0.171   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.359   0.242   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       5.359   1.067   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.644   1.479   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1       6.073  -0.171   0.000  1.00  0.00           F  
HETATM   36  C   UNL     1       2.370   2.062   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1       1.786   2.646   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1       1.203   2.062   0.000  1.00  0.00           C  
CONECT    1    2    6   11                                            
CONECT    2    1    3   13                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   15                                            
CONECT   11    1   12                                                 
CONECT   12   11                                                      
CONECT   13    2   14                                                 
CONECT   14   13                                                      
CONECT   15   10   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   19   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   26   36   38                                       
CONECT   25   23                                                      
CONECT   26   24   27   28                                            
CONECT   27   26   29                                                 
CONECT   28   26                                                      
CONECT   29   27   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   35                                            
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   32                                                      
CONECT   36   24   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   24                                                 
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D03WCJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.257   1.927   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.257   1.102   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.543   0.689   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.829   1.102   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.829   1.927   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.543   2.339   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.114   0.689   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.028  -0.131   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.221  -0.303   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.192   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.360   1.025   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.641  -0.683   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.426  -0.428   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.039  -0.980   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.867  -1.787   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.083  -2.042   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.469  -1.490   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -3.480  -2.339   0.000  1.00  0.00          Cl  
HETATM   19 CL   UNL     1      -0.685  -1.745   0.000  1.00  0.00          Cl  
HETATM   20 CL   UNL     1      -3.972   2.339   0.000  1.00  0.00          Cl  
HETATM   21  C   UNL     1      -0.189   1.832   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.012   0.498   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.348   1.252   0.000  1.00  0.00           O  
HETATM   24  N   UNL     1       1.497  -0.169   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1       2.322  -0.169   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       2.735  -0.884   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.559  -0.884   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.972  -0.169   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.559   0.545   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.735   0.545   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.322   1.260   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.322  -1.598   0.000  1.00  0.00           C  
CONECT    1    2    6   20                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   22                                            
CONECT   11   10    7   21                                            
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   19                                            
CONECT   18   15                                                      
CONECT   19   17                                                      
CONECT   20    1                                                      
CONECT   21   11                                                      
CONECT   22   10   23   24                                            
CONECT   23   22                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27   32                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25   31                                            
CONECT   31   30                                                      
CONECT   32   26                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D03WDH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143  -0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -1.856   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715  -0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429  -0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429   0.619   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.715   1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.715   1.856   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.429   2.269   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.143   1.856   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.143   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.000  -0.206   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.715  -0.619   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.429  -0.206   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.000   0.619   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.429   0.619   0.000  1.00  0.00           C  
HETATM   18 BR   UNL     1      -1.429   3.094   0.000  1.00  0.00          Br  
HETATM   19  C   UNL     1       2.143   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.143   1.856   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       1.429   2.269   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       0.715   1.856   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.715   1.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.143  -0.619   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.858  -1.856   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.572  -1.444   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.287  -1.856   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.287  -2.681   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.572  -3.094   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.858  -2.681   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.143  -1.444   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.858  -1.856   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.572  -1.444   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.572  -0.619   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.858  -0.206   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1       2.858   2.269   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1       4.287  -1.856   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   25                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   13                                            
CONECT    6    5    1    7                                            
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   18                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    5   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   17   24                                            
CONECT   16   13                                                      
CONECT   17   15   19   23                                            
CONECT   18   10                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21   36                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   17                                                 
CONECT   24   15   31   35                                            
CONECT   25    2   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   24   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   37                                            
CONECT   34   33   35                                                 
CONECT   35   34   24                                                 
CONECT   36   20                                                      
CONECT   37   33                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D03WFE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.908  -0.383   0.000  1.00  0.00           N  
HETATM    2  N   UNL     1      -4.584  -0.857   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.342  -1.646   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.517  -1.660   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.249  -0.880   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.767  -2.353   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.342  -3.074   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.517  -3.074   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.093  -2.353   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.460  -0.638   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.746  -1.051   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.031  -0.638   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.031   0.187   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.746   0.599   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.460   0.187   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.317  -1.051   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.398  -0.638   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.398   0.187   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.317   0.599   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.112   0.599   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.827   0.187   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.541   0.599   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.541   1.424   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.827   1.837   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.112   1.424   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1       0.398   1.837   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1       1.827  -0.638   0.000  1.00  0.00           F  
HETATM   28  N   UNL     1       3.256   0.187   0.000  1.00  0.00           N  
HETATM   29  S   UNL     1       3.970   0.599   0.000  1.00  0.00           S  
HETATM   30  C   UNL     1       3.970   1.424   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.256   1.837   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.256   2.662   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1       3.970   3.074   0.000  1.00  0.00           F  
HETATM   34  N   UNL     1      -1.746   1.424   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1      -1.031   1.837   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.031   2.662   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1      -1.746   3.074   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1      -2.460   2.662   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.460   1.837   0.000  1.00  0.00           C  
HETATM   40  O   UNL     1       4.767   0.813   0.000  1.00  0.00           O  
HETATM   41  O   UNL     1       4.383  -0.115   0.000  1.00  0.00           O  
HETATM   42  O   UNL     1       0.040  -1.256   0.000  1.00  0.00           O  
HETATM   43  C   UNL     1       0.754  -1.669   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5    9                                            
CONECT    5    4    1   10                                            
CONECT    6    3    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    4                                                 
CONECT   10    5   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14   19                                            
CONECT   14   13   15   34                                            
CONECT   15   14   10                                                 
CONECT   16   12   17   42                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   13                                                 
CONECT   20   18   21   25                                            
CONECT   21   20   22   27                                            
CONECT   22   21   23   28                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20   26                                            
CONECT   26   25                                                      
CONECT   27   21                                                      
CONECT   28   22   29                                                 
CONECT   29   28   30   40   41                                       
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32                                                      
CONECT   34   14   35   39                                            
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   34                                                 
CONECT   40   29                                                      
CONECT   41   29                                                      
CONECT   42   16   43                                                 
CONECT   43   42                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
M  END

$$$$
D03WFI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.061   1.935   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.061   1.110   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.775   0.698   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.490   1.110   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.490   1.935   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.775   2.348   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.775  -0.127   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.061  -0.540   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.061  -1.365   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.775  -1.777   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.490  -1.365   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.490  -0.540   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.346   0.698   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.368   1.110   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.083   0.698   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.368   1.935   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.836   1.033   0.000  1.00  0.00           C  
HETATM   18  S   UNL     1      -2.388   0.420   0.000  1.00  0.00           S  
HETATM   19  C   UNL     1      -1.976  -0.294   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.169  -0.123   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.311  -1.048   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.118  -1.220   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.204  -2.040   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1      -2.451  -2.376   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.899  -1.763   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.237  -3.173   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       3.204  -1.777   0.000  1.00  0.00           N  
HETATM   28  N   UNL     1       1.775   3.173   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   28                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   27                                            
CONECT   12   11    7                                                 
CONECT   13    2   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   17   20                                            
CONECT   16   14                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   15                                                 
CONECT   21   19   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   21                                                 
CONECT   26   24                                                      
CONECT   27   11                                                      
CONECT   28    6                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END

$$$$

$$$$
D03WGA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.571   0.585   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.571  -0.240   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.144  -0.653   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.858  -0.240   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.858   0.585   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.144   0.997   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.355   0.840   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.840   0.172   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.355  -0.495   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.503  -0.755   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.307  -0.571   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.665   0.172   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.307   0.915   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.503   1.099   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.136   1.890   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.315   1.804   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.665   0.172   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.610   1.624   0.000  1.00  0.00           C  
HETATM   19  H   UNL     1      -0.657   1.405   0.000  1.00  0.00           H  
HETATM   20  H   UNL     1       0.858   1.410   0.000  1.00  0.00           H  
HETATM   21  H   UNL     1       0.858  -1.065   0.000  1.00  0.00           H  
HETATM   22  C   UNL     1       0.144  -1.478   0.000  1.00  0.00           C  
HETATM   23  H   UNL     1      -0.657  -1.061   0.000  1.00  0.00           H  
HETATM   24  C   UNL     1       0.858  -1.890   0.000  1.00  0.00           C  
HETATM   25  H   UNL     1       0.144   0.172   0.000  1.00  0.00           H  
CONECT    1    2    6    7   19                                       
CONECT    2    1    3    9   23                                       
CONECT    3    2    4   22                                            
CONECT    4    3    5   10   21                                       
CONECT    5    4    6   14   20                                       
CONECT    6    5    1   16   25                                       
CONECT    7    1    8   18                                            
CONECT    8    7    9   17                                            
CONECT    9    8    2                                                 
CONECT   10    4   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    5   15                                            
CONECT   15   14   16                                                 
CONECT   16   15    6                                                 
CONECT   17    8                                                      
CONECT   18    7                                                      
CONECT   19    1                                                      
CONECT   20    5                                                      
CONECT   21    4                                                      
CONECT   22    3   24                                                 
CONECT   23    2                                                      
CONECT   24   22                                                      
CONECT   25    6                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D03WHA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072   1.444   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.072  -1.031   0.000  1.00  0.00           N  
HETATM    8  S   UNL     1      -0.357  -1.444   0.000  1.00  0.00           S  
HETATM    9  C   UNL     1       0.357  -1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.357  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.072  -1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.786  -1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.072   0.206   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       1.072   1.031   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       0.357   1.444   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.501   0.206   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.501   1.031   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       2.501  -1.444   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       2.501  -2.269   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.941  -2.027   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       0.055  -2.158   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.501   1.444   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.501   2.269   0.000  1.00  0.00           C  
CONECT    1    2    6   23                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9   21   22                                       
CONECT    9    8   10   11                                            
CONECT   10    9    4   14                                            
CONECT   11    9   12                                                 
CONECT   12   11   13   19                                            
CONECT   13   12   14   17                                            
CONECT   14   13   10   15                                            
CONECT   15   14   16                                                 
CONECT   16   15                                                      
CONECT   17   13   18                                                 
CONECT   18   17                                                      
CONECT   19   12   20                                                 
CONECT   20   19                                                      
CONECT   21    8                                                      
CONECT   22    8                                                      
CONECT   23    1   24                                                 
CONECT   24   23                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END

$$$$

$$$$

$$$$
D03XAK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.841  -1.072   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.666  -1.072   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.078  -1.786   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.666  -2.501   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.841  -2.501   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.428  -1.786   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.428  -0.357   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.603  -0.357   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.191   0.357   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.603   1.072   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.428   1.072   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.841   0.357   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.191   1.786   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.603   2.501   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.428   2.501   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.841   1.786   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.366   0.357   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       0.047   1.072   0.000  1.00  0.00           O  
HETATM   19  N   UNL     1       0.047  -0.357   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       0.872  -0.357   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       1.357  -1.025   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       2.141  -0.770   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.141   0.055   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1       1.357   0.310   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       2.809  -1.255   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.809  -2.080   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       3.593  -2.335   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.078  -1.667   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.593  -1.000   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   17                                            
CONECT   10    9   11   13                                            
CONECT   11   10   12   16                                            
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    9   18   19                                            
CONECT   18   17                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   20                                                 
CONECT   25   22   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   25                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D03XTA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.794   0.412   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.794  -0.412   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.509  -0.825   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       2.223  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.223   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.509   0.825   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       3.008  -0.667   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       3.493   0.000   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       3.008   0.667   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       3.263   1.452   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       1.509   1.650   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       0.080  -0.825   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.080   0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.509  -1.650   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.635   0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.349   0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.064   0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.778   0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.493   0.412   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.778   1.650   0.000  1.00  0.00           O  
CONECT    1    2    6   13                                            
CONECT    2    1    3   12                                            
CONECT    3    2    4   14                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9                                                      
CONECT   11    6                                                      
CONECT   12    2                                                      
CONECT   13    1   15                                                 
CONECT   14    3                                                      
CONECT   15   13   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18                                                      
CONECT   20   18                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D03YAA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.931  -0.490   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.145  -1.287   0.000  1.00  0.00           C  
HETATM    3  O   UNL     1      -1.453  -1.737   0.000  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.812  -1.218   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.108  -0.447   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.515   0.093   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.312  -0.121   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.525  -0.917   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.942  -1.501   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.003  -1.347   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.522  -0.705   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.226   0.065   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.588   0.194   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.319  -0.919   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.001   0.908   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.350  -0.917   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.109  -1.501   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.105  -1.716   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.732  -1.633   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.116  -0.705   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.329   0.091   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.126   0.305   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.340   1.102   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.137   1.315   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.350   2.112   0.000  1.00  0.00           C  
HETATM   26  H   UNL     1      -1.519   0.224   0.000  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.145  -2.112   0.000  1.00  0.00           H  
CONECT    1    2    5    6   26                                       
CONECT    2    1    3    9   27                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    1   13                                            
CONECT    6    1    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   16   17                                       
CONECT    9    8    2                                                 
CONECT   10    4   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    5   15                                            
CONECT   14   11   18   19   20                                       
CONECT   15   13                                                      
CONECT   16    8                                                      
CONECT   17    8                                                      
CONECT   18   14                                                      
CONECT   19   14                                                      
CONECT   20   14   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24                                                      
CONECT   26    1                                                      
CONECT   27    2                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D03YFL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.850   1.389   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.850   0.564   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.135   0.151   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.421   0.564   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.421   1.389   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.135   1.801   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.564   1.801   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.706   0.151   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.706  -0.674   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.992   0.564   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.277   0.151   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.563   0.564   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.563   1.389   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.277   1.801   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.992   1.389   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.992  -1.087   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.277  -0.674   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.421  -1.087   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.135  -0.674   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       0.152   0.151   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       0.152  -0.674   0.000  1.00  0.00           O  
HETATM   22  N   UNL     1       0.866   0.564   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.581   0.151   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.581  -0.674   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.295  -1.087   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.009  -0.674   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       3.009   0.151   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       2.295   0.564   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       3.724  -1.087   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       4.438  -0.674   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.152  -1.087   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1       4.739  -1.801   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       4.437  -0.674   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       5.564  -0.372   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    4    9   10                                            
CONECT    9    8   16   18                                            
CONECT   10    8   11   15                                            
CONECT   11   10   12   17                                            
CONECT   12   11   13   20                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    9   17                                                 
CONECT   17   16   11                                                 
CONECT   18    9   19                                                 
CONECT   19   18                                                      
CONECT   20   12   21   22                                            
CONECT   21   20                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   26   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   33   34                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D03YMA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.572  -0.206   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.572  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.858  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.858   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429   0.206   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.715  -0.206   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -1.429   1.031   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       0.000   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.715  -0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.429   0.206   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.429   1.031   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.715   1.444   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.000   1.031   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       2.143  -0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.143  -1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.858  -1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.572  -1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.572  -0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.858   0.206   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       2.858   1.031   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       3.572   1.444   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   12   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16   22                                            
CONECT   22   21   23                                                 
CONECT   23   22                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D03YWY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786  -0.206   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.786  -1.031   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.072  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.357  -1.444   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.072  -1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.357   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.357   1.031   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.357   1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.072   1.031   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.501   0.206   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.164   0.846   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.215  -0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.786  -1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.501  -1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.501  -0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.786   0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.072  -0.206   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1       1.786   1.031   0.000  1.00  0.00           F  
HETATM   22  F   UNL     1       3.215  -1.444   0.000  1.00  0.00           F  
HETATM   23  C   UNL     1       1.676  -1.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.166  -0.247   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.878  -0.598   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.465  -0.309   0.000  1.00  0.00           C  
CONECT    1    2    6   13                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   12                                            
CONECT    7    4    8                                                 
CONECT    8    7   16   20   26                                       
CONECT    9    5   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    6   14                                            
CONECT   13    1   15                                                 
CONECT   14   12    9                                                 
CONECT   15   13                                                      
CONECT   16    8   17                                                 
CONECT   17   16   18   22   23                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   21   24                                       
CONECT   20   19    8                                                 
CONECT   21   19                                                      
CONECT   22   17                                                      
CONECT   23   17   25                                                 
CONECT   24   19   25                                                 
CONECT   25   24   26   23                                            
CONECT   26    8   25                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D03ZGF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.564  -0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.564  -1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.849  -1.856   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.135  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.135  -0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.849  -0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.849   0.619   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.420  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.706  -0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.009  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.009   0.619   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.706   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.420   0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.723   1.031   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       1.438   0.619   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1       0.723   1.856   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.524  -0.202   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.331  -0.373   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.743   0.341   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.191   0.954   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       3.564   0.427   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       0.911  -0.754   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       0.086  -0.754   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       1.206  -1.524   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    5    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15   16                                            
CONECT   15   14   17   20                                            
CONECT   16   14                                                      
CONECT   17   15   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   15                                                 
CONECT   21   19                                                      
CONECT   22   17   23   24                                            
CONECT   23   22                                                      
CONECT   24   22                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D03ZMX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.770  -0.400   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.770  -1.225   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.055  -1.638   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.659  -1.225   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.659  -0.400   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.055   0.012   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.055   0.837   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.659   1.250   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.484   0.012   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.199  -0.400   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.484   0.837   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.199   1.250   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.374  -1.638   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.786  -2.352   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.199  -1.638   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.913  -1.225   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.628  -1.638   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       2.913  -0.400   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.913   0.837   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.199   2.075   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       1.413   0.914   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       1.965   1.528   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       1.552   2.242   0.000  1.00  0.00           N  
HETATM   24  S   UNL     1       0.745   2.070   0.000  1.00  0.00           S  
HETATM   25  C   UNL     1      -2.913   0.012   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.628  -0.400   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.628  -1.225   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.913  -1.638   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.199  -1.225   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.790   1.528   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       2.790   0.703   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       3.615   1.528   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       2.790   2.352   0.000  1.00  0.00           F  
CONECT    1    2    6    9                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7   21   24                                            
CONECT    9    1   10   11                                            
CONECT   10    9   25   29                                            
CONECT   11    9   12                                                 
CONECT   12   11   19   20                                            
CONECT   13    4   14   15                                            
CONECT   14   13   15                                                 
CONECT   15   14   13   16                                            
CONECT   16   15   17   18                                            
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19   12                                                      
CONECT   20   12                                                      
CONECT   21    8   22                                                 
CONECT   22   21   23   30                                            
CONECT   23   22   24                                                 
CONECT   24   23    8                                                 
CONECT   25   10   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   10                                                 
CONECT   30   31   32   33   22                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D03ZOH
  -OEChem-04152110532D

 17 17  0     1  0  0  0  0  0999 V2000
    3.7601   -1.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6723    1.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479    1.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.5861    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2601    0.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -0.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    0.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202   -0.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6661   -1.1985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3286   -1.4848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1098   -1.0868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7117   -0.3055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -0.3055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -1.0868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916   -1.4848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0557    1.1091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END

$$$$
D03ZOR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.262   0.551   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.452   0.964   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.167   0.551   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       1.881   0.964   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.596   0.551   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.977   0.964   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.310   0.964   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       4.135   0.964   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       3.723   1.678   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       4.850   0.551   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       4.850  -0.274   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       5.564   0.964   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1       2.596  -0.274   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1       0.452   1.789   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.167  -0.274   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.452  -0.686   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.373  -0.686   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.628  -1.471   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       0.040  -1.956   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.707  -1.471   0.000  1.00  0.00           N  
HETATM   21  S   UNL     1      -1.063   1.784   0.000  1.00  0.00           S  
HETATM   22  C   UNL     1      -1.870   1.956   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.282   1.241   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.730   0.628   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.103   1.155   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.588   1.823   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.408   1.736   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.744   0.983   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.259   0.315   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.438   0.401   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -5.564   0.896   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   14                                            
CONECT    3    2    4   15                                            
CONECT    4    3    5                                                 
CONECT    5    4    7   13                                            
CONECT    6    1   21   24                                            
CONECT    7    5    8    9                                            
CONECT    8    7    9   10                                            
CONECT    9    8    7                                                 
CONECT   10    8   11   12                                            
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13    5                                                      
CONECT   14    2                                                      
CONECT   15    3   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   16                                                 
CONECT   21    6   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23    6                                                 
CONECT   25   23   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D03ZOZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.129   0.420   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.332   0.633   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.749   0.050   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.048   0.264   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.763  -0.149   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.175   0.566   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.461   0.978   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       1.972   0.779   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       2.555   0.196   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.342  -0.601   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.925  -1.184   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.722  -0.971   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.936  -0.174   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.352   0.409   0.000  1.00  0.00           C  
HETATM   15  F   UNL     1       4.733   0.040   0.000  1.00  0.00           F  
HETATM   16  C   UNL     1       4.306  -1.554   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.770   0.939   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.462   0.490   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.248  -0.307   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.425  -0.350   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.813   1.763   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.548   2.138   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.240   1.688   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.197   0.864   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1      -4.889   0.415   0.000  1.00  0.00           F  
HETATM   26  O   UNL     1      -1.332   1.458   0.000  1.00  0.00           O  
HETATM   27  F   UNL     1       2.712  -1.981   0.000  1.00  0.00           F  
HETATM   28  C   UNL     1       4.889  -2.138   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.889  -0.971   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.722  -2.138   0.000  1.00  0.00           C  
CONECT    1    2   17   20                                            
CONECT    2    1    3   26                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    7    8                                            
CONECT    7    6    4                                                 
CONECT    8    6    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   27                                            
CONECT   12   11   13   16                                            
CONECT   13   12   14   15                                            
CONECT   14   13    9                                                 
CONECT   15   13                                                      
CONECT   16   12   28   29   30                                       
CONECT   17    1   18   21                                            
CONECT   18   17   19   24                                            
CONECT   19   18   20                                                 
CONECT   20   19    1                                                 
CONECT   21   17   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   18   25                                            
CONECT   25   24                                                      
CONECT   26    2                                                      
CONECT   27   11                                                      
CONECT   28   16                                                      
CONECT   29   16                                                      
CONECT   30   16                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D03ZXG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.551  -0.619   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.551  -1.444   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.837  -1.856   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.122  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.122  -0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.837  -0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.164  -1.996   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.829  -2.749   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.008  -2.663   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -1.837   0.619   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.122   1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.408  -1.856   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.408  -2.681   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1       0.306  -1.444   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.021  -1.856   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.408   0.619   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.306   1.031   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.306   1.856   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.408   2.269   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.122   1.856   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1      -0.408   3.094   0.000  1.00  0.00           F  
HETATM   22  C   UNL     1       1.021  -2.681   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.736  -3.094   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.450  -2.681   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.450  -1.856   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       1.736  -1.444   0.000  1.00  0.00           N  
HETATM   27  F   UNL     1       3.164  -3.094   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5   12                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   10                                            
CONECT    7    2    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    3                                                 
CONECT   10    6   11                                                 
CONECT   11   10   16   20                                            
CONECT   12    4   13   14                                            
CONECT   13   12                                                      
CONECT   14   12   15                                                 
CONECT   15   14   22   26                                            
CONECT   16   11   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   11                                                 
CONECT   21   19                                                      
CONECT   22   15   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   15                                                 
CONECT   27   24                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D03ZXP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.607  -2.602   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.607  -3.427   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.893  -3.840   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.179  -3.427   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.179  -2.602   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.893  -2.190   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.893  -1.365   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.322  -3.840   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.179  -0.952   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.179  -0.128   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.464   0.285   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.464   1.110   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.179   1.522   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.893   1.110   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.893   0.285   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.679   0.030   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.195   0.698   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.679   1.365   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.679   2.190   0.000  1.00  0.00           C  
HETATM   20  H   UNL     1      -1.464  -0.540   0.000  1.00  0.00           H  
HETATM   21  C   UNL     1      -1.394   2.602   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.035   2.602   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.749   2.190   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.464   2.602   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.378   1.931   0.000  1.00  0.00           C  
HETATM   26  S   UNL     1       2.178   2.190   0.000  1.00  0.00           S  
HETATM   27  O   UNL     1       1.766   1.475   0.000  1.00  0.00           O  
HETATM   28  N   UNL     1       2.591   1.475   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       2.893   2.602   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.607   2.190   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.322   2.602   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.322   3.427   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.607   3.840   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.893   3.427   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    9                                                 
CONECT    8    2                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12   16   20                                       
CONECT   12   11   13   18   25                                       
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   11   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   12   19                                            
CONECT   19   18   21   22                                            
CONECT   20   11                                                      
CONECT   21   19                                                      
CONECT   22   19   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   26                                                 
CONECT   25   12                                                      
CONECT   26   24   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D04AFR
  -OEChem-09301911282D

 58 60  0     1  0  0  0  0  0999 V2000
    2.8660    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -0.3840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9641   -2.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -5.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7320    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641   -2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    4.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    5.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    5.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    4.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    3.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    3.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    3.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    3.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    6.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    6.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    6.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196   -2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181   -3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5841   -0.3840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6541   -2.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -4.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -6.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -6.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 18  1  0  0  0  0
 17  2  1  6  0  0  0
  2 53  1  0  0  0  0
  3 23  1  0  0  0  0
  3 27  1  0  0  0  0
  4 25  1  0  0  0  0
  4 55  1  0  0  0  0
  5 25  2  0  0  0  0
 19  6  1  1  0  0  0
  6 51  1  0  0  0  0
  6 52  1  0  0  0  0
  7 21  2  0  0  0  0
  7 26  1  0  0  0  0
  8 27  2  0  0  0  0
  8 29  1  0  0  0  0
  9 28  2  0  0  0  0
  9 30  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 16  1  0  0  0  0
 10 31  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 32  1  0  0  0  0
 12 14  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 15  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 25  1  0  0  0  0
 18 22  2  0  0  0  0
 18 24  1  0  0  0  0
 19 23  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 22  1  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 26  2  0  0  0  0
 24 50  1  0  0  0  0
 26 54  1  0  0  0  0
 27 28  1  0  0  0  0
 28 56  1  0  0  0  0
 29 30  2  0  0  0  0
 29 57  1  0  0  0  0
 30 58  1  0  0  0  0
M  END

$$$$
D04AKA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.209   1.889   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.209   1.064   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.495   0.651   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.780   1.064   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.780   1.889   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.495   2.301   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.924   2.301   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.066   0.651   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.649   1.064   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       1.363   0.651   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       2.078   1.064   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.078   1.889   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.363   2.301   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.649   1.889   0.000  1.00  0.00           N  
HETATM   15  N   UNL     1       2.862   0.809   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       3.347   1.476   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.862   2.144   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       4.172   1.476   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       4.585   2.191   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       4.585   0.762   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       4.172   2.905   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       5.410   2.191   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.117   0.024   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.638   1.889   0.000  1.00  0.00           N  
HETATM   25  O   UNL     1      -2.924   3.126   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.320   2.354   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.108   2.111   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.410   1.343   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.997   0.628   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.181   0.505   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.577   1.066   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1      -4.696   1.396   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       2.565  -0.589   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.820  -1.373   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.627  -1.545   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.179  -0.932   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.924  -0.147   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       3.882  -2.329   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       4.689  -2.501   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       3.330  -2.943   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       4.096  -3.126   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1   24   25                                            
CONECT    8    4    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   11   16   23                                            
CONECT   16   15   17   18                                            
CONECT   17   16   12                                                 
CONECT   18   16   19   20                                            
CONECT   19   18   21   22                                            
CONECT   20   18                                                      
CONECT   21   19                                                      
CONECT   22   19                                                      
CONECT   23   15   33   37                                            
CONECT   24    7   26   31                                            
CONECT   25    7                                                      
CONECT   26   24   27                                                 
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30   24                                                 
CONECT   32   27   30                                                 
CONECT   33   23   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36   38                                            
CONECT   36   35   37                                                 
CONECT   37   36   23                                                 
CONECT   38   35   39   40   41                                       
CONECT   39   38                                                      
CONECT   40   38                                                      
CONECT   41   38                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D04AMI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.776  -1.374   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.776  -2.199   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.991  -2.454   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.507  -1.786   0.000  1.00  0.00           C  
HETATM    5  S   UNL     1      -1.991  -1.119   0.000  1.00  0.00           S  
HETATM    6  C   UNL     1      -3.443  -2.684   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.682  -1.786   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.269  -1.072   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.269  -2.501   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.556  -2.501   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.968  -3.215   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.793  -3.215   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.206  -2.501   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.793  -1.786   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.968  -1.786   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.031  -2.501   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.443  -3.215   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       3.443  -1.786   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       3.031  -1.072   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       0.556  -1.072   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.968  -0.357   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.556   0.357   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.269   0.357   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.682  -0.357   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       0.968   1.072   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.793   1.072   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.206   1.786   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.793   2.501   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.968   2.501   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.556   1.786   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       2.206   3.215   0.000  1.00  0.00           F  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    1                                                 
CONECT    6    2                                                      
CONECT    7    4    8    9                                            
CONECT    8    7   20   24                                            
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18                                                      
CONECT   20    8   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23    8                                                 
CONECT   25   22   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D04AMY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.959  -0.193   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.959  -1.018   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.245  -1.430   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.470  -1.018   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.470  -0.193   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.245   0.220   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.184   0.220   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.938  -0.116   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.490   0.498   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.078   1.212   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.271   1.040   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       0.657   1.593   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       2.661   1.795   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.458   1.582   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.041   2.165   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.828   2.962   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.031   3.176   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.447   2.592   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.684   1.937   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.673  -1.430   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.427  -1.094   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.979  -1.708   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.567  -2.422   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.760  -2.251   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.682  -0.310   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.489  -0.138   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.041  -0.751   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.786  -1.536   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1      -2.130   0.303   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -2.902  -3.176   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   20                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13   19                                       
CONECT   11   10    7   12                                            
CONECT   12   11                                                      
CONECT   13   10   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   10                                                      
CONECT   20    2   21   24                                            
CONECT   21   20   22   25                                            
CONECT   22   21   23   28                                            
CONECT   23   22   24   30                                            
CONECT   24   23   20                                                 
CONECT   25   21   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   22                                                 
CONECT   29   25                                                      
CONECT   30   23                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D04ANB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  F   UNL     1       2.143  -4.123   0.000  1.00  0.00           F  
HETATM    2  C   UNL     1      -1.428  -2.062   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.428  -2.887   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.714  -3.300   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.001  -2.887   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.001  -2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.714  -1.650   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.714  -0.825   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.428  -0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.428   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.001  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.715  -0.825   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       0.001   0.412   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1       1.430  -0.412   0.000  1.00  0.00           N  
HETATM   15  S   UNL     1       2.144  -0.825   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1      -0.714  -4.125   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.428  -4.537   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       0.001  -4.537   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.714   0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.714   1.650   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.428   2.062   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.143   1.650   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.143   0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.428   2.887   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.714   3.300   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.714   4.125   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.428   4.537   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.143   4.125   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.143   3.300   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.144  -1.650   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       2.727  -0.242   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       2.941  -1.038   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       1.429  -2.062   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.429  -2.888   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.144  -3.300   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.858  -2.888   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       2.858  -2.062   0.000  1.00  0.00           C  
HETATM   38  F   UNL     1       0.715  -1.650   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1       0.715  -3.300   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1       3.573  -1.650   0.000  1.00  0.00           F  
HETATM   41  F   UNL     1       3.573  -3.300   0.000  1.00  0.00           F  
HETATM   42  O   UNL     1      -2.144  -3.297   0.000  1.00  0.00           O  
HETATM   43  O   UNL     1      -2.858  -2.060   0.000  1.00  0.00           O  
HETATM   44  C   UNL     1      -2.858  -2.885   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1      -3.573  -3.297   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1       1.428   0.413   0.000  1.00  0.00           C  
CONECT    1   35                                                      
CONECT    2    3    7                                                 
CONECT    3    2    4   42                                            
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    2    8                                            
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9   19   23                                            
CONECT   11    8   12   13                                            
CONECT   12   11   14                                                 
CONECT   13   11                                                      
CONECT   14   12   15   46                                            
CONECT   15   14   30   31   32                                       
CONECT   16    4   17   18                                            
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19   10   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   10                                                 
CONECT   24   21   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   15   33   37                                            
CONECT   31   15                                                      
CONECT   32   15                                                      
CONECT   33   30   34   38                                            
CONECT   34   33   35   39                                            
CONECT   35   34   36    1                                            
CONECT   36   35   37   41                                            
CONECT   37   36   30   40                                            
CONECT   38   33                                                      
CONECT   39   34                                                      
CONECT   40   37                                                      
CONECT   41   36                                                      
CONECT   42    3   44                                                 
CONECT   43   44                                                      
CONECT   44   42   43   45                                            
CONECT   45   44                                                      
CONECT   46   14                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
M  END

$$$$
D04AQR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.748  -0.021   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.748  -0.847   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.033  -1.259   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.319  -0.847   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.319  -0.021   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.033   0.391   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.466  -1.101   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.951  -0.434   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.466   0.234   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.462   0.391   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.462   1.216   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.177   1.629   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.891   1.216   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.891   0.391   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.177  -0.021   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.466   1.058   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.180   1.471   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.895   1.058   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.609   1.471   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.609   2.296   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.895   2.708   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.180   2.296   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.748  -0.647   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.748  -1.472   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.462  -1.885   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.177  -1.472   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.177  -0.647   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.462  -0.235   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       3.891  -2.296   0.000  1.00  0.00           N1+
HETATM   30  O   UNL     1       3.891  -1.471   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       3.177  -2.708   0.000  1.00  0.00           O1-
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   23                                            
CONECT    9    8    5   16                                            
CONECT   10    1   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    9   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23    8   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   26   30   31                                            
CONECT   30   29                                                      
CONECT   31   29                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D04AXC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.001  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.001  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.287  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.572  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.572  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.287   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.858  -1.444   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.143  -1.031   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.143  -0.206   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.858   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.429   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.715  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.000   0.206   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       0.715  -0.206   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.429   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.143  -0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.858   0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.858   1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.143   1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.429   1.031   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.572  -0.206   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       4.287   0.206   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.287   1.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.572   1.444   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       5.001  -0.206   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19   24                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   17   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
CONECT   25   22                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D04BAA
  -OEChem-09301911242D

 56 59  0     0  0  0  0  0  0999 V2000
   13.6935    0.1466    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.6170   -1.2655    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.2049   -1.1890    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.5455    3.8190    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.1854    2.5578    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2843    3.1791    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0531    0.6806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6995    0.1425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -2.6237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -1.8190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6565    0.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3458   -0.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9887    1.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3673   -0.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0102    1.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6350    0.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210   -0.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -1.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9457    1.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3029    0.0169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9242    1.9179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2814    0.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5920    1.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9492   -0.5212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2348    2.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8491    1.1443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3664   -1.0152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9597   -0.4829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5150    1.6269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7574    1.8745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8410   -0.9294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5986   -1.1770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9896    1.7127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3963    1.1804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.3440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.3440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.7363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -1.4266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -3.2939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -3.2939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5316    2.1732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1102   -0.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6029   -3.2130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1987    1.3015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.7820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.0090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.8559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 32  1  0  0  0  0
  3 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5 33  1  0  0  0  0
  6 33  1  0  0  0  0
  7 19  2  0  0  0  0
  8 31  2  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 19  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 11 52  1  0  0  0  0
 12 21  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 18  1  0  0  0  0
 13 35  1  0  0  0  0
 14 16  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 17  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 26  2  0  0  0  0
 18 27  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 25  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 28  1  0  0  0  0
 26 50  1  0  0  0  0
 27 29  2  0  0  0  0
 27 51  1  0  0  0  0
 28 30  2  0  0  0  0
 28 33  1  0  0  0  0
 29 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 53  1  0  0  0  0
 31 34  1  0  0  0  0
 34 54  1  0  0  0  0
 34 55  1  0  0  0  0
 34 56  1  0  0  0  0
M  END

$$$$
D04BBA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.192   2.003   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.192   1.178   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.907   0.766   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.621   1.178   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.621   2.003   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.907   2.416   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.907  -0.059   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.192  -0.472   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.192  -1.297   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.907  -1.709   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.621  -1.297   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.621  -0.472   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.192  -2.122   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.478  -1.709   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       1.192  -2.947   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       2.621  -2.122   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.336  -1.709   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.478   0.766   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.236   1.178   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.951   0.766   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.236   2.003   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.705   1.101   0.000  1.00  0.00           C  
HETATM   23  S   UNL     1      -2.257   0.488   0.000  1.00  0.00           S  
HETATM   24  C   UNL     1      -1.844  -0.226   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.037  -0.055   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.180  -0.980   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       1.907   3.241   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.000  -1.066   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.336  -1.820   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.851  -2.487   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -2.030  -2.401   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1      -1.695  -1.647   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1      -3.187  -3.241   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   27                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13   16                                       
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   10   17                                                 
CONECT   17   16                                                      
CONECT   18    2   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   22   25                                            
CONECT   21   19                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   20                                                 
CONECT   26   24   28   32                                            
CONECT   27    6                                                      
CONECT   28   26   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   26                                                 
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END

$$$$

$$$$

$$$$
D04BBT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.042  -1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.042  -2.062   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.327  -2.475   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.613  -2.062   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.613  -1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.327  -0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.898  -0.825   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.898   0.000   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -1.184  -1.238   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.184   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.184   1.238   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.469   1.650   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.469   2.475   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.184   2.888   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.898   2.475   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.898   1.650   0.000  1.00  0.00           C  
HETATM   17  F   UNL     1      -1.184   3.712   0.000  1.00  0.00           F  
HETATM   18  F   UNL     1       0.245   2.888   0.000  1.00  0.00           F  
HETATM   19  N   UNL     1      -1.898  -2.475   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.184  -2.062   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.469  -2.475   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.469  -3.300   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.245  -3.712   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.960  -3.300   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.960  -2.475   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.245  -2.062   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.674  -2.062   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.428  -2.398   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.980  -1.785   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       2.567  -1.071   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       1.760  -1.242   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.683  -3.183   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.490  -3.354   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.042  -2.741   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1       3.787  -1.956   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   19                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   14                                                      
CONECT   18   13                                                      
CONECT   19    4   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   21                                                 
CONECT   27   25   28   31                                            
CONECT   28   27   29   32                                            
CONECT   29   28   30   35                                            
CONECT   30   29   31                                                 
CONECT   31   30   27                                                 
CONECT   32   28   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   29                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END

$$$$

$$$$

$$$$
D04BIF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.889  -0.683   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.889  -1.508   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.174  -1.921   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.540  -1.508   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.540  -0.683   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.174  -0.271   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1       1.325  -1.763   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.810  -1.096   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.325  -0.428   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.580   0.356   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.365   0.611   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.365   1.436   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       1.580   1.691   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.095   1.024   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.603  -0.271   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.603   0.554   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.317   0.967   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.032   0.554   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.032  -0.271   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.317  -0.683   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.032   1.921   0.000  1.00  0.00           C  
CONECT    1    2    6   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   21                                            
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15    1   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   12                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D04BOW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -1.650   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.786  -2.062   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.072  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786  -0.412   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.287  -1.905   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.198  -1.238   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.287  -0.570   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.786   0.412   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.501   0.825   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.215   0.412   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.215  -0.412   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.930  -0.825   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.072   0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.357   0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.357   0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.357   1.650   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.357   2.062   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.072   1.650   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.072   2.062   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.786   1.650   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.501   2.062   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.215   1.650   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       3.930   1.238   0.000  1.00  0.00           N  
CONECT    1    2    6   13                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    6   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    1   14                                            
CONECT   14   13                                                      
CONECT   15   16   20   10                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D04BRW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.199  -0.729   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.199  -1.554   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.485  -1.967   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.770  -1.554   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.770  -0.729   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.485  -0.317   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.914  -0.317   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.056  -0.317   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.342  -0.729   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -1.056   0.508   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.373  -0.317   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -4.000   0.504   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1      -4.807   0.675   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.220  -0.039   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.668  -0.652   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.143   1.429   0.000  1.00  0.00           C  
HETATM   17  F   UNL     1      -1.056  -1.967   0.000  1.00  0.00           F  
HETATM   18  N   UNL     1       1.127  -0.652   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1       1.679  -0.039   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.266   0.675   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.459   0.504   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.602   1.429   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.298  -1.459   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       0.746  -2.072   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1       1.158  -2.787   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       1.965  -2.615   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.052  -1.795   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.578  -3.167   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       1.117   2.096   0.000  1.00  0.00           O  
HETATM   30  N   UNL     1       2.422   1.515   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       2.758   2.269   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.579   2.355   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.063   1.687   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.884   1.773   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       5.220   2.527   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1       4.735   3.195   0.000  1.00  0.00           N  
HETATM   37  C   UNL     1       3.914   3.108   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.914  -1.967   0.000  1.00  0.00           C  
HETATM   39  F   UNL     1      -3.205  -3.195   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1      -5.142  -2.676   0.000  1.00  0.00           F  
HETATM   41  F   UNL     1      -4.623  -0.739   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3   38                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   17                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    1   12   15                                            
CONECT    8    5    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9   18   21                                            
CONECT   12    7   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14    7                                                 
CONECT   16   13                                                      
CONECT   17    4                                                      
CONECT   18   11   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   11                                                 
CONECT   22   20   29   30                                            
CONECT   23   18   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   23                                                 
CONECT   28   26                                                      
CONECT   29   22                                                      
CONECT   30   22   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   37                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   32                                                 
CONECT   38   39   40   41    2                                       
CONECT   39   38                                                      
CONECT   40   38                                                      
CONECT   41   38                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END

$$$$

$$$$

$$$$
D04BTN
  -OEChem-09301911222D

 41 43  0     0  0  0  0  0  0999 V2000
   14.7350    0.8075    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2632   -1.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4931   -1.1897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4931    0.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991   -0.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    0.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1312   -0.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1350    0.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9953   -1.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0030    0.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8632   -0.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8671    0.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4859    1.4996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9349    0.6779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1131   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3531   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    1.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    1.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5993    0.6296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9929   -1.8058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0054    1.4342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3989   -1.0012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 16  1  0  0  0  0
  2 20  1  0  0  0  0
  3 13  1  0  0  0  0
  3 34  1  0  0  0  0
  4 19  2  0  0  0  0
  5 27  1  0  0  0  0
  5 41  1  0  0  0  0
  6 27  2  0  0  0  0
  7 12  1  0  0  0  0
  7 14  2  0  0  0  0
  8 11  1  0  0  0  0
  8 16  2  0  0  0  0
  9 19  1  0  0  0  0
  9 21  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 15 17  2  0  0  0  0
 15 28  1  0  0  0  0
 16 17  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 27  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 24  1  0  0  0  0
 22 37  1  0  0  0  0
 23 25  2  0  0  0  0
 23 38  1  0  0  0  0
 24 26  2  0  0  0  0
 24 39  1  0  0  0  0
 25 26  1  0  0  0  0
 25 40  1  0  0  0  0
M  END

$$$$
D04BXA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.002  -0.165   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.915  -0.986   0.000  1.00  0.00           N  
HETATM    3  N   UNL     1      -0.108  -1.157   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.304  -0.443   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.248   0.170   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.528  -1.538   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.313  -1.283   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.926  -1.835   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.755  -2.642   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.970  -2.897   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.357  -2.345   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -0.572  -2.600   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1       0.038   0.977   0.000  1.00  0.00           C  
HETATM   14 CL   UNL     1      -3.368  -3.194   0.000  1.00  0.00          Cl  
HETATM   15  C   UNL     1       1.125  -0.356   0.000  1.00  0.00           C  
HETATM   16  S   UNL     1       1.677  -0.970   0.000  1.00  0.00           S  
HETATM   17  C   UNL     1       2.430  -0.634   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.344   0.186   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1       1.537   0.358   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.716   0.247   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.716   1.072   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.430   1.485   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.145   1.072   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.145   0.247   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.430  -0.165   0.000  1.00  0.00           C  
HETATM   26 BR   UNL     1      -3.859   1.485   0.000  1.00  0.00          Br  
HETATM   27  C   UNL     1       3.145  -1.046   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.859  -0.634   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.145  -1.871   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.859  -1.459   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -0.497   1.605   0.000  1.00  0.00           N  
HETATM   32  O   UNL     1       0.850   1.127   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -0.222   2.382   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       0.406   2.918   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.372   3.194   0.000  1.00  0.00           C  
CONECT    1    2    5   20                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   15                                            
CONECT    5    4    1   13                                            
CONECT    6    2    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10    6   12                                            
CONECT   12   11                                                      
CONECT   13    5   31   32                                            
CONECT   14    9                                                      
CONECT   15    4   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   27                                            
CONECT   18   17   19                                                 
CONECT   19   18   15                                                 
CONECT   20    1   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23                                                      
CONECT   27   17   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
CONECT   31   13   33                                                 
CONECT   32   13                                                      
CONECT   33   31   34   35                                            
CONECT   34   33   35                                                 
CONECT   35   34   33                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D04BYB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.394  -0.822   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.106  -0.411   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.106   0.411   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.394   0.822   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.682   0.411   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.682  -0.411   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -1.394  -1.644   0.000  1.00  0.00          Cl  
HETATM    8 CL   UNL     1      -2.818  -0.822   0.000  1.00  0.00          Cl  
HETATM    9  C   UNL     1       0.030   0.822   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       0.030   1.644   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.742   0.411   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.564   0.411   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.153  -0.301   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.742  -1.013   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.564  -1.013   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.405   0.435   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.818   1.146   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       2.813  -0.278   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    2                                                      
CONECT    9    5   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   12   13                                            
CONECT   12   11   13   16                                            
CONECT   13   12   11   14   15                                       
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   12   17   18                                            
CONECT   17   16                                                      
CONECT   18   16                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D04BZI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.838   0.443   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.838  -0.379   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.126  -0.790   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.414  -0.379   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.414   0.443   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.126   0.854   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.632  -0.633   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.149   0.032   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.632   0.697   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1      -0.378  -1.415   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1       0.673   0.032   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.426  -1.586   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.680  -2.368   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.484  -2.539   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.034  -1.928   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.780  -1.146   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.976  -0.975   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.126   1.676   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1       1.738  -3.321   0.000  1.00  0.00          Cl  
HETATM   20  F   UNL     1       2.838  -2.099   0.000  1.00  0.00           F  
HETATM   21  C   UNL     1      -1.414   2.087   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.414   2.909   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.126   3.321   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.838   2.909   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.838   2.087   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   18                                            
CONECT    7    4    8   10                                            
CONECT    8    7    9   11                                            
CONECT    9    8    5                                                 
CONECT   10    7   12                                                 
CONECT   11    8                                                      
CONECT   12   10   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    6   21   25                                            
CONECT   19   14                                                      
CONECT   20   15                                                      
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   18                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D04DCO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.200  -1.153   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.375  -1.158   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.037  -0.443   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.863  -0.443   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.117   0.341   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       0.450   0.826   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.217   0.341   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.275  -1.158   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.100  -1.158   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.513  -1.872   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.513  -0.443   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       2.100  -2.587   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.513  -3.301   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.337  -3.301   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.750  -2.587   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.337  -1.872   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.684  -0.485   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.469  -0.740   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.469  -1.565   0.000  1.00  0.00           C  
HETATM   20  S   UNL     1      -1.684  -1.820   0.000  1.00  0.00           S  
HETATM   21  C   UNL     1      -3.184  -0.327   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.898  -0.740   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.898  -1.565   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.184  -1.977   0.000  1.00  0.00           C  
HETATM   25 CL   UNL     1      -4.613  -1.977   0.000  1.00  0.00          Cl  
HETATM   26  C   UNL     1       0.450   1.651   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       1.164   2.064   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.265   2.064   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       1.164   2.889   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.879   3.301   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.593   2.889   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       2.042  -2.378   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       2.756  -2.791   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       3.898  -1.306   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       4.613  -1.719   0.000  1.00  0.00           C  
CONECT    1    2   17   20                                            
CONECT    2    1    3                                                 
CONECT    3    4    7    2                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7   26                                            
CONECT    7    6    3                                                 
CONECT    8    9    4                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   12   16                                            
CONECT   11    9                                                      
CONECT   12   10   13   32                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   10   34                                            
CONECT   17    1   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20   24                                            
CONECT   20   19    1                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   19                                                 
CONECT   25   23                                                      
CONECT   26    6   27   28                                            
CONECT   27   26   29                                                 
CONECT   28   26                                                      
CONECT   29   27   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30                                                      
CONECT   32   12   33                                                 
CONECT   33   32                                                      
CONECT   34   16   35                                                 
CONECT   35   34                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D04DUF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.653   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.653   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.367   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.082   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.082   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.367   2.062   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.796   0.412   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       3.511   0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.511   1.650   0.000  1.00  0.00           C  
HETATM   10  S   UNL     1       2.796   2.062   0.000  1.00  0.00           S  
HETATM   11  C   UNL     1       2.796  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.511  -0.825   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       2.082  -0.825   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       3.511  -1.650   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.225  -2.062   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.940  -1.650   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.940  -0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       4.225  -0.412   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.062   0.412   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.776   0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.491   0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.205   0.825   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.920   0.412   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.634   0.825   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.720   1.645   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.527   1.817   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.940   1.103   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.388   0.489   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.776   1.650   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   19                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    7   12   13                                            
CONECT   12   11   14   18                                            
CONECT   13   11                                                      
CONECT   14   12   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   12                                                 
CONECT   19    2   20                                                 
CONECT   20   19   21   29                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   24                                                 
CONECT   29   20                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D04EDM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.369   2.901   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.369   2.076   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.654   1.663   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.060   2.076   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.060   2.901   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.654   3.313   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.845   1.821   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.330   2.489   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1       0.845   3.156   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -2.083   1.663   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.798   2.076   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.512   1.663   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.798   2.901   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -4.337   1.663   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.925   0.949   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.100   1.036   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.615   0.369   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.100  -0.298   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.885  -0.043   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.885   0.781   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.928  -1.105   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.542  -1.657   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.326  -1.403   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.498  -0.596   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.939  -1.954   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       2.768  -2.761   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.381  -3.313   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       4.165  -3.059   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       4.337  -2.252   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.724  -1.700   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   16                                            
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    2   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11   14   15                                            
CONECT   13   11                                                      
CONECT   14   12   15                                                 
CONECT   15   14   12                                                 
CONECT   16    7   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20   24                                            
CONECT   20   19   16                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   19                                                 
CONECT   25   23   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END

$$$$

$$$$

$$$$
D04EFQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       4.197   0.337   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       5.021   0.337   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       5.434   1.051   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       5.021   1.766   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       4.197   1.766   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.784   1.051   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.968   1.174   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.364   0.613   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.425  -0.209   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.107  -0.674   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       3.895  -0.431   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1       3.107  -1.499   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       3.895  -1.766   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.390  -1.106   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       1.711  -0.622   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       0.996  -0.209   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       0.996   0.616   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       0.282  -0.622   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.433  -0.209   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.147  -0.622   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.147  -1.447   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.862  -0.209   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.862   0.616   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.576   1.028   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.291   0.616   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.291  -0.209   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.576  -0.622   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.005   1.028   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.720   0.616   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.434   1.028   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.131  -1.337   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.694  -1.337   0.000  1.00  0.00           C  
CONECT    1    2    6   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   15                                            
CONECT   10    9   11   12                                            
CONECT   11   10    1   14                                            
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   11                                                 
CONECT   15    9   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19   31   32                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20                                                      
CONECT   22   20   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   25   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29                                                      
CONECT   31   18   32                                                 
CONECT   32   31   18                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D04ELA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.365   1.237   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.365   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.650  -0.001   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.936   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.936   1.237   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.650   1.649   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.221   1.649   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.221  -0.001   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.221  -0.826   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.507  -1.238   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.507  -2.063   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.207  -2.476   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.922  -2.063   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.922  -1.238   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.207  -0.826   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.507   1.237   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.207   1.649   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.207   2.474   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.507   2.887   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.221   2.474   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.922   2.887   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.637   2.474   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1       0.922   3.712   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       1.637  -2.476   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.637  -3.301   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.351  -3.713   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.065  -3.301   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.065  -2.476   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.351  -2.063   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.351   2.887   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.065   2.474   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.351  -1.238   0.000  1.00  0.00           C  
HETATM   33 CL   UNL     1       3.780  -3.713   0.000  1.00  0.00          Cl  
HETATM   34 CL   UNL     1      -2.650  -0.826   0.000  1.00  0.00          Cl  
HETATM   35  C   UNL     1       3.778   2.888   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1       3.778   3.713   0.000  1.00  0.00           O  
HETATM   37  O   UNL     1       4.492   2.476   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1      -4.080   1.651   0.000  1.00  0.00           C  
HETATM   39  F   UNL     1      -3.667   2.365   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1      -3.365   1.238   0.000  1.00  0.00           F  
HETATM   41  F   UNL     1      -4.492   0.936   0.000  1.00  0.00           F  
CONECT    1    2    6   38                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   34                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5   16   20                                            
CONECT    8    4    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   24                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    7   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19    7                                                 
CONECT   21   18   22   23                                            
CONECT   22   21   30                                                 
CONECT   23   21                                                      
CONECT   24   13   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   33                                            
CONECT   28   27   29                                                 
CONECT   29   28   24   32                                            
CONECT   30   22   31                                                 
CONECT   31   30   35                                                 
CONECT   32   29                                                      
CONECT   33   27                                                      
CONECT   34    3                                                      
CONECT   35   31   36   37                                            
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38    1   39   40   41                                       
CONECT   39   38                                                      
CONECT   40   38                                                      
CONECT   41   38                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D04ESE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.294   0.584   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.119   0.584   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.531   1.299   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.119   2.013   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.294   2.013   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.881   1.299   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1       3.357   1.299   0.000  1.00  0.00          Cl  
HETATM    8  C   UNL     1       0.057   1.299   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.428   1.966   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.213   1.711   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.213   0.886   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.428   0.631   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.927   2.124   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.642   1.711   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.642   0.886   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.927   0.474   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.927   2.949   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.357   0.474   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.173  -0.153   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.726  -0.766   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.471  -1.551   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1      -1.532  -0.595   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.023  -2.164   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.336  -1.723   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.768  -2.949   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.591  -2.507   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    3                                                      
CONECT    8    6    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12   16                                            
CONECT   12   11    8   19                                            
CONECT   13   10   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   11                                                 
CONECT   17   13                                                      
CONECT   18   15                                                      
CONECT   19   12   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   23   24                                            
CONECT   22   20                                                      
CONECT   23   21   25                                                 
CONECT   24   21   26                                                 
CONECT   25   23                                                      
CONECT   26   24                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D04ESH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.440  -0.084   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.440  -0.908   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       3.154  -1.321   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       3.869  -0.908   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       3.869  -0.084   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.154   0.329   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       1.725   0.329   0.000  1.00  0.00           O  
HETATM    8 CL   UNL     1       1.725  -1.321   0.000  1.00  0.00          Cl  
HETATM    9  O   UNL     1       4.583   0.329   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       4.583  -1.321   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       4.583  -2.146   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       4.583   1.154   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       5.298   1.567   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       6.012   1.154   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       6.727   1.567   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       6.727   2.392   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       6.012   2.804   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       5.298   2.392   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.869  -2.558   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.011  -0.084   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.296   0.329   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.296   1.154   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.418   1.567   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.133   1.154   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.133   0.329   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.418  -0.084   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.418  -0.908   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.847  -0.084   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.562   0.329   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.276  -0.084   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.276  -0.908   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.562  -1.321   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.847  -0.908   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.562   1.154   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1      -3.990   0.329   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1      -3.990   1.154   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.705   1.567   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.705   2.392   0.000  1.00  0.00           C  
HETATM   39  N   UNL     1      -5.419   2.804   0.000  1.00  0.00           N  
HETATM   40  C   UNL     1      -5.506   3.624   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.313   3.796   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.725   3.082   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.173   2.468   0.000  1.00  0.00           C  
HETATM   44  F   UNL     1      -7.440   3.494   0.000  1.00  0.00           F  
HETATM   45  F   UNL     1      -7.440   2.669   0.000  1.00  0.00           F  
HETATM   46  C   UNL     1       5.298  -2.558   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1       5.298  -3.384   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1       6.095  -2.772   0.000  1.00  0.00           C  
HETATM   49  O   UNL     1       6.507  -3.486   0.000  1.00  0.00           O  
HETATM   50  O   UNL     1       4.583  -3.796   0.000  1.00  0.00           O  
HETATM   51  C   UNL     1       5.881  -1.975   0.000  1.00  0.00           C  
HETATM   52  O   UNL     1       6.678  -1.762   0.000  1.00  0.00           O  
HETATM   53  C   UNL     1       7.440   1.157   0.000  1.00  0.00           C  
HETATM   54  N   UNL     1       6.615   1.157   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    1   20                                                 
CONECT    8    2                                                      
CONECT    9    5   12                                                 
CONECT   10    4   11                                                 
CONECT   11   10   19   46                                            
CONECT   12    9   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   53                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   11                                                      
CONECT   20    7   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   21   27                                            
CONECT   27   26                                                      
CONECT   28   25   29   33                                            
CONECT   29   28   30   34                                            
CONECT   30   29   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34   29                                                      
CONECT   35   30   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40   43                                            
CONECT   40   39   41                                                 
CONECT   41   40   42                                                 
CONECT   42   41   43   44   45                                       
CONECT   43   42   39                                                 
CONECT   44   42                                                      
CONECT   45   42                                                      
CONECT   46   11   47   48   51                                       
CONECT   47   46   50                                                 
CONECT   48   46   49                                                 
CONECT   49   48                                                      
CONECT   50   47                                                      
CONECT   51   46   52                                                 
CONECT   52   51                                                      
CONECT   53   15   54                                                 
CONECT   54   53                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
M  END

$$$$
D04FAS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.650  -0.715   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.825  -0.715   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.412   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.825   0.715   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.650   0.715   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.062   0.000   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.888   0.000   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.300  -0.715   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.125  -0.715   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.537  -1.429   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -3.300   0.715   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.412   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.825  -0.715   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.650  -0.715   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.062   0.000   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.650   0.715   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.825   0.715   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.888   0.000   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.300   0.715   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.125   0.715   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       4.537   1.429   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1       3.300  -0.715   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       5.362   1.429   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       5.775   2.143   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       5.362   2.858   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       4.537   2.858   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.125   2.143   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.362  -1.429   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.775  -2.143   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -5.362  -2.858   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.537  -2.858   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.125  -2.143   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   12                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   28   32                                            
CONECT   11    7                                                      
CONECT   12    3   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   23   27                                            
CONECT   22   18                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   21                                                 
CONECT   28   10   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   10                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D04FJY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.551   0.240   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.551  -0.585   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.837  -0.997   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.122  -0.585   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.122   0.240   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.837   0.653   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.408   0.653   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.306   0.240   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.021   0.653   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.736   0.240   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.450   0.653   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.450   1.478   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.736   1.890   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.021   1.478   0.000  1.00  0.00           C  
HETATM   15 CL   UNL     1       3.164   0.240   0.000  1.00  0.00          Cl  
HETATM   16  N   UNL     1      -3.164  -1.137   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1      -2.829  -1.890   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.008  -1.804   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1       3.164   1.890   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3   16                                            
CONECT    3    2    4   18                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13   19                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   11                                                      
CONECT   16    2   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17    3                                                 
CONECT   19   12                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D04FRL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.934   0.750   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.220   0.337   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.505   0.750   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.209   0.337   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.924   0.750   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.638   0.337   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.924   1.575   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       0.209  -0.488   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.147   1.547   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.971   1.590   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.267   0.820   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1      -2.626   0.301   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.626  -0.524   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.340  -0.937   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.340  -1.762   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.626  -2.174   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.911  -1.762   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.911  -0.937   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.638  -0.488   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.353  -0.900   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.067  -0.488   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.067   0.337   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.353   0.750   0.000  1.00  0.00           C  
HETATM   24  F   UNL     1       3.782   0.750   0.000  1.00  0.00           F  
HETATM   25  C   UNL     1       3.424  -0.694   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       4.138  -1.106   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.198  -2.584   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.912  -2.997   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.198  -1.759   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.424   2.283   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -4.138   1.870   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -3.836   2.997   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -2.709   2.695   0.000  1.00  0.00           F  
CONECT    1    2    9   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5   19   23                                            
CONECT    7    5                                                      
CONECT    8    4                                                      
CONECT    9    1   10                                                 
CONECT   10    9   11   30                                            
CONECT   11   10   12                                                 
CONECT   12   11    1   13                                            
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   27                                            
CONECT   18   17   13                                                 
CONECT   19    6   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23   24                                            
CONECT   23   22    6                                                 
CONECT   24   22                                                      
CONECT   25   21   26                                                 
CONECT   26   25                                                      
CONECT   27   17   28   29                                            
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   10   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D04GCC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.710   2.005   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.004   2.417   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.719   2.005   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.433   2.417   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1       0.004   3.242   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1       2.147   2.005   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.862   2.417   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.862   3.242   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.147   3.655   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.433   3.242   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       3.576   3.655   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.425   2.417   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.139   2.005   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.139   1.180   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.425   0.767   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.710   1.180   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.854   0.767   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.854  -0.058   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.568  -0.470   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.568  -1.295   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.854  -1.708   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.139  -1.295   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.139  -0.470   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.283  -0.058   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.283   0.767   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1      -4.997  -0.470   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.854  -2.533   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.521  -3.018   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.266  -3.803   0.000  1.00  0.00           N  
HETATM   30  N   UNL     1      -2.441  -3.803   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.186  -3.018   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.956  -4.470   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1      -1.425  -0.058   0.000  1.00  0.00           F  
HETATM   34  H   UNL     1      -1.744   1.864   0.000  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.201   1.602   0.000  1.00  0.00           H  
HETATM   36  C   UNL     1       4.288   3.242   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1       3.579   2.014   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1       3.060   3.951   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1       4.997   4.470   0.000  1.00  0.00           F  
CONECT    1    2   12   16                                            
CONECT    2    1    3    5                                            
CONECT    3    2    4                                                 
CONECT    4    3    6   10                                            
CONECT    5    2                                                      
CONECT    6    4    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    8   36                                                 
CONECT   12    1   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17   34                                       
CONECT   15   14   16   33   35                                       
CONECT   16   15    1                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   27                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   19   25   26                                            
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   21   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30   27                                                 
CONECT   32   30                                                      
CONECT   33   15                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   37   38   39   11                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   36                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END

$$$$

$$$$

$$$$
D04GIJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.001   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.001  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.287  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.572  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.572   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.287   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.858   0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.143  -0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.429  -0.825   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.715  -0.412   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.715   0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.000  -0.825   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.000  -1.650   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       0.715  -0.412   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.429  -0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.143  -0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.858  -0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.572  -0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.572   0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.858   0.825   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.143   0.412   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.287   0.825   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       5.001   0.412   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1       4.287   1.650   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   21   25   26                                            
CONECT   25   24                                                      
CONECT   26   24                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D04GMP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.063   1.388   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.063   0.563   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.349   0.151   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.366   0.563   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.366   1.388   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.349   1.801   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.349  -0.674   0.000  1.00  0.00           N  
HETATM    8  S   UNL     1       0.366  -1.087   0.000  1.00  0.00           S  
HETATM    9  C   UNL     1       1.080  -0.674   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.218  -1.670   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1       0.778  -1.801   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.778   1.801   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.492   1.388   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.492   0.563   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.778   0.151   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.207   0.151   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.834  -1.010   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.386  -0.396   0.000  1.00  0.00           C  
HETATM   19  S   UNL     1       1.974   0.318   0.000  1.00  0.00           S  
HETATM   20  C   UNL     1       1.167   0.146   0.000  1.00  0.00           C  
HETATM   21 BR   UNL     1       3.207  -0.483   0.000  1.00  0.00          Br  
CONECT    1    2    6   12                                            
CONECT    2    1    3   15                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9   10   11                                       
CONECT    9    8   17   20                                            
CONECT   10    8                                                      
CONECT   11    8                                                      
CONECT   12    1   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14    2                                                 
CONECT   16   14                                                      
CONECT   17    9   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19    9                                                 
CONECT   21   18                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END

$$$$

$$$$

$$$$
D04GVY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.420   2.269   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.420   1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.706   1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.991   1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.991   2.269   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.706   2.681   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.135   2.681   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1      -2.706   3.506   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1      -1.277   2.681   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.706   0.206   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.991  -0.206   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -3.420  -0.206   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.991  -1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.706  -1.444   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.706  -2.269   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.991  -2.681   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.277  -2.269   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.277  -1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.420  -2.681   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.135  -2.269   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.420  -3.506   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.562  -1.031   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.562  -2.681   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.277   1.031   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.562   1.444   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       0.152   1.031   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.152   0.206   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.867  -0.206   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.581   0.206   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.581   1.031   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.867   1.444   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.296  -0.206   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.010   0.206   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.010   1.031   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.296   1.444   0.000  1.00  0.00           C  
HETATM   36  S   UNL     1       2.293   2.269   0.000  1.00  0.00           S  
HETATM   37  O   UNL     1       1.468   2.269   0.000  1.00  0.00           O  
HETATM   38  O   UNL     1       2.293   3.094   0.000  1.00  0.00           O  
HETATM   39  O   UNL     1       3.118   2.269   0.000  1.00  0.00           O  
HETATM   40  S   UNL     1       3.722  -0.206   0.000  1.00  0.00           S  
HETATM   41  O   UNL     1       3.310  -0.921   0.000  1.00  0.00           O  
HETATM   42  O   UNL     1       3.008   0.206   0.000  1.00  0.00           O  
HETATM   43  O   UNL     1       4.135   0.508   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   10                                            
CONECT    4    3    5   24                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1    8                                            
CONECT    7    1                                                      
CONECT    8    6                                                      
CONECT    9    5                                                      
CONECT   10    3   11   12                                            
CONECT   11   10   13                                                 
CONECT   12   10                                                      
CONECT   13   11   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   23                                            
CONECT   18   17   13   22                                            
CONECT   19   15   20   21                                            
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   18                                                      
CONECT   23   17                                                      
CONECT   24    4   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31   35                                            
CONECT   31   30   26                                                 
CONECT   32   29   33                                                 
CONECT   33   32   34   40                                            
CONECT   34   33   35                                                 
CONECT   35   34   30   36                                            
CONECT   36   35   37   38   39                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   36                                                      
CONECT   40   33   41   42   43                                       
CONECT   41   40                                                      
CONECT   42   40                                                      
CONECT   43   40                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
M  END

$$$$
D04GYR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.854   1.903   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.854   1.078   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.139   0.665   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.425   1.078   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.425   1.903   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.139   2.316   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.640   0.823   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.155   1.490   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.640   2.158   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.670   1.490   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.082   0.776   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.907   0.776   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.320   1.490   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.907   2.205   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.082   2.205   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.385   0.038   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.937  -0.575   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.682  -1.359   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.125  -1.531   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.677  -0.918   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1       0.422  -0.133   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1       0.380  -2.316   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.474  -1.131   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.057  -0.548   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.854  -0.761   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.640   0.035   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.469  -1.262   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   16                                            
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    7   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21   23                                            
CONECT   21   20   16                                                 
CONECT   22   19                                                      
CONECT   23   20   24                                                 
CONECT   24   23   25   26   27                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D04HBL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.583  -0.797   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.758  -0.797   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.345  -0.083   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.758   0.632   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.583   0.632   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.995  -0.083   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.520  -0.083   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.108  -0.797   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.283  -0.797   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.870  -1.512   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.045  -1.512   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.560  -2.179   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.224  -1.924   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.224  -1.099   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.560  -0.844   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.815  -0.059   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.892  -2.409   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.645  -2.073   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.313  -2.558   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.227  -3.379   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.894  -3.864   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.648  -3.528   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.734  -2.708   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.067  -2.223   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.488  -2.372   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       5.155  -2.857   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       5.909  -2.521   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.995  -1.701   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.328  -1.216   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.574  -1.552   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.263   0.554   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.518   1.338   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.325   1.510   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.877   0.897   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.622   0.112   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.580   2.294   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.028   2.908   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.283   3.692   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.090   3.864   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.642   3.251   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.387   2.466   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       3.151  -1.401   0.000  1.00  0.00           C  
HETATM   43  N   UNL     1       3.977  -1.401   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   11   16                                            
CONECT   16   15   31   35                                            
CONECT   17   13   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   19   42                                            
CONECT   25   23   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   16   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   36                                            
CONECT   34   33   35                                                 
CONECT   35   34   16                                                 
CONECT   36   33   37   41                                            
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41                                                 
CONECT   41   40   36                                                 
CONECT   42   24   43                                                 
CONECT   43   42                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
M  END

$$$$
D04HCS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.129   0.420   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.332   0.633   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.749   0.050   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.048   0.264   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.763  -0.149   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.175   0.566   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.461   0.978   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       1.972   0.779   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       2.555   0.196   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.342  -0.601   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.925  -1.184   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.722  -0.971   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.936  -0.174   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.352   0.409   0.000  1.00  0.00           C  
HETATM   15  F   UNL     1       4.733   0.040   0.000  1.00  0.00           F  
HETATM   16  C   UNL     1       4.306  -1.554   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.770   0.939   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.462   0.490   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.248  -0.307   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.425  -0.350   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.813   1.763   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.548   2.138   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.240   1.688   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.197   0.864   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1      -4.889   0.415   0.000  1.00  0.00           F  
HETATM   26  O   UNL     1      -1.332   1.458   0.000  1.00  0.00           O  
HETATM   27  F   UNL     1       2.712  -1.981   0.000  1.00  0.00           F  
HETATM   28  C   UNL     1       4.889  -2.138   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.889  -0.971   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.722  -2.138   0.000  1.00  0.00           C  
CONECT    1    2   17   20                                            
CONECT    2    1    3   26                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    7    8                                            
CONECT    7    6    4                                                 
CONECT    8    6    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   27                                            
CONECT   12   11   13   16                                            
CONECT   13   12   14   15                                            
CONECT   14   13    9                                                 
CONECT   15   13                                                      
CONECT   16   12   28   29   30                                       
CONECT   17    1   18   21                                            
CONECT   18   17   19   24                                            
CONECT   19   18   20                                                 
CONECT   20   19    1                                                 
CONECT   21   17   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   18   25                                            
CONECT   25   24                                                      
CONECT   26    2                                                      
CONECT   27   11                                                      
CONECT   28   16                                                      
CONECT   29   16                                                      
CONECT   30   16                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D04HEW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.865   1.506   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.680   0.702   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.284   0.140   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       3.073   0.383   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       3.258   1.187   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.654   1.748   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.981   0.265   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.252   0.651   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.447   0.213   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.417  -0.611   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.312  -0.998   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.011  -0.560   0.000  1.00  0.00           C  
HETATM   13  S   UNL     1      -1.116  -1.049   0.000  1.00  0.00           S  
HETATM   14  C   UNL     1      -1.815  -1.487   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.554  -0.350   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1      -0.678  -1.748   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.544  -1.101   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.243  -1.539   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.972  -1.152   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.574  -0.276   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       3.972   1.599   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       2.284  -0.685   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4   22                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   21                                            
CONECT    6    5    1                                                 
CONECT    7    2    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15   16                                       
CONECT   14   13   17                                                 
CONECT   15   13                                                      
CONECT   16   13                                                      
CONECT   17   14   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18                                                      
CONECT   20   17                                                      
CONECT   21    5                                                      
CONECT   22    3                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D04HMP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.759  -0.370   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.759  -1.195   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.044  -1.607   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.330  -1.195   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.330  -0.370   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.044   0.043   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.615  -1.607   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.099  -1.195   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.814  -1.607   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.528  -1.195   0.000  1.00  0.00           C  
HETATM   11  B   UNL     1       2.243  -1.607   0.000  1.00  0.00           B  
HETATM   12  O   UNL     1       2.957  -1.195   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -3.473   0.043   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -4.188  -0.370   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.099  -0.370   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.528  -0.370   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.243   0.043   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.996  -0.293   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       3.548   0.320   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       3.136   1.035   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.329   0.863   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.391   1.819   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.839   2.432   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.032   2.261   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.777   1.476   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.188   2.033   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       2.243  -2.432   0.000  1.00  0.00           O  
CONECT    1    2    6   13                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   15                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   16                                            
CONECT   11   10   12   27                                            
CONECT   12   11                                                      
CONECT   13    1   14                                                 
CONECT   14   13                                                      
CONECT   15    8                                                      
CONECT   16   10   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   17   25                                            
CONECT   22   20   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
CONECT   26   22                                                      
CONECT   27   11                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D04HQH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.140   0.239   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.140  -0.586   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.425  -0.998   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.289  -0.586   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.289   0.239   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.425   0.652   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.753  -1.138   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -1.417  -1.892   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.597  -1.805   0.000  1.00  0.00           C  
HETATM   10  S   UNL     1       1.074  -0.841   0.000  1.00  0.00           S  
HETATM   11  C   UNL     1       1.559  -0.173   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.074   0.494   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.329   1.279   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.777   1.892   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       2.136   1.450   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       2.384  -0.173   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       2.796  -0.888   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.384  -1.602   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       3.621  -0.888   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.560  -0.966   0.000  1.00  0.00           C  
HETATM   21  S   UNL     1      -2.815  -0.182   0.000  1.00  0.00           S  
HETATM   22  C   UNL     1      -2.262   0.431   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.621  -0.010   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.028   0.615   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6   12                                            
CONECT    6    5    1                                                 
CONECT    7    2    8   20                                            
CONECT    8    7    9                                                 
CONECT    9    8    3                                                 
CONECT   10    4   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11    5   13                                            
CONECT   13   12   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   11   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20    7   21                                                 
CONECT   21   20   22   23   24                                       
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24   21                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END

$$$$

$$$$
D04HTM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.706   1.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.706   1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.420   0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.135   1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.135   1.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.420   2.269   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.420  -0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.135  -0.619   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       2.849  -0.206   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       2.135  -1.444   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.420  -1.856   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.420  -2.681   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.135  -3.094   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.849  -2.681   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.849  -1.856   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.706  -1.444   0.000  1.00  0.00           C  
HETATM   17 CL   UNL     1       1.420   3.094   0.000  1.00  0.00          Cl  
HETATM   18  N   UNL     1      -0.009   2.269   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.723   1.856   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.477   2.192   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.029   1.579   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.616   0.864   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.809   1.036   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.849   1.665   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.648   2.999   0.000  1.00  0.00           C  
CONECT    1    2    6   18                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   17                                            
CONECT    7    3    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11   15                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   11                                                      
CONECT   17    6                                                      
CONECT   18    1   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21   25                                            
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   19                                                 
CONECT   24   21                                                      
CONECT   25   20                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D04IFL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -0.001   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -0.826   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -1.239   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -0.826   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072  -0.001   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   0.411   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.357  -1.239   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.357  -0.826   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.357  -0.001   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.357   0.411   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.357   1.236   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       1.072   0.411   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.786  -0.001   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.501   0.411   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.501   1.236   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.786   1.649   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.072   1.236   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       3.215  -0.001   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.786   1.236   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.498   1.647   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.215  -1.239   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.215  -2.061   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       3.215   1.649   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       3.215   2.471   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.215  -0.826   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.503  -1.238   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.791  -0.826   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.079  -1.238   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.079  -2.060   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.791  -2.471   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.503  -2.060   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2   21    1    3                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6   19    5    1                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    9   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   23   14   16                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   25   14                                                 
CONECT   19   20    6                                                 
CONECT   20   19                                                      
CONECT   21   22    2                                                 
CONECT   22   21                                                      
CONECT   23   24   15                                                 
CONECT   24   23                                                      
CONECT   25   26   18                                                 
CONECT   26   27   31   25                                            
CONECT   27   28   26                                                 
CONECT   28   29   27                                                 
CONECT   29   30   28                                                 
CONECT   30   31   29                                                 
CONECT   31   30   26                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D04IGE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.494  -0.704   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.494  -1.529   0.000  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.780  -1.942   0.000  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.066  -1.529   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.066  -0.704   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.780  -0.292   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.649  -1.942   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.363  -1.529   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.363  -0.704   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.649  -0.292   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.078  -1.942   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       2.792  -1.529   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.792  -0.704   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.078  -0.292   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       3.507  -1.942   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.209  -1.117   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.209  -1.942   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.078  -0.121   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.078   0.704   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.363   1.117   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.792   1.117   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.507   0.704   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.507  -0.121   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.792   1.942   0.000  1.00  0.00           C  
CONECT    1    2    6   18                                            
CONECT    2    1    3   16   17                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10   14                                            
CONECT   10    9    5                                                 
CONECT   11    8   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12                                                      
CONECT   16    2                                                      
CONECT   17    2                                                      
CONECT   18    1   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19                                                      
CONECT   21   19   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22                                                      
CONECT   24   21                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D04IGZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.337  -0.030   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.046  -0.223   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.221  -0.223   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.809   0.491   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.221   1.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.046   1.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.459   0.491   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.984   0.491   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.159   0.491   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.334   0.491   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.151  -0.176   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.936   0.079   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.936   0.904   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.151   1.159   0.000  1.00  0.00           C  
HETATM   15  F   UNL     1      -0.708   1.226   0.000  1.00  0.00           F  
HETATM   16  C   UNL     1       1.603  -0.406   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.517  -1.226   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       3.030  -0.477   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.744  -0.065   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.459  -0.477   0.000  1.00  0.00           C  
CONECT    1   16   18                                                 
CONECT    2    3    7                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    2                                                 
CONECT    8    4    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   14   15                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   10                                                      
CONECT   16   12   17    1                                            
CONECT   17   16                                                      
CONECT   18    1   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D04ILM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -0.715   0.412   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1       0.000   0.000   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.715   1.238   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       0.715   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.429   0.000   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.429  -0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.143  -1.238   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.858  -0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.858   0.000   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.143   0.412   0.000  1.00  0.00           C  
HETATM   17 CL   UNL     1       2.143   1.238   0.000  1.00  0.00          Cl  
HETATM   18  O   UNL     1      -0.715  -0.412   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.959   0.805   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.766   0.977   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   19                                            
CONECT    7    5    8    9   18                                       
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11   17                                            
CONECT   17   16                                                      
CONECT   18    7                                                      
CONECT   19    6   20                                                 
CONECT   20   19                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D04JCD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.277  -0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.277  -1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.562  -1.856   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.848  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.848  -0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.562  -0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.991  -0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.133  -0.206   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.419  -0.619   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -1.133   0.619   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.296  -0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.010  -0.619   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.724  -0.206   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.724   0.619   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.010   1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.296   0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.010  -1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.296  -1.856   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.296  -2.681   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.010  -3.094   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.724  -2.681   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.724  -1.856   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.077   0.614   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1      -4.884   0.786   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.297   0.071   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.745  -0.542   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.220   1.539   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1      -1.133  -1.856   0.000  1.00  0.00           F  
HETATM   29  C   UNL     1       2.439   1.031   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       2.439   1.856   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       3.153   2.269   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       3.153   3.094   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       3.868   1.856   0.000  1.00  0.00           C  
HETATM   34  S   UNL     1       4.582   2.269   0.000  1.00  0.00           S  
HETATM   35  C   UNL     1       5.297   1.856   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1       3.999   2.852   0.000  1.00  0.00           O  
HETATM   37  O   UNL     1       5.166   2.852   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1      -3.992  -1.856   0.000  1.00  0.00           C  
HETATM   39  F   UNL     1      -3.283  -3.084   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1      -5.220  -2.565   0.000  1.00  0.00           F  
HETATM   41  F   UNL     1      -4.701  -0.628   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3   38                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   28                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    1   23   26                                            
CONECT    8    5    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9   12   16                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   29                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   12   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23    7   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25    7                                                 
CONECT   27   24                                                      
CONECT   28    4                                                      
CONECT   29   14   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   33                                            
CONECT   32   31                                                      
CONECT   33   31   34                                                 
CONECT   34   33   35   36   37                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
CONECT   38   39   40   41    2                                       
CONECT   39   38                                                      
CONECT   40   38                                                      
CONECT   41   38                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END

$$$$

$$$$

$$$$
D04JEH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   1.444   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -3.215  -0.206   0.000  1.00  0.00          Cl  
HETATM    8  O   UNL     1      -0.357  -0.206   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.357  -1.031   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.357   1.444   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.357   2.269   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.072   2.681   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.357   2.681   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.357   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.072   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.786   1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.501   1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.501   2.269   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.786   2.681   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.072   2.269   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       1.786   0.206   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       2.501  -0.206   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.501  -1.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.215   0.206   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.072  -1.444   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.072  -2.269   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.357  -2.681   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.357  -2.269   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.357  -1.444   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    4    9                                                 
CONECT    9    8   25   29                                            
CONECT   10    5   11   14                                            
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14   10   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   16   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25    9   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28    9                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D04JIH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.342   0.891   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.342   0.066   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.628  -0.347   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.913   0.066   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.913   0.891   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.628   1.303   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.129  -0.189   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.356   0.478   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.129   1.145   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.126   1.930   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.126  -0.974   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.933  -1.145   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       1.485  -0.532   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.188  -1.930   0.000  1.00  0.00           C  
HETATM   15  H   UNL     1      -3.057   1.303   0.000  1.00  0.00           H  
HETATM   16  H   UNL     1      -1.628  -1.172   0.000  1.00  0.00           H  
HETATM   17  C   UNL     1       0.933   2.102   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.188   2.886   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.636   3.499   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.171   3.328   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.426   2.543   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.636  -2.543   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.891  -3.328   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.698  -3.499   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.250  -2.886   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.995  -2.102   0.000  1.00  0.00           C  
HETATM   27  H   UNL     1      -0.723   3.941   0.000  1.00  0.00           H  
HETATM   28  O   UNL     1       0.891   4.284   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1       1.995   3.058   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       1.485   1.489   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       2.547  -1.489   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       3.057  -3.058   0.000  1.00  0.00           O  
HETATM   33  O   UNL     1       1.953  -4.284   0.000  1.00  0.00           O  
HETATM   34  H   UNL     1       0.339  -3.941   0.000  1.00  0.00           H  
HETATM   35  O   UNL     1      -3.057   0.066   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1      -2.343  -0.347   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1      -1.270   1.922   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1      -0.556   1.509   0.000  1.00  0.00           C  
CONECT    1    2    6   15                                            
CONECT    2    1    3   35                                            
CONECT    3    2    4   16                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   37                                            
CONECT    7    4    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9   17   21                                            
CONECT   11    7   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12                                                      
CONECT   14   12   22   26                                            
CONECT   15    1                                                      
CONECT   16    3                                                      
CONECT   17   10   18   30                                            
CONECT   18   17   19   29                                            
CONECT   19   18   20   28                                            
CONECT   20   19   21   27                                            
CONECT   21   20   10                                                 
CONECT   22   14   23                                                 
CONECT   23   22   24   34                                            
CONECT   24   23   25   33                                            
CONECT   25   24   26   32                                            
CONECT   26   25   14   31                                            
CONECT   27   20                                                      
CONECT   28   19                                                      
CONECT   29   18                                                      
CONECT   30   17                                                      
CONECT   31   26                                                      
CONECT   32   25                                                      
CONECT   33   24                                                      
CONECT   34   23                                                      
CONECT   35    2   36                                                 
CONECT   36   35                                                      
CONECT   37    6   38                                                 
CONECT   38   37                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D04JJM
  -OEChem-09301911202D

 58 65  0     1  0  0  0  0  0999 V2000
    7.5253    2.3172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3271   -1.4246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2501    0.6180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9273   -0.6474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2433    1.2320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0179   -0.0555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5826   -1.1645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0031    0.3687    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2619    1.3346    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2748   -0.4260    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0519    0.2034    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6936    1.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9425   -0.4737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6005    0.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2853   -1.2819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5776    0.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9003   -1.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5840    1.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2582   -1.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9019   -0.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9733   -1.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6436    1.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4406   -1.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8672   -0.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7162   -2.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7995    2.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7979   -3.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8535    2.3231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7250    0.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5644   -3.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0250    3.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2181   -1.8786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5988   -3.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0454    3.3403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5054    0.7321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2351    0.7152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412   -0.6781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4668    0.6641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3014    1.2593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6745    1.7566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1783   -0.6543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0413   -2.2187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8703   -2.1912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2919   -2.0478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3884    3.1820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2171   -3.2360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2692    2.1157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1634    0.2132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1634    1.0900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2866    1.0900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0486   -3.6892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1470    4.2830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9366   -2.4310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7705   -2.1600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4996   -1.3262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5009   -4.2873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5769    3.7463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
 10  2  1  1  0  0  0
  2 32  1  0  0  0  0
  3 24  2  0  0  0  0
  4  8  1  0  0  0  0
  4 13  1  0  0  0  0
  4 17  1  0  0  0  0
  5  9  1  0  0  0  0
  5 14  1  0  0  0  0
  5 18  1  0  0  0  0
 11  6  1  1  0  0  0
  6 29  1  0  0  0  0
  6 41  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 47  1  0  0  0  0
  8 10  1  0  0  0  0
  8 35  1  0  0  0  0
  9 12  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 38  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 19  2  0  0  0  0
 15 21  1  0  0  0  0
 16 20  2  0  0  0  0
 16 22  1  0  0  0  0
 17 21  1  0  0  0  0
 17 25  2  0  0  0  0
 18 22  1  0  0  0  0
 18 26  2  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 27  2  0  0  0  0
 22 28  2  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 25 30  1  0  0  0  0
 25 44  1  0  0  0  0
 26 31  1  0  0  0  0
 26 45  1  0  0  0  0
 27 33  1  0  0  0  0
 27 46  1  0  0  0  0
 28 34  1  0  0  0  0
 28 48  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
 29 51  1  0  0  0  0
 30 33  2  0  0  0  0
 30 52  1  0  0  0  0
 31 34  2  0  0  0  0
 31 53  1  0  0  0  0
 32 54  1  0  0  0  0
 32 55  1  0  0  0  0
 32 56  1  0  0  0  0
 33 57  1  0  0  0  0
 34 58  1  0  0  0  0
M  END

$$$$
D04JLF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.200  -1.772   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.375  -1.777   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.037  -1.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.863  -1.062   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.117  -0.278   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       0.450   0.207   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.217  -0.278   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.275  -1.777   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.100  -1.777   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.513  -2.491   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.513  -1.062   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       2.100  -3.205   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.513  -3.920   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.337  -3.920   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.750  -3.205   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.337  -2.491   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.684  -1.104   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.469  -1.359   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.469  -2.183   0.000  1.00  0.00           C  
HETATM   20  S   UNL     1      -1.684  -2.439   0.000  1.00  0.00           S  
HETATM   21  C   UNL     1      -3.184  -0.946   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.898  -1.359   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.898  -2.183   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.184  -2.596   0.000  1.00  0.00           C  
HETATM   25 CL   UNL     1      -4.613  -2.596   0.000  1.00  0.00          Cl  
HETATM   26  C   UNL     1       0.450   1.032   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       1.164   1.445   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.265   1.445   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       1.164   2.270   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.879   2.683   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.593   2.270   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.308   2.683   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.308   3.507   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.593   3.920   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.879   3.507   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1       2.042  -2.997   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1       2.756  -3.410   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1       3.898  -1.925   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1       4.613  -2.338   0.000  1.00  0.00           C  
CONECT    1    2   17   20                                            
CONECT    2    1    3                                                 
CONECT    3    4    7    2                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7   26                                            
CONECT    7    6    3                                                 
CONECT    8    9    4                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   12   16                                            
CONECT   11    9                                                      
CONECT   12   10   13   36                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   10   38                                            
CONECT   17    1   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20   24                                            
CONECT   20   19    1                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   19                                                 
CONECT   25   23                                                      
CONECT   26    6   27   28                                            
CONECT   27   26   29                                                 
CONECT   28   26                                                      
CONECT   29   27   30                                                 
CONECT   30   29   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
CONECT   36   12   37                                                 
CONECT   37   36                                                      
CONECT   38   16   39                                                 
CONECT   39   38                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D04JUD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.024   0.171   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.024  -0.654   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.310  -1.067   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.595  -0.654   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.595   0.171   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.310   0.583   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.310   1.408   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.595   1.821   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.881   1.408   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.166   1.821   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.166   2.646   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.881   3.058   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.595   2.646   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.452   1.408   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.365   0.588   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       0.441   0.416   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.854   1.131   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.302   1.744   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.918  -0.025   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.663  -0.810   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.144  -0.981   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.696  -0.368   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.310  -1.892   0.000  1.00  0.00           N  
HETATM   24  S   UNL     1      -3.893  -2.475   0.000  1.00  0.00           S  
HETATM   25  O   UNL     1      -4.476  -1.892   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1      -4.476  -3.058   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.310  -3.058   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       1.503  -0.540   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       2.055   0.073   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.862  -0.098   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.117  -0.883   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.924  -1.054   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.476  -0.441   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.221   0.344   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.414   0.515   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   23                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15   18                                            
CONECT   15   14   16   19                                            
CONECT   16   15   17   22                                            
CONECT   17   16   18                                                 
CONECT   18   17   14                                                 
CONECT   19   15   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   16   28                                            
CONECT   23    3   24                                                 
CONECT   24   23   25   26   27                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
CONECT   28   22   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D04JVY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.586   1.528   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.586   2.353   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.872   2.765   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.872   3.590   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.586   4.003   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.301   3.590   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.301   2.765   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.157   4.003   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.557   3.590   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.557   2.765   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.272   2.353   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.986   2.765   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.986   3.590   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.272   4.003   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       2.700   2.353   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       2.700   1.528   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.986   1.115   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       3.415   1.115   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.415   0.290   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.130  -0.122   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.844   0.290   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.844   1.115   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.130   1.528   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       4.135  -1.110   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       3.422  -1.527   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.426  -2.352   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       2.706  -1.118   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       2.714  -2.768   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.718  -3.593   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.301   1.115   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -3.054   1.451   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1      -3.607   0.838   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.194   0.123   0.000  1.00  0.00           C  
HETATM   34  S   UNL     1      -2.387   0.295   0.000  1.00  0.00           S  
HETATM   35  C   UNL     1      -4.431   0.838   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.844   0.123   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.431  -0.591   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.607  -0.591   0.000  1.00  0.00           C  
HETATM   39  N   UNL     1       2.715  -3.590   0.000  1.00  0.00           N  
HETATM   40  C   UNL     1       2.715  -2.765   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       3.430  -4.003   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.873   1.115   0.000  1.00  0.00           C  
HETATM   43  N   UNL     1      -1.698   1.115   0.000  1.00  0.00           N  
CONECT    1    2   30   42                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    2                                                 
CONECT    8    4    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   20   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   28                                                 
CONECT   27   25                                                      
CONECT   28   26   29                                                 
CONECT   29   28   39                                                 
CONECT   30    1   31   34                                            
CONECT   31   30   32                                                 
CONECT   32   31   33   35                                            
CONECT   33   32   34   38                                            
CONECT   34   33   30                                                 
CONECT   35   32   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   33                                                 
CONECT   39   29   40   41                                            
CONECT   40   39                                                      
CONECT   41   39                                                      
CONECT   42    1   43                                                 
CONECT   43   42                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
M  END

$$$$
D04JWR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1 AR   UNL     1      -0.357   0.619   0.000  1.00  0.00          Ar  
HETATM    2  C   UNL     1      -1.072   1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786   0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072   1.856   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.215  -0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.501  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.786  -0.206   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.930   1.031   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.644   0.619   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.930  -0.619   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -4.644  -0.206   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.501  -1.444   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.786  -1.856   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.357   0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.072  -0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.786  -0.619   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.501  -0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.215  -0.619   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       3.215  -1.444   0.000  1.00  0.00           O  
HETATM   22  N   UNL     1       3.930  -0.206   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1       4.644  -0.619   0.000  1.00  0.00           O  
CONECT    1    2   16                                                 
CONECT    2    1    3    4                                            
CONECT    3    2    5    9                                            
CONECT    4    2                                                      
CONECT    5    3    6                                                 
CONECT    6    5    7   10                                            
CONECT    7    6    8   12                                            
CONECT    8    7    9   14                                            
CONECT    9    8    3                                                 
CONECT   10    6   11                                                 
CONECT   11   10                                                      
CONECT   12    7   13                                                 
CONECT   13   12                                                      
CONECT   14    8   15                                                 
CONECT   15   14                                                      
CONECT   16    1   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20                                                      
CONECT   22   20   23                                                 
CONECT   23   22                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D04JZE
  -OEChem-10101305022D

 42 45  0     0  0  0  0  0  0999 V2000
    6.6233   -3.3967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5231    1.3620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2248    0.0148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2964   -2.2834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9240   -1.6910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2552    0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2552    1.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5972   -0.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1212    1.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544   -1.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1212    2.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3892    1.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5820   -0.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9697   -1.1701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0152    1.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2552    3.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3892    2.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0152    3.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2812   -2.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9212    1.8412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9212    2.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3269   -1.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6276   -0.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3420   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6428   -0.0567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6859    0.6076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8658    0.4697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0080    0.7074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2552    3.9820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8522    3.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8979   -2.7583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0080    4.0167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5346   -1.7986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4570    1.5292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4570    3.1949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5389   -2.5188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0261    0.2446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9862    1.6720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9435   -2.2374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4307    0.5259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.7151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2 12  1  0  0  0  0
  2 39  1  0  0  0  0
  3 13  2  0  0  0  0
  4 10  1  0  0  0  0
  4 19  1  0  0  0  0
  4 32  1  0  0  0  0
  5 13  1  0  0  0  0
  5 19  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  2  0  0  0  0
 10 14  1  0  0  0  0
 11 16  1  0  0  0  0
 11 18  2  0  0  0  0
 12 17  1  0  0  0  0
 14 22  2  0  0  0  0
 14 23  1  0  0  0  0
 15 20  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  2  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 21  1  0  0  0  0
 18 33  1  0  0  0  0
 20 21  2  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 24  1  0  0  0  0
 22 37  1  0  0  0  0
 23 25  2  0  0  0  0
 23 38  1  0  0  0  0
 24 26  2  0  0  0  0
 24 40  1  0  0  0  0
 25 26  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  END

$$$$
D04KQB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.705   2.171   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.705   1.345   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.489   1.091   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.974   1.758   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.489   2.425   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.010   2.583   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.724   2.171   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.724   1.345   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.010   0.933   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -1.439   0.933   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.192   1.268   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.744   0.655   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.332  -0.059   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.525   0.113   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.912  -0.440   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.324  -1.154   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.912  -1.869   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.087  -1.869   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.326  -1.154   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.087  -0.440   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1      -1.324  -2.583   0.000  1.00  0.00           F  
HETATM   22  N   UNL     1       1.744   0.306   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.551   0.134   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       3.103   0.748   0.000  1.00  0.00           O  
HETATM   25  N   UNL     1       2.806  -0.650   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       2.432  -1.385   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.167  -1.760   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.541  -1.025   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       3.422  -2.545   0.000  1.00  0.00           O  
HETATM   30  F   UNL     1      -3.157   1.370   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -3.541   0.442   0.000  1.00  0.00           F  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   22                                            
CONECT    4    3    5                                                 
CONECT    5    4    1                                                 
CONECT    6    1    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   30   31                                       
CONECT   13   12   14                                                 
CONECT   14   13   10   15                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   17                                                      
CONECT   22    3   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23                                                      
CONECT   25   23   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   25                                                 
CONECT   29   27                                                      
CONECT   30   12                                                      
CONECT   31   12                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D04KQU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.062  -0.357   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.650  -1.072   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.825  -1.072   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.412  -0.357   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.825   0.357   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.650   0.357   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.412  -0.357   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.825   0.357   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.825  -1.072   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.650  -1.072   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.062  -1.786   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.888  -1.786   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.300  -1.072   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.888  -0.357   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.062  -0.357   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.125  -1.072   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       4.537  -1.786   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       4.537  -0.357   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       4.125   0.357   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1      -2.888  -0.357   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.300   0.357   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.125   0.357   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.537  -0.357   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.125  -1.072   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.300  -1.072   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       1.650   0.357   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.062   1.072   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.650   1.786   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.825   1.786   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.412   1.072   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -0.412   1.072   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -0.825   1.786   0.000  1.00  0.00           C  
CONECT    1    2    6   20                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   26   30                                            
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18                                                      
CONECT   20    1   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26    8   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29    8   31                                            
CONECT   31   30   32                                                 
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D04KUD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.099  -1.224   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.845  -2.006   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.040  -2.177   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.490  -1.566   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.744  -0.784   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.549  -0.613   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.668  -1.566   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.414  -0.784   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.079  -0.301   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.118  -2.177   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.686  -2.006   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.940  -1.224   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.390  -0.613   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.079   0.521   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.367   0.932   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.367   1.755   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.345   2.166   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.345   2.988   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.057   3.399   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.791   0.932   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.367   3.399   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.236  -2.617   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.040  -2.446   0.000  1.00  0.00           N  
HETATM   24  O   UNL     1       0.982  -3.399   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1       2.295  -1.664   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       3.099  -1.493   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9   13                                            
CONECT    9    8    5   14                                            
CONECT   10    7   11                                                 
CONECT   11   10   12   22                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    9   15   20                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18                                                      
CONECT   20   14                                                      
CONECT   21   18                                                      
CONECT   22   11   23   24                                            
CONECT   23   22   25                                                 
CONECT   24   22                                                      
CONECT   25   23   26                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D04KUJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.466   2.075   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.466   1.250   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.752   0.838   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.038   1.250   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.038   2.075   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.752   2.488   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.323   0.838   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.237   0.017   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.430  -0.154   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.017   0.560   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.569   1.173   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -5.181   2.488   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1      -2.850  -0.535   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.635  -0.280   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.248  -0.832   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.076  -1.639   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.292  -1.894   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.678  -1.342   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.210   0.732   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.045   1.516   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.507   2.130   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.315   1.958   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1       0.342   0.119   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       0.087  -0.666   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.639  -1.279   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.446  -1.107   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.701  -0.323   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.149   0.290   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.232  -1.904   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.243  -0.894   0.000  1.00  0.00           C  
HETATM   31 CL   UNL     1      -1.894  -1.597   0.000  1.00  0.00          Cl  
HETATM   32  C   UNL     1       2.957  -1.306   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       3.754  -1.093   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1       2.849  -2.124   0.000  1.00  0.00           O  
HETATM   35  O   UNL     1       0.435  -2.118   0.000  1.00  0.00           O  
HETATM   36  N   UNL     1       1.815  -2.488   0.000  1.00  0.00           N  
HETATM   37  C   UNL     1       5.181  -1.506   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       4.466  -1.093   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   19                                            
CONECT   11   10    7   22                                            
CONECT   12    1                                                      
CONECT   13    8   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13   31                                            
CONECT   19   10   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   11                                                 
CONECT   23   19   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29   30                                       
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   26   35   36                                            
CONECT   30   26   32                                                 
CONECT   31   18                                                      
CONECT   32   30   33   34                                            
CONECT   33   32   38                                                 
CONECT   34   32                                                      
CONECT   35   29                                                      
CONECT   36   29                                                      
CONECT   37   38                                                      
CONECT   38   33   37                                                 
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D04KXV
  -OEChem-09301911272D

 62 64  0     1  0  0  0  0  0999 V2000
    5.4641   -6.3100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.3100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -2.9440    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -4.6760    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    5.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -5.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -5.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    5.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    3.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    3.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.2583    5.1900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.3923    5.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    4.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908    6.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938    6.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728   -3.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742   -3.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4704    3.6074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8689    4.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9893    5.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1233    4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8501   -0.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4516   -0.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -5.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
  2 39  1  0  0  0  0
  3 39  1  0  0  0  0
  4 39  1  0  0  0  0
  5 18  1  0  0  0  0
  5 57  1  0  0  0  0
  6 29  1  0  0  0  0
  6 39  1  0  0  0  0
  7 26  2  0  0  0  0
  8 30  1  0  0  0  0
  8 61  1  0  0  0  0
  9 30  2  0  0  0  0
 10 38  1  0  0  0  0
 10 62  1  0  0  0  0
 11 36  2  0  0  0  0
 17 12  1  1  0  0  0
 12 26  1  0  0  0  0
 12 48  1  0  0  0  0
 13 19  1  0  0  0  0
 13 23  1  0  0  0  0
 13 49  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  2  0  0  0  0
 15 23  1  0  0  0  0
 15 28  1  0  0  0  0
 15 52  1  0  0  0  0
 16 27  1  0  0  0  0
 16 36  1  0  0  0  0
 16 58  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 30  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 24 29  1  0  0  0  0
 24 50  1  0  0  0  0
 25 31  2  0  0  0  0
 25 51  1  0  0  0  0
 26 27  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
 28 33  1  0  0  0  0
 28 35  2  0  0  0  0
 29 34  2  0  0  0  0
 31 34  1  0  0  0  0
 32 33  2  0  0  0  0
 32 36  1  0  0  0  0
 32 37  1  0  0  0  0
 33 55  1  0  0  0  0
 34 56  1  0  0  0  0
 35 38  1  0  0  0  0
 35 59  1  0  0  0  0
 37 38  2  0  0  0  0
 37 60  1  0  0  0  0
M  END

$$$$
D04LJF
  -OEChem-09301911142D

 44 46  0     0  0  0  0  0  0999 V2000
    3.7601   -1.4798    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    1.5202    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    2.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7601   -1.4798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7601   -1.4798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.4798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -4.0186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -4.0186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    1.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    1.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940    1.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    0.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940    0.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -2.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -3.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -3.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    3.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202   -2.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    2.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    4.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3582    3.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    4.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3582    4.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2231    1.8302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2367    0.9126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8382    1.6028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6820    1.6028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2835    0.9126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8382   -0.5624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2367    0.1279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2835    0.1279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6820   -0.5624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8956   -4.5202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916   -2.1689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -2.5670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -3.3482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7117   -3.3482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1098   -2.5670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3286   -2.1689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0892    4.3302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8951    2.7102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    5.1402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8951    4.3302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  1 14  1  0  0  0  0
  2 20  1  0  0  0  0
  3  9  1  0  0  0  0
  3 17  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 34  1  0  0  0  0
  8 16  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
 10 12  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 13  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 41  1  0  0  0  0
 22 24  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  2  0  0  0  0
 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
M  END

$$$$
D04LLK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNK A   0      -4.287   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNK A   0      -4.287   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNK A   0      -3.572   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNK A   0      -2.858   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNK A   0      -2.858   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNK A   0      -3.572   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNK A   0      -2.143   0.412   0.000  1.00  0.00           C  
HETATM    8  O   UNK A   0      -1.429   0.825   0.000  1.00  0.00           O  
HETATM    9  C   UNK A   0      -0.715   0.412   0.000  1.00  0.00           C  
HETATM   10  N   UNK A   1       0.000   0.825   0.000  1.00  0.00           N  
HETATM   11  C   UNK A   1       0.715   0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNK A   1       1.429   0.825   0.000  1.00  0.00           C  
ATOM     13  N   GLY A   2       2.143   0.412   0.000  1.00  0.00           N  
ATOM     14  CA  GLY A   2       2.858   0.825   0.000  1.00  0.00           C  
ATOM     15  C   GLY A   2       3.572   0.412   0.000  1.00  0.00           C  
ATOM     16  O   GLY A   2       4.287   0.825   0.000  1.00  0.00           O  
ATOM     17  OXT GLY A   2       3.572  -0.412   0.000  1.00  0.00           O  
HETATM   18  O   UNK A   1       1.429   1.650   0.000  1.00  0.00           O  
HETATM   19  O   UNK A   0      -0.715  -0.412   0.000  1.00  0.00           O  
HETATM   20  C   UNK A   1       0.715  -0.412   0.000  1.00  0.00           C  
HETATM   21  O   UNK A   1       1.429  -0.825   0.000  1.00  0.00           O  
HETATM   22  C   UNK A   1       1.429  -1.650   0.000  1.00  0.00           C  
HETATM   23  C   UNK A   1       2.143  -2.062   0.000  1.00  0.00           C  
HETATM   24  O   UNK A   1       0.715  -2.062   0.000  1.00  0.00           O  
HETATM   25 CL   UNK A   1       2.858  -1.650   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   19                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   20                                            
CONECT   12   11   13   18                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15                                                      
CONECT   17   15                                                      
CONECT   18   12                                                      
CONECT   19    9                                                      
CONECT   20   11   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   25                                                 
CONECT   24   22                                                      
CONECT   25   23                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D04LRT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.674   1.623   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.960   2.035   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.245   1.623   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.245   0.798   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.469   0.385   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.184   0.798   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.184   1.623   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.469   2.035   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.898   0.385   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.613   0.798   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.613   1.623   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.898   2.035   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       3.327   2.035   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       4.042   1.623   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       3.327   2.860   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.898  -0.440   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.184  -0.852   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.184  -1.677   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.898  -2.090   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.613  -1.677   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.613  -0.852   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.428   1.958   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.980   1.345   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.567   0.631   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.760   0.802   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.683   2.743   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.490   2.915   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.042   2.301   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.787   1.517   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.177   0.219   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       1.898  -2.915   0.000  1.00  0.00           F  
HETATM   32  C   UNL     1      -1.391  -0.578   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1      -2.185  -0.365   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -1.603  -1.372   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -0.596  -0.791   0.000  1.00  0.00           F  
CONECT    1    2   22   25                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7    9                                            
CONECT    7    6    8   12                                            
CONECT    8    7    3                                                 
CONECT    9    6   10   16                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11    7                                                 
CONECT   13   11   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16    9   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   31                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22    1   23   26                                            
CONECT   23   22   24   29                                            
CONECT   24   23   25                                                 
CONECT   25   24    1   30                                            
CONECT   26   22   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   23                                                 
CONECT   30   32   25                                                 
CONECT   31   19                                                      
CONECT   32   33   34   35   30                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D04LWZ
  -OEChem-09301911112D

 36 39  0     0  0  0  0  0  0999 V2000
    2.9180   -0.2154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501   -0.2154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841   -1.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180   -1.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501   -1.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7680   -2.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0080   -1.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5601   -1.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9021   -3.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180    1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5681   -2.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    2.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180    2.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    3.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161    3.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2471    0.5946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3811    0.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1870    0.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4747   -1.4060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0934   -1.4060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1870    1.4746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9094   -3.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6636   -3.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3811    1.4746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -3.0717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1062   -3.0717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3811    3.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    3.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8261    2.7477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0530    3.5946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2061    3.8216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 23  1  0  0  0  0
  3  7  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 14  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 15  1  0  0  0  0
  9 24  1  0  0  0  0
 10 16  1  0  0  0  0
 10 25  1  0  0  0  0
 11 17  2  0  0  0  0
 11 26  1  0  0  0  0
 12 15  2  0  0  0  0
 12 27  1  0  0  0  0
 13 16  2  0  0  0  0
 13 28  1  0  0  0  0
 14 18  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
M  END

$$$$
D04MAZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.858  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.858   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429  -1.031   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.715  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.715   0.206   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.429   0.619   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.000   0.619   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.715   0.206   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.715  -0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.429  -1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.143  -0.619   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.143   0.206   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.429   0.619   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.429   1.444   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       0.000  -1.031   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       2.858  -1.031   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.858  -1.856   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.572  -2.269   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.287  -1.856   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.287  -1.031   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.572  -0.619   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.858   0.619   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.858   1.444   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.858   2.269   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.858   3.094   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       3.572  -3.094   0.000  1.00  0.00           N  
HETATM   31 CL   UNL     1      -4.287   0.619   0.000  1.00  0.00          Cl  
CONECT    1    2    6   31                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   19                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17   26                                            
CONECT   17   16   12   18                                            
CONECT   18   17                                                      
CONECT   19   13                                                      
CONECT   20   15   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   30                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   16   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28                                                      
CONECT   30   22                                                      
CONECT   31    1                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D04MCF
  -OEChem-09301911252D

 48 51  0     1  0  0  0  0  0999 V2000
    5.4836    0.2024    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.0303    3.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8080    0.9544    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701   -2.4907    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4323   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0303   -0.0000    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   11.7624    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2983   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0303   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6527   -1.4067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8964    1.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0303    2.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8964    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0303   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8964   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8964   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4323   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5662   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836   -0.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4617   -0.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890   -0.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    0.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -1.6817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067   -0.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4333    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4934    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1084   -0.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5069    0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9523    2.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5537    1.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5537    0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9523   -0.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2993    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7624    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4333   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6274   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2983   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4333   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9225    0.4094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    0.4380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356   -2.3526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -1.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
 12  2  1  1  0  0  0
  3 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 21  2  0  0  0  0
  6 13  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
 11  7  1  6  0  0  0
  7 39  1  0  0  0  0
  7 40  1  0  0  0  0
  8 17  1  0  0  0  0
  8 21  1  0  0  0  0
  8 43  1  0  0  0  0
  9 19  2  0  0  0  0
  9 20  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 31  1  0  0  0  0
 12 14  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 45  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
 28 46  1  0  0  0  0
 29 30  1  0  0  0  0
 29 47  1  0  0  0  0
 30 48  1  0  0  0  0
M  END

$$$$
D04MHV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.870   1.835   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.870   1.010   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.156   0.598   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.441   1.010   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.441   1.835   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.156   2.248   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.585   0.598   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.299   1.010   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -5.013   0.598   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -5.013  -0.227   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.299  -0.640   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.585  -0.227   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -5.627  -0.779   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.291  -1.533   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -4.471  -1.447   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1      -5.704  -2.248   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.727   2.248   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.012   1.835   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.012   1.010   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.727   0.598   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.727  -0.227   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.012  -0.640   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       0.702  -0.227   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       0.702   0.598   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.417   1.010   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       2.131   0.598   0.000  1.00  0.00           N  
HETATM   27  O   UNL     1       1.417   1.835   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       2.846   1.010   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.560   0.598   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.560  -0.227   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.275  -0.640   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.989  -0.227   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.989   0.598   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.275   1.010   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1       5.704  -0.640   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   17                                            
CONECT    6    5    1                                                 
CONECT    7    2    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12   15                                            
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   11                                                 
CONECT   16   14                                                      
CONECT   17    5   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19   25                                            
CONECT   25   24   26   27                                            
CONECT   26   25   28                                                 
CONECT   27   25                                                      
CONECT   28   26   29                                                 
CONECT   29   28   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   35                                            
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END

$$$$

$$$$
D04MIQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.838   1.676   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.838   0.854   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.126   0.443   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.414   0.854   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.414   1.676   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.126   2.087   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.632   0.600   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.149   1.265   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.632   1.930   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1      -0.378  -0.182   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1       0.673   1.265   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.426  -0.353   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.680  -1.135   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.484  -1.306   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.034  -0.695   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.780   0.087   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.976   0.258   0.000  1.00  0.00           C  
HETATM   18  F   UNL     1       2.838  -0.866   0.000  1.00  0.00           F  
HETATM   19 CL   UNL     1       1.738  -2.087   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9   11                                            
CONECT    9    8    5                                                 
CONECT   10    7   12                                                 
CONECT   11    8                                                      
CONECT   12   10   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15                                                      
CONECT   19   14                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D04MPV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.101   0.772   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.101  -0.053   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.387  -0.466   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.672  -0.053   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.672   0.772   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.387   1.184   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.958  -0.466   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.872  -1.286   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.065  -1.458   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.348  -0.743   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.204  -0.130   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.485  -1.838   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.269  -1.583   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.882  -2.135   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.711  -2.942   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.926  -3.197   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.313  -2.645   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.168  -0.657   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.653  -1.325   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       1.504   0.097   0.000  1.00  0.00           N  
HETATM   21 CL   UNL     1      -3.816   1.184   0.000  1.00  0.00          Cl  
HETATM   22 CL   UNL     1      -0.529  -2.900   0.000  1.00  0.00          Cl  
HETATM   23  C   UNL     1       0.082   0.677   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.324   0.183   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.660   0.936   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.480   1.023   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.816   1.776   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.331   2.444   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.510   2.357   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.175   1.604   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       3.667   3.197   0.000  1.00  0.00           F  
HETATM   32  C   UNL     1       2.538  -0.614   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.121  -0.031   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.471   1.278   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1      -1.296   1.278   0.000  1.00  0.00           O  
HETATM   36  O   UNL     1      -0.057   1.995   0.000  1.00  0.00           O  
CONECT    1    2    6   21                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   18                                            
CONECT   11   10    7   23                                            
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   22                                            
CONECT   18   10   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   24                                                 
CONECT   21    1                                                      
CONECT   22   17                                                      
CONECT   23   11   34                                                 
CONECT   24   20   25   32   33                                       
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   28                                                      
CONECT   32   24                                                      
CONECT   33   24                                                      
CONECT   34   23   35   36                                            
CONECT   35   34                                                      
CONECT   36   34                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D04MQF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.927  -0.219   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.927  -1.044   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.213  -1.457   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.498  -1.044   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.498  -0.219   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.213   0.193   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.286  -1.299   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.771  -0.632   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.286   0.036   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.592  -0.545   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.927   0.208   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.442   0.876   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.622   0.789   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.137   1.457   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5   13                                            
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    9   14                                            
CONECT   14   13                                                      
MASTER        0    0    0    0    0    0    0    0   14    0   14    0
END
M  END

$$$$
D04MQZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.587   0.111   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.587  -0.715   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.872  -1.127   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.158  -0.715   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.158   0.111   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.872   0.523   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.373  -0.969   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.112  -0.302   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.373   0.365   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.937  -0.302   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.349   0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.174   0.412   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       2.587   1.127   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1       2.587  -0.302   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12                                                      
CONECT   14   12                                                      
MASTER        0    0    0    0    0    0    0    0   14    0   14    0
END
M  END

$$$$
D04MTT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
ATOM      1  N   LYS A   1     -12.861  -1.031   0.000  1.00  0.00           N  
ATOM      2  CA  LYS A   1     -12.146  -1.444   0.000  1.00  0.00           C  
ATOM      3  C   LYS A   1     -11.431  -1.031   0.000  1.00  0.00           C  
ATOM      4  N   GLN A   2     -10.717  -1.444   0.000  1.00  0.00           N  
ATOM      5  CA  GLN A   2     -10.003  -1.031   0.000  1.00  0.00           C  
ATOM      6  C   GLN A   2      -9.288  -1.444   0.000  1.00  0.00           C  
ATOM      7  N   THR A   3      -8.574  -1.031   0.000  1.00  0.00           N  
ATOM      8  CA  THR A   3      -7.859  -1.444   0.000  1.00  0.00           C  
ATOM      9  C   THR A   3      -7.145  -1.031   0.000  1.00  0.00           C  
ATOM     10  N   ALA A   4      -6.430  -1.444   0.000  1.00  0.00           N  
ATOM     11  CA  ALA A   4      -5.716  -1.031   0.000  1.00  0.00           C  
ATOM     12  C   ALA A   4      -5.001  -1.444   0.000  1.00  0.00           C  
ATOM     13  N   ARG A   5      -4.287  -1.031   0.000  1.00  0.00           N  
ATOM     14  CA  ARG A   5      -3.572  -1.444   0.000  1.00  0.00           C  
ATOM     15  C   ARG A   5      -2.858  -1.031   0.000  1.00  0.00           C  
HETATM   16  N   UNK A   6      -2.143  -1.444   0.000  1.00  0.00           N  
HETATM   17  C   UNK A   6      -1.429  -1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNK A   6      -0.715  -1.444   0.000  1.00  0.00           C  
ATOM     19  N   SER A   7       0.000  -1.031   0.000  1.00  0.00           N  
ATOM     20  CA  SER A   7       0.715  -1.444   0.000  1.00  0.00           C  
ATOM     21  C   SER A   7       1.429  -1.031   0.000  1.00  0.00           C  
ATOM     22  N   THR A   8       2.143  -1.444   0.000  1.00  0.00           N  
ATOM     23  CA  THR A   8       2.858  -1.031   0.000  1.00  0.00           C  
ATOM     24  C   THR A   8       3.572  -1.444   0.000  1.00  0.00           C  
ATOM     25  N   GLY A   9       4.287  -1.031   0.000  1.00  0.00           N  
ATOM     26  CA  GLY A   9       5.001  -1.444   0.000  1.00  0.00           C  
ATOM     27  C   GLY A   9       5.716  -1.031   0.000  1.00  0.00           C  
ATOM     28  N   GLY A  10       6.430  -1.444   0.000  1.00  0.00           N  
ATOM     29  CA  GLY A  10       7.145  -1.031   0.000  1.00  0.00           C  
ATOM     30  C   GLY A  10       7.859  -1.444   0.000  1.00  0.00           C  
ATOM     31  N   LYS A  11       8.574  -1.031   0.000  1.00  0.00           N  
ATOM     32  CA  LYS A  11       9.288  -1.444   0.000  1.00  0.00           C  
ATOM     33  C   LYS A  11      10.003  -1.031   0.000  1.00  0.00           C  
ATOM     34  N   ALA A  12      10.717  -1.444   0.000  1.00  0.00           N  
ATOM     35  CA  ALA A  12      11.431  -1.031   0.000  1.00  0.00           C  
ATOM     36  C   ALA A  12      12.146  -1.444   0.000  1.00  0.00           C  
ATOM     37  O   THR A   8       3.572  -2.269   0.000  1.00  0.00           O  
ATOM     38  O   GLY A   9       5.716  -0.206   0.000  1.00  0.00           O  
ATOM     39  O   GLY A  10       7.859  -2.269   0.000  1.00  0.00           O  
ATOM     40  O   ALA A  12      12.861  -1.031   0.000  1.00  0.00           O  
ATOM     41  OXT ALA A  12      12.146  -2.269   0.000  1.00  0.00           O  
ATOM     42  CB  ALA A  12      11.431  -0.206   0.000  1.00  0.00           C  
ATOM     43  O   LYS A   1     -11.431  -0.206   0.000  1.00  0.00           O  
ATOM     44  CB  GLN A   2     -10.003  -0.206   0.000  1.00  0.00           C  
ATOM     45  CG  GLN A   2     -10.717   0.206   0.000  1.00  0.00           C  
ATOM     46  CD  GLN A   2     -10.717   1.031   0.000  1.00  0.00           C  
ATOM     47  NE2 GLN A   2     -11.431   1.444   0.000  1.00  0.00           N  
ATOM     48  OE1 GLN A   2     -10.003   1.444   0.000  1.00  0.00           O  
ATOM     49  O   GLN A   2      -9.288  -2.269   0.000  1.00  0.00           O  
ATOM     50  CB  LYS A   1     -12.146  -2.269   0.000  1.00  0.00           C  
ATOM     51  CG  LYS A   1     -11.431  -2.681   0.000  1.00  0.00           C  
ATOM     52  CD  LYS A   1     -11.431  -3.506   0.000  1.00  0.00           C  
ATOM     53  CE  LYS A   1     -10.717  -3.919   0.000  1.00  0.00           C  
ATOM     54  NZ  LYS A   1     -10.717  -4.744   0.000  1.00  0.00           N  
ATOM     55  CB  THR A   3      -7.859  -2.269   0.000  1.00  0.00           C  
ATOM     56  OG1 THR A   3      -7.145  -2.681   0.000  1.00  0.00           O  
ATOM     57  CG2 THR A   3      -8.574  -2.681   0.000  1.00  0.00           C  
ATOM     58  O   THR A   3      -7.145  -0.206   0.000  1.00  0.00           O  
ATOM     59  CB  ALA A   4      -5.716  -0.206   0.000  1.00  0.00           C  
ATOM     60  O   ALA A   4      -5.001  -2.269   0.000  1.00  0.00           O  
ATOM     61  CB  ARG A   5      -3.572  -2.269   0.000  1.00  0.00           C  
ATOM     62  CG  ARG A   5      -2.858  -2.681   0.000  1.00  0.00           C  
ATOM     63  CD  ARG A   5      -2.858  -3.506   0.000  1.00  0.00           C  
ATOM     64  NE  ARG A   5      -2.143  -3.919   0.000  1.00  0.00           N  
ATOM     65  CZ  ARG A   5      -2.143  -4.744   0.000  1.00  0.00           C  
ATOM     66  NH1 ARG A   5      -2.858  -5.156   0.000  1.00  0.00           N  
ATOM     67  NH2 ARG A   5      -1.429  -5.156   0.000  1.00  0.00           N  
ATOM     68  O   ARG A   5      -2.858  -0.206   0.000  1.00  0.00           O  
HETATM   69  C   UNK A   6      -1.429  -0.206   0.000  1.00  0.00           C  
HETATM   70  C   UNK A   6      -2.143   0.206   0.000  1.00  0.00           C  
HETATM   71  C   UNK A   6      -2.143   1.031   0.000  1.00  0.00           C  
HETATM   72  C   UNK A   6      -2.858   1.444   0.000  1.00  0.00           C  
HETATM   73  N   UNK A   6      -2.858   2.269   0.000  1.00  0.00           N  
HETATM   74  C   UNK A   6      -3.572   2.681   0.000  1.00  0.00           C  
HETATM   75  C   UNK A   6      -3.572   3.506   0.000  1.00  0.00           C  
HETATM   76  C   UNK A   6      -4.287   3.919   0.000  1.00  0.00           C  
HETATM   77  C   UNK A   6      -4.287   4.744   0.000  1.00  0.00           C  
HETATM   78  O   UNK A   6      -5.001   5.156   0.000  1.00  0.00           O  
HETATM   79  S   UNK A   6      -4.287   2.269   0.000  1.00  0.00           S  
HETATM   80  O   UNK A   6      -3.572   5.156   0.000  1.00  0.00           O  
HETATM   81  O   UNK A   6      -0.715  -2.269   0.000  1.00  0.00           O  
ATOM     82  CB  SER A   7       0.715  -2.269   0.000  1.00  0.00           C  
ATOM     83  OG  SER A   7       1.429  -2.681   0.000  1.00  0.00           O  
ATOM     84  O   SER A   7       1.429  -0.206   0.000  1.00  0.00           O  
ATOM     85  CB  THR A   8       2.858  -0.206   0.000  1.00  0.00           C  
ATOM     86  OG1 THR A   8       3.572   0.206   0.000  1.00  0.00           O  
ATOM     87  CG2 THR A   8       2.143   0.206   0.000  1.00  0.00           C  
ATOM     88  CB  LYS A  11       9.288  -2.269   0.000  1.00  0.00           C  
ATOM     89  CG  LYS A  11      10.003  -2.681   0.000  1.00  0.00           C  
ATOM     90  CD  LYS A  11      10.003  -3.506   0.000  1.00  0.00           C  
ATOM     91  CE  LYS A  11      10.717  -3.919   0.000  1.00  0.00           C  
ATOM     92  NZ  LYS A  11      10.717  -4.744   0.000  1.00  0.00           N  
ATOM     93  O   LYS A  11      10.003  -0.206   0.000  1.00  0.00           O  
CONECT    1    2                                                      
CONECT    2    1    3   50                                            
CONECT    3    2    4   43                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   44                                            
CONECT    6    5    7   49                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   55                                            
CONECT    9    8   10   58                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   59                                            
CONECT   12   11   13   60                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   61                                            
CONECT   15   14   16   68                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   69                                            
CONECT   18   17   19   81                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   82                                            
CONECT   21   20   22   84                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   85                                            
CONECT   24   23   25   37                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   38                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   39                                            
CONECT   31   30   32                                                 
CONECT   32   31   33   88                                            
CONECT   33   32   34   93                                            
CONECT   34   33   35                                                 
CONECT   35   34   36   42                                            
CONECT   36   35   40   41                                            
CONECT   37   24                                                      
CONECT   38   27                                                      
CONECT   39   30                                                      
CONECT   40   36                                                      
CONECT   41   36                                                      
CONECT   42   35                                                      
CONECT   43    3                                                      
CONECT   44    5   45                                                 
CONECT   45   44   46                                                 
CONECT   46   45   47   48                                            
CONECT   47   46                                                      
CONECT   48   46                                                      
CONECT   49    6                                                      
CONECT   50    2   51                                                 
CONECT   51   50   52                                                 
CONECT   52   51   53                                                 
CONECT   53   52   54                                                 
CONECT   54   53                                                      
CONECT   55    8   56   57                                            
CONECT   56   55                                                      
CONECT   57   55                                                      
CONECT   58    9                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   14   62                                                 
CONECT   62   61   63                                                 
CONECT   63   62   64                                                 
CONECT   64   63   65                                                 
CONECT   65   64   66   67                                            
CONECT   66   65                                                      
CONECT   67   65                                                      
CONECT   68   15                                                      
CONECT   69   17   70                                                 
CONECT   70   69   71                                                 
CONECT   71   70   72                                                 
CONECT   72   71   73                                                 
CONECT   73   72   74                                                 
CONECT   74   73   75   79                                            
CONECT   75   74   76                                                 
CONECT   76   75   77                                                 
CONECT   77   76   78   80                                            
CONECT   78   77                                                      
CONECT   79   74                                                      
CONECT   80   77                                                      
CONECT   81   18                                                      
CONECT   82   20   83                                                 
CONECT   83   82                                                      
CONECT   84   21                                                      
CONECT   85   23   86   87                                            
CONECT   86   85                                                      
CONECT   87   85                                                      
CONECT   88   32   89                                                 
CONECT   89   88   90                                                 
CONECT   90   89   91                                                 
CONECT   91   90   92                                                 
CONECT   92   91                                                      
CONECT   93   33                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END

$$$$

$$$$

$$$$
D04MVN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.300   0.000   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.888  -0.714   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.062  -0.714   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.650   0.000   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.062   0.714   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.888   0.714   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.825   0.000   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.412  -0.714   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.412  -0.714   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.825  -1.429   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.650  -1.429   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.062  -0.714   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.650   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.825   0.000   0.000  1.00  0.00           C  
HETATM   15  F   UNL     1       0.412  -2.143   0.000  1.00  0.00           F  
HETATM   16  C   UNL     1       2.888  -0.714   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       3.300   0.000   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       3.300  -1.429   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       2.888   0.714   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.412   0.714   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.412   0.714   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       0.825   1.429   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       0.412   2.143   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.412   2.143   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.825   1.429   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   20                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   10                                                      
CONECT   16   12   17   18                                            
CONECT   17   16   19                                                 
CONECT   18   16                                                      
CONECT   19   17                                                      
CONECT   20    7   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D04NCC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.531   1.079   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.531   0.254   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.817  -0.158   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.102   0.254   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.102   1.079   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.817   1.492   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.457  -0.260   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.653  -0.077   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.295   0.667   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.653   1.410   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.457   1.593   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.671  -1.057   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.468  -1.271   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.681  -2.068   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.098  -2.651   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.301  -2.437   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.087  -1.641   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.070   1.993   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.671   2.390   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.141  -3.475   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.371  -3.771   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.852  -3.129   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.087   2.974   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.291   2.760   0.000  1.00  0.00           N  
HETATM   25  O   UNL     1      -2.301   3.771   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1      -0.470   0.667   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       0.244   1.079   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.959   0.667   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.673   1.079   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.388   0.667   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.388  -0.158   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.102  -0.571   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.817  -0.158   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.817   0.667   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.102   1.079   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1       4.531   1.079   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1       4.531  -0.571   0.000  1.00  0.00           F  
HETATM   38  O   UNL     1       0.244   1.904   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1       0.959  -0.158   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   26                                            
CONECT   10    9   11   18                                            
CONECT   11   10    5   19                                            
CONECT   12    7   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17   22                                            
CONECT   17   16   12                                                 
CONECT   18   10                                                      
CONECT   19   11   23                                                 
CONECT   20   15   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   16                                                 
CONECT   23   19   24   25                                            
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26    9   27                                                 
CONECT   27   26   28   38                                            
CONECT   28   27   29   39                                            
CONECT   29   28   30                                                 
CONECT   30   29   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   37                                            
CONECT   34   33   35   36                                            
CONECT   35   34   30                                                 
CONECT   36   34                                                      
CONECT   37   33                                                      
CONECT   38   27                                                      
CONECT   39   28                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D04NEO
  -OEChem-11082101462D

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   10.7110   -6.6820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7110   -7.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
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  2  8  1  0  0  0  0
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 27  3  1  6  0  0  0
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 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 21  1  0  0  0  0
 17 24  1  0  0  0  0
 18 20  2  0  0  0  0
 18 25  1  0  0  0  0
 18 26  1  0  0  0  0
 19 21  2  0  0  0  0
 19 32  1  0  0  0  0
 20 23  1  0  0  0  0
 21 49  1  0  0  0  0
 22 25  2  0  0  0  0
 22 28  1  0  0  0  0
 22 30  1  0  0  0  0
 23 28  2  0  0  0  0
 23 33  1  0  0  0  0
 25 50  1  0  0  0  0
 26 34  1  0  0  0  0
 26 51  1  0  0  0  0
 26 52  1  0  0  0  0
 27 29  1  0  0  0  0
 27 31  1  0  0  0  0
 27 53  1  0  0  0  0
 28 54  1  0  0  0  0
 29 55  1  0  0  0  0
 29 56  1  0  0  0  0
 31 57  1  0  0  0  0
 31 58  1  0  0  0  0
 32 59  1  0  0  0  0
 32 60  1  0  0  0  0
 32 61  1  0  0  0  0
 33 62  1  0  0  0  0
 33 63  1  0  0  0  0
 33 64  1  0  0  0  0
 34 65  1  0  0  0  0
 34 66  1  0  0  0  0
 34 67  1  0  0  0  0
 35 36  1  0  0  0  0
 36 70  1  0  0  0  0
 36 71  1  0  0  0  0
M  END

$$$$
D04NIU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.891  -2.149   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.176  -2.562   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.462  -2.149   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.462  -1.324   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.176  -0.912   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.891  -1.324   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.747  -0.912   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.033  -1.324   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.318  -0.912   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.604  -1.324   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.111  -0.912   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.111  -0.087   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.604   0.326   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.318  -0.087   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.825   0.326   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.540  -0.087   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.254   0.326   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.254   1.151   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.540   1.563   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.825   1.151   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.039   0.071   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       3.524   0.738   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.039   1.405   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.348   0.738   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       4.891   1.359   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       4.743   2.171   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.017   2.562   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.258   2.238   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.604   1.151   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       3.451  -0.644   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14   29                                            
CONECT   14   13    9                                                 
CONECT   15   12   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   17   22   30                                            
CONECT   22   21   23   24                                            
CONECT   23   22   18   28                                            
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   13                                                      
CONECT   30   21                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D04NKE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.572   2.062   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.143   0.412   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.429   1.650   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.143   2.062   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.714   0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.000   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.000   1.650   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.714   2.062   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.143  -0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.429  -0.825   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.714  -0.412   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       0.000  -0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.000  -1.650   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.714  -2.062   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.429  -1.650   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.429  -0.825   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.714  -0.412   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.143  -2.062   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       2.858  -1.650   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       3.572  -2.062   0.000  1.00  0.00           N  
HETATM   27  S   UNL     1       2.858  -0.825   0.000  1.00  0.00           S  
HETATM   28  C   UNL     1       4.287  -1.650   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   15                                            
CONECT    8    7    9   11                                            
CONECT    9    8   10   14                                            
CONECT   10    9    5                                                 
CONECT   11    8   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    7   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   28                                                 
CONECT   27   25                                                      
CONECT   28   26                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END

$$$$

$$$$

$$$$
D04NMJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.868  -1.321   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.868  -2.146   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.154  -2.559   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.439  -2.146   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.439  -1.321   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.154  -0.909   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.725  -0.909   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.010  -1.321   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.296  -0.909   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.296  -0.084   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.010   0.329   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.725  -0.084   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.419   0.329   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.133  -0.084   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.419   1.154   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.296   1.566   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.133   1.566   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.419   1.979   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.848   1.154   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       1.133   2.391   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.562   1.566   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.316   1.231   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.868   1.844   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.455   2.559   0.000  1.00  0.00           C  
HETATM   25  S   UNL     1       2.649   2.387   0.000  1.00  0.00           S  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   16   17   18                                       
CONECT   16   15                                                      
CONECT   17   15   19   20                                            
CONECT   18   15                                                      
CONECT   19   17   21                                                 
CONECT   20   17                                                      
CONECT   21   19   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D04NQY
  -OEChem-09301911272D

 77 81  0     1  0  0  0  0  0999 V2000
    7.3301   -4.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    5.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    4.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -2.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.4580   -2.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3301   -4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1962   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4580   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1851   -0.4947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9580   -1.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9580   -3.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9580   -1.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9580   -3.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4580   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8279    1.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3335    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1306    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2087    2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8101    3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2554    1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6540    1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1306    3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3335    3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8626   -2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0656   -2.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7101   -5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -5.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9501   -5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1996   -3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6480   -0.8470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6480   -3.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9106    0.1217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2680   -0.8470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2680   -3.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4172    1.0075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0205    1.7894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2386    1.3927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  1 11  2  0  0  0  0
  1 15  1  0  0  0  0
  1 40  1  0  0  0  0
  2 37  1  0  0  0  0
  3 37  1  0  0  0  0
  4 37  1  0  0  0  0
  5 41  1  0  0  0  0
  6 47  1  0  0  0  0
  7 28  1  0  0  0  0
  7 34  1  0  0  0  0
  8 21  2  0  0  0  0
  9 27  2  0  0  0  0
 12 42  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 21  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 27  1  0  0  0  0
 15 23  1  0  0  0  0
 15 33  1  0  0  0  0
 16 42  1  0  0  0  0
 16 48  1  0  0  0  0
 16 72  1  0  0  0  0
 17 19  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 20  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 19 53  1  0  0  0  0
 19 54  1  0  0  0  0
 20 55  1  0  0  0  0
 20 56  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 22 25  1  0  0  0  0
 22 29  1  0  0  0  0
 23 30  1  0  0  0  0
 24 31  1  0  0  0  0
 24 35  2  0  0  0  0
 25 31  2  0  0  0  0
 25 36  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  2  0  0  0  0
 26 32  1  0  0  0  0
 27 37  1  0  0  0  0
 28 30  2  0  0  0  0
 29 57  1  0  0  0  0
 30 58  1  0  0  0  0
 31 59  1  0  0  0  0
 32 34  2  0  0  0  0
 32 42  1  0  0  0  0
 33 41  1  0  0  0  0
 33 60  1  0  0  0  0
 33 61  1  0  0  0  0
 34 39  1  0  0  0  0
 35 38  1  0  0  0  0
 35 62  1  0  0  0  0
 36 38  2  0  0  0  0
 36 63  1  0  0  0  0
 38 64  1  0  0  0  0
 39 43  2  0  0  0  0
 39 44  1  0  0  0  0
 40 65  1  0  0  0  0
 40 66  1  0  0  0  0
 40 67  1  0  0  0  0
 41 68  1  0  0  0  0
 41 69  1  0  0  0  0
 43 45  1  0  0  0  0
 43 70  1  0  0  0  0
 44 46  2  0  0  0  0
 44 71  1  0  0  0  0
 45 47  2  0  0  0  0
 45 73  1  0  0  0  0
 46 47  1  0  0  0  0
 46 74  1  0  0  0  0
 48 75  1  0  0  0  0
 48 76  1  0  0  0  0
 48 77  1  0  0  0  0
M  END

$$$$
D04NUS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.441  -0.093   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.441  -0.918   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.656  -1.173   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.171  -0.506   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.656   0.162   0.000  1.00  0.00           N  
HETATM    6  O   UNL     1      -3.108   0.392   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.443   0.959   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.646   1.172   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.026   1.542   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.823   1.328   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.406   1.912   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.193   2.709   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.203   1.698   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.990   2.495   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.108  -1.403   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.862  -1.068   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.529  -1.553   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.443  -2.373   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.690  -2.709   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.022  -2.224   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.759  -1.220   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.066  -1.220   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.479  -0.506   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.066   0.209   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.759   0.209   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.304  -0.506   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.716  -1.220   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.716   0.209   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.129  -0.506   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.063   0.589   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.734   0.802   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.948   1.599   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       0.364   2.183   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.432   1.969   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.745   1.813   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1       1.958   2.610   0.000  1.00  0.00           O  
HETATM   37  N   UNL     1       2.328   1.229   0.000  1.00  0.00           N  
HETATM   38  C   UNL     1       3.125   1.443   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       3.538   0.728   0.000  1.00  0.00           C  
HETATM   40  N   UNL     1       3.202  -0.025   0.000  1.00  0.00           N  
HETATM   41  N   UNL     1       3.815  -0.577   0.000  1.00  0.00           N  
HETATM   42  N   UNL     1       4.529  -0.165   0.000  1.00  0.00           N  
HETATM   43  N   UNL     1       4.358   0.642   0.000  1.00  0.00           N  
CONECT    1    2    5    6                                            
CONECT    2    1    3   15                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   21   25                                       
CONECT    5    4    1    7                                            
CONECT    6    1                                                      
CONECT    7    5    8    9                                            
CONECT    8    7   30   34                                            
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   13   14                                       
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14   11                                                      
CONECT   15    2   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21    4   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24    4                                                 
CONECT   26   23   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30    8   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   35                                            
CONECT   33   32   34                                                 
CONECT   34   33    8                                                 
CONECT   35   32   36   37                                            
CONECT   36   35                                                      
CONECT   37   35   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40   43                                            
CONECT   40   39   41                                                 
CONECT   41   40   42                                                 
CONECT   42   41   43                                                 
CONECT   43   42   39                                                 
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
M  END

$$$$
D04OCD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       3.732  -0.510   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       4.144  -1.225   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       4.969  -1.225   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       5.382  -0.510   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       4.969   0.204   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       4.144   0.204   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.907  -0.510   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.422   0.157   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.637  -0.098   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       1.637  -0.923   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1       2.422  -1.178   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.970  -1.408   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.216  -1.072   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       2.677   0.942   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       2.125   1.555   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.380   2.340   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.318   1.384   0.000  1.00  0.00           O  
HETATM   18 CL   UNL     1       5.382   0.919   0.000  1.00  0.00          Cl  
HETATM   19  O   UNL     1       3.732  -1.939   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       4.144  -2.654   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1       3.732  -3.368   0.000  1.00  0.00           F  
HETATM   22  F   UNL     1       4.969  -2.654   0.000  1.00  0.00           F  
HETATM   23  C   UNL     1       3.164   2.595   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       3.164   3.420   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1       2.380   3.675   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       1.895   3.007   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       3.879   2.182   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       4.593   2.595   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.593   3.420   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.879   3.832   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -0.451  -1.557   0.000  1.00  0.00           N  
HETATM   32  O   UNL     1       0.130  -0.251   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -1.205  -1.221   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.872  -1.706   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.786  -2.527   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.032  -2.862   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.365  -2.377   0.000  1.00  0.00           C  
HETATM   38  N   UNL     1      -2.453  -3.012   0.000  1.00  0.00           N  
HETATM   39  C   UNL     1      -3.207  -2.676   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.367  -3.832   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.875  -3.161   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.628  -2.825   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.382  -2.490   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   19                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   18                                            
CONECT    6    5    1                                                 
CONECT    7    1    8   11                                            
CONECT    8    7    9   14                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10    7                                                 
CONECT   12   10   13                                                 
CONECT   13   12   31   32                                            
CONECT   14    8   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   23   26                                            
CONECT   17   15                                                      
CONECT   18    5                                                      
CONECT   19    2   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20                                                      
CONECT   22   20                                                      
CONECT   23   16   24   27                                            
CONECT   24   23   25   30                                            
CONECT   25   24   26                                                 
CONECT   26   25   16                                                 
CONECT   27   23   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   24                                                 
CONECT   31   13   33   37                                            
CONECT   32   13                                                      
CONECT   33   31   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36   38                                            
CONECT   36   35   37                                                 
CONECT   37   36   31                                                 
CONECT   38   35   39   40                                            
CONECT   39   38   41                                                 
CONECT   40   38                                                      
CONECT   41   39   42                                                 
CONECT   42   41   43                                                 
CONECT   43   42                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
M  END

$$$$
D04OHC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.770   0.055   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.770  -0.770   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.055  -1.182   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.659  -0.770   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.659   0.055   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.055   0.468   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.484  -1.182   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.374   0.468   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.199  -0.770   0.000  1.00  0.00           C  
HETATM   10 XX   UNL     1      -2.913  -1.182   0.000  1.00  0.00          Xx  
HETATM   11  O   UNL     1      -2.199   0.055   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       2.199   0.468   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.786   1.182   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       2.913   0.055   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2    9                                                 
CONECT    8    5   12   13                                            
CONECT    9    7   10   11                                            
CONECT   10    9                                                      
CONECT   11    9                                                      
CONECT   12    8   13   14                                            
CONECT   13   12    8                                                 
CONECT   14   12                                                      
MASTER        0    0    0    0    0    0    0    0   14    0   14    0
END
M  END

$$$$
D04OPJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.960   1.131   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.163   1.344   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.366   1.131   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.373   0.416   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.576   0.630   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.779   0.416   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.576   2.059   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.982   0.630   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.779  -0.409   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.493  -0.821   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.493  -1.646   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.779  -2.059   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.064  -1.646   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.064  -0.821   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.398   0.046   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.398   0.260   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.982  -0.323   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.779  -0.110   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.362  -0.693   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.159  -0.480   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.373   0.317   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.789   0.900   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.992   0.687   0.000  1.00  0.00           C  
CONECT    1    2    4                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    6                                                 
CONECT    4    1    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    3    8    9                                       
CONECT    7    2    5                                                 
CONECT    8    6   15                                                 
CONECT    9    6   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    8   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D04OXC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.244  -1.489   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.244  -2.314   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.959  -2.726   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.673  -2.314   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.673  -1.489   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.959  -1.076   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.401  -0.974   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.205  -1.158   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.563  -1.901   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.205  -2.645   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.401  -2.828   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.617  -3.359   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.388  -1.901   0.000  1.00  0.00           O  
HETATM   14  H   UNL     1       0.959  -0.251   0.000  1.00  0.00           H  
HETATM   15  H   UNL     1       2.388  -2.726   0.000  1.00  0.00           H  
HETATM   16  C   UNL     1      -0.327  -0.153   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.085   0.172   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.628  -0.450   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.299   0.968   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.715   1.552   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.929   2.349   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.726   2.562   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.309   1.979   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.096   1.182   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1      -1.939   3.359   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   15                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   14                                            
CONECT    7    1    8   16                                            
CONECT    8    7    9   18                                            
CONECT    9    8   10   13                                            
CONECT   10    9   11   12                                            
CONECT   11   10    2                                                 
CONECT   12   10                                                      
CONECT   13    9                                                      
CONECT   14    6                                                      
CONECT   15    4                                                      
CONECT   16    7   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17    8                                                 
CONECT   19   17   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D04OXI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.085   0.544   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.085  -0.281   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.740  -0.281   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.740   0.544   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.669   1.127   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.323   1.127   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.323  -0.865   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.669  -0.865   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.455   1.924   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.039   2.507   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.835   2.294   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.049   1.497   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.466   0.913   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       2.117   0.914   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1       1.110   1.921   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1      -1.466  -1.078   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.878  -1.793   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.109  -1.662   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.693  -2.245   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.490  -2.031   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.703  -1.235   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.120  -0.651   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.256  -1.579   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.466  -2.507   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.703  -1.793   0.000  1.00  0.00           C  
CONECT    1    2    4    5                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4    7                                            
CONECT    4    3    1    6                                            
CONECT    5    1    9   13                                            
CONECT    6    4   14   15                                            
CONECT    7    3   18   22                                            
CONECT    8    2   16   23                                            
CONECT    9    5   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    5                                                 
CONECT   14    6                                                      
CONECT   15    6                                                      
CONECT   16    8   17                                                 
CONECT   17   16   24   25                                            
CONECT   18    7   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21    7                                                 
CONECT   23    8                                                      
CONECT   24   17                                                      
CONECT   25   17                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D04PCT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.148  -1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.148  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.567   0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.281  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.281  -1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.567  -1.444   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.995   0.206   0.000  1.00  0.00           C  
HETATM    8 CL   UNL     1       0.567   1.031   0.000  1.00  0.00          Cl  
HETATM    9  C   UNL     1      -0.862   0.206   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.577  -0.206   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.291   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.006  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.720   0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.720   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.006   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.291   1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.435   1.444   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -5.149   1.031   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -5.864   1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.578   1.031   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -7.293   1.444   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.006  -1.031   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.710  -0.206   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.424   0.206   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.139  -0.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.853   0.206   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.853   1.031   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.139   1.444   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.424   1.031   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.710   1.444   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.568   1.444   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       6.282   1.031   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       6.496   0.234   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       7.293   0.448   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       7.079   1.245   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    9                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4   23                                                 
CONECT    8    3                                                      
CONECT    9    2   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13   22                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20                                                      
CONECT   22   12                                                      
CONECT   23    7   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   24   30                                            
CONECT   30   29                                                      
CONECT   31   27   32                                                 
CONECT   32   31   33   35                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   32                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D04PKQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.381   1.334   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.381   0.509   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.667   0.097   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.952   0.509   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.952   1.334   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.667   1.747   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.168   0.254   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.683   0.922   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.168   1.589   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.913   2.374   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.128   2.629   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.128   3.454   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.913   3.709   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.398   3.041   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.223   3.041   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       0.539   3.939   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       0.539   2.144   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.453   1.323   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.120   0.839   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.874   1.174   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.960   1.995   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.293   2.479   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       2.714   2.330   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       3.381   1.845   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       2.541   0.689   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       3.295   1.025   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       1.034   0.018   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       1.702  -0.467   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.913  -0.530   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.465  -1.143   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -1.210  -1.928   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.762  -2.541   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.507  -3.326   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1      -2.569  -2.370   0.000  1.00  0.00           O  
HETATM   35  N   UNL     1      -2.059  -3.939   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1      -0.700  -3.497   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.148  -2.884   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       0.659  -3.056   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.403  -2.099   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   29                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9   11   14                                            
CONECT   11   10   12   17                                            
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   10   15                                            
CONECT   15   14                                                      
CONECT   16   12                                                      
CONECT   17   11   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   27                                            
CONECT   20   19   21   25                                            
CONECT   21   20   22   23                                            
CONECT   22   21   17                                                 
CONECT   23   21   24                                                 
CONECT   24   23                                                      
CONECT   25   20   26                                                 
CONECT   26   25                                                      
CONECT   27   19   28                                                 
CONECT   28   27                                                      
CONECT   29    7   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   34                                            
CONECT   33   32   35   36                                            
CONECT   34   32                                                      
CONECT   35   33                                                      
CONECT   36   33   37                                                 
CONECT   37   36   38   39                                            
CONECT   38   37                                                      
CONECT   39   37                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D04QBY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.321   0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.321   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.607  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.892   0.000   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.892   0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.607   1.238   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.035  -0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.178   1.238   0.000  1.00  0.00           C  
HETATM    9  H   UNL     1      -0.178   2.062   0.000  1.00  0.00           H  
HETATM   10  N   UNL     1       0.537   0.825   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.537   0.000   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.178  -0.412   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       1.251  -0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.251   1.238   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.966   0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.680   1.238   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.680   2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.966   2.475   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.251   2.062   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.395   0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.109   1.238   0.000  1.00  0.00           C  
HETATM   22  F   UNL     1      -1.607   2.062   0.000  1.00  0.00           F  
HETATM   23  C   UNL     1      -3.750   0.000   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.464  -0.412   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.464  -1.238   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.750  -1.650   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.035  -1.238   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -5.179  -1.650   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.179  -2.475   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.893  -1.238   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.251  -1.238   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.966  -1.650   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.680  -1.238   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.680  -0.412   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.966   0.000   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.464   0.619   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1       3.750   0.206   0.000  1.00  0.00           O  
HETATM   38  O   UNL     1       5.179   0.206   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1       5.893   0.619   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1   22                                            
CONECT    7    2   23   27                                            
CONECT    8    5    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11   14                                            
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   31   35                                            
CONECT   14   10   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   16   21                                                 
CONECT   21   20   36                                                 
CONECT   22    6                                                      
CONECT   23    7   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26    7                                                 
CONECT   28   25   29   30                                            
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   13   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   13                                                 
CONECT   36   21   37   38                                            
CONECT   37   36                                                      
CONECT   38   36   39                                                 
CONECT   39   38                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D04QGW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.755   0.049   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.930   0.049   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.518  -0.665   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.930  -1.380   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.755  -1.380   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.168  -0.665   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.993  -0.665   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       4.405  -1.380   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       5.230  -1.380   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       5.643  -0.665   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       5.230   0.049   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       4.405   0.049   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       6.468  -0.665   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       6.880   0.049   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       7.705   0.049   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       6.468   0.764   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1       0.693  -0.665   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.335   0.078   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.469   0.262   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.115  -0.253   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.115  -1.078   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.469  -1.592   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.335  -1.408   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       0.849   0.723   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.593   1.078   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.360   1.379   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.006   0.865   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.883   0.049   0.000  1.00  0.00           N  
HETATM   29  O   UNL     1      -2.773   1.166   0.000  1.00  0.00           O  
HETATM   30  N   UNL     1       0.052   1.592   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -3.418   0.652   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.133   1.064   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.847   0.652   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.562   1.064   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.276   0.652   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.991   1.064   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.705   0.652   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   17                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17    3   18   23                                            
CONECT   18   17   19   24                                            
CONECT   19   18   20   25                                            
CONECT   20   19   21   28                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   17                                                 
CONECT   24   18                                                      
CONECT   25   19   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   20                                                 
CONECT   29   27   31                                                 
CONECT   30   25                                                      
CONECT   31   29   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D04QHI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.143   3.080   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.143   2.255   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.927   2.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.412   2.667   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.927   3.335   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.572   3.492   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.286   3.080   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.286   2.255   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.572   1.842   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -2.001   1.842   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.754   2.178   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.306   1.565   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.894   0.850   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.087   1.022   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.474   0.470   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.886  -0.245   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.474  -0.959   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.649  -0.959   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.236  -0.245   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.649   0.470   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1      -0.236   1.184   0.000  1.00  0.00           F  
HETATM   22  F   UNL     1      -1.886  -1.673   0.000  1.00  0.00           F  
HETATM   23  N   UNL     1       1.182   1.215   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.989   1.044   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       2.541   1.657   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       2.244   0.259   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.692  -0.354   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.947  -1.139   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.754  -1.310   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.306  -0.697   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.051   0.088   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       3.009  -2.095   0.000  1.00  0.00           N  
HETATM   33  S   UNL     1       2.457  -2.708   0.000  1.00  0.00           S  
HETATM   34  C   UNL     1       2.712  -3.492   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1       1.874  -2.124   0.000  1.00  0.00           O  
HETATM   36  O   UNL     1       1.874  -3.291   0.000  1.00  0.00           O  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   23                                            
CONECT    4    3    5                                                 
CONECT    5    4    1                                                 
CONECT    6    1    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10   15                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
CONECT   22   17                                                      
CONECT   23    3   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   29   33                                                 
CONECT   33   32   34   35   36                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D04QLC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287  -1.031   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.572  -1.444   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.858  -1.031   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.858  -0.206   0.000  1.00  0.00           N  
HETATM    6  N   UNL     1      -3.572   0.206   0.000  1.00  0.00           N  
HETATM    7  O   UNL     1      -5.001  -1.444   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1      -2.143  -1.444   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.429  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.715   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.715   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.429   1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.143   1.031   0.000  1.00  0.00           C  
HETATM   15 CL   UNL     1       0.000   1.444   0.000  1.00  0.00          Cl  
HETATM   16  C   UNL     1       0.000  -0.206   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       0.000  -1.031   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       0.715   0.206   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.429  -0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.143   0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.858  -0.206   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.858  -1.031   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.572  -1.444   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.287  -1.031   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.287  -0.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.572   0.206   0.000  1.00  0.00           C  
HETATM   27 CL   UNL     1       5.001   0.206   0.000  1.00  0.00          Cl  
HETATM   28 CL   UNL     1       5.001  -1.444   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    4                                                      
CONECT    9    5   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12                                                      
CONECT   16   11   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   28                                            
CONECT   25   24   26   27                                            
CONECT   26   25   21                                                 
CONECT   27   25                                                      
CONECT   28   24                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D04QRX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.704   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.704   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.418   0.412   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       2.133   0.825   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.133   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.418   2.062   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.418  -0.412   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.704  -0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.704  -1.650   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.418  -2.062   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.133  -1.650   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.133  -0.825   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.011   0.412   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.725   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.440   0.412   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.725   1.650   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.193   0.748   0.000  1.00  0.00           C  
HETATM   18  S   UNL     1      -2.745   0.135   0.000  1.00  0.00           S  
HETATM   19  C   UNL     1      -2.333  -0.580   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.526  -0.408   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.668  -1.333   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.418   2.888   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.475  -1.505   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.562  -2.325   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1      -2.808  -2.661   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.256  -2.048   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.133  -2.475   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.847  -2.888   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       3.562  -2.475   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       3.562  -1.650   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.847  -1.238   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   22                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   27   31                                       
CONECT   12   11    7                                                 
CONECT   13    2   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   17   20                                            
CONECT   16   14                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   15                                                 
CONECT   21   19   23   26                                            
CONECT   22    6                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   11   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   11                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END

$$$$

$$$$
D04QVK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.257   1.927   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.257   1.102   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.543   0.689   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.829   1.102   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.829   1.927   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.543   2.339   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.114   0.689   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.028  -0.131   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.221  -0.303   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.192   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.360   1.025   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.641  -0.683   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.426  -0.428   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.039  -0.980   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.867  -1.787   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.083  -2.042   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.469  -1.490   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -3.480  -2.339   0.000  1.00  0.00          Cl  
HETATM   19 CL   UNL     1      -0.685  -1.745   0.000  1.00  0.00          Cl  
HETATM   20 CL   UNL     1      -3.972   2.339   0.000  1.00  0.00          Cl  
HETATM   21  C   UNL     1       1.012   0.498   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       1.348   1.252   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1       1.497  -0.169   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       2.322  -0.169   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.735  -0.884   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.559  -0.884   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.972  -0.169   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.559   0.545   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.735   0.545   0.000  1.00  0.00           C  
CONECT    1    2    6   20                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    8   11    4                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   21                                            
CONECT   11   10    7                                                 
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   19                                            
CONECT   18   15                                                      
CONECT   19   17                                                      
CONECT   20    1                                                      
CONECT   21   10   22   23                                            
CONECT   22   21                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D04RXX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.710   2.005   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.004   2.417   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.719   2.005   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.433   2.417   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1       0.004   3.242   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1       2.147   2.005   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.862   2.417   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.862   3.242   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.147   3.655   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.433   3.242   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       3.576   3.655   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.719   1.180   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.425   2.417   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.139   2.005   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.139   1.180   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.425   0.767   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.710   1.180   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.854   0.767   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.854  -0.058   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.568  -0.470   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.568  -1.295   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.854  -1.708   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.139  -1.295   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.139  -0.470   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.283  -0.058   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.283   0.767   0.000  1.00  0.00           O  
HETATM   27  N   UNL     1      -4.997  -0.470   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -2.854  -2.533   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.521  -3.018   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -3.266  -3.803   0.000  1.00  0.00           N  
HETATM   31  N   UNL     1      -2.441  -3.803   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1      -2.186  -3.018   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.956  -4.470   0.000  1.00  0.00           C  
HETATM   34  H   UNL     1       0.932   2.801   0.000  1.00  0.00           H  
HETATM   35  C   UNL     1       4.288   3.242   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1       3.579   2.014   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1       3.060   3.951   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1       4.997   4.470   0.000  1.00  0.00           F  
CONECT    1    2   13   17                                            
CONECT    2    1    3    5                                            
CONECT    3    2    4   12   34                                       
CONECT    4    3    6   10                                            
CONECT    5    2                                                      
CONECT    6    4    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    8   35                                                 
CONECT   12    3                                                      
CONECT   13    1   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16    1                                                 
CONECT   18   15   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   28                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   20   26   27                                            
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   22   29   32                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   33                                            
CONECT   32   31   28                                                 
CONECT   33   31                                                      
CONECT   34    3                                                      
CONECT   35   36   37   38   11                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END

$$$$

$$$$

$$$$
D04SHK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  S   UNL     1      -3.061  -0.246   0.000  1.00  0.00           S  
HETATM    2  N   UNL     1      -2.543  -0.889   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.772  -0.596   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.813   0.228   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.610   0.444   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.759  -1.685   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.885  -0.287   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.903   1.215   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.171   0.746   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.401   0.448   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -1.298   1.561   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.313   0.860   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.028   0.448   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.028  -0.377   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.742  -0.790   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.457  -0.377   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.457   0.448   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.742   0.860   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1       1.742   1.685   0.000  1.00  0.00          Cl  
HETATM   20  O   UNL     1      -3.644   0.337   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       3.170   0.861   0.000  1.00  0.00           C  
HETATM   22  F   UNL     1       2.758   1.575   0.000  1.00  0.00           F  
HETATM   23  F   UNL     1       3.885   1.274   0.000  1.00  0.00           F  
HETATM   24  F   UNL     1       3.583   0.147   0.000  1.00  0.00           F  
CONECT    1    2    5    7   20                                       
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    1    8                                            
CONECT    6    2                                                      
CONECT    7    1                                                      
CONECT    8    5                                                      
CONECT    9    4   10   11                                            
CONECT   10    9   12                                                 
CONECT   11    9                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   13   19                                            
CONECT   19   18                                                      
CONECT   20    1                                                      
CONECT   21   17   22   23   24                                       
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24   21                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D04SWX
  -OEChem-09301911152D

 40 43  0     0  0  0  0  0  0999 V2000
    6.4021   -1.3874    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9380   -1.3874    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -4.3874    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.5212    4.3874    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -0.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8611    0.2003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.1087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    3.5784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1701    1.1514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4791    0.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    1.1514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7579    1.9604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -1.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    1.9604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3511    2.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7524    1.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -1.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -1.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    1.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    2.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9389    3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3402    2.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -2.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -2.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9334    3.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -3.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7345    2.9388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0046    1.2895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8909    0.3062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5591   -0.7151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    1.2895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6056    2.9388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6868    4.2494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9568    2.6001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -3.1974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2671   -3.1974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    2.6001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    4.2494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 26  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  0  0  0  0
  6 11  2  0  0  0  0
  7 10  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 27  2  0  0  0  0
  8 28  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 29  1  0  0  0  0
 16 22  2  0  0  0  0
 16 30  1  0  0  0  0
 17 23  1  0  0  0  0
 18 24  2  0  0  0  0
 19 27  1  0  0  0  0
 19 33  1  0  0  0  0
 20 28  2  0  0  0  0
 20 34  1  0  0  0  0
 21 25  2  0  0  0  0
 21 35  1  0  0  0  0
 22 25  1  0  0  0  0
 22 36  1  0  0  0  0
 23 26  2  0  0  0  0
 23 37  1  0  0  0  0
 24 26  1  0  0  0  0
 24 38  1  0  0  0  0
 27 39  1  0  0  0  0
 28 40  1  0  0  0  0
M  END

$$$$
D04SYJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.807  -1.413   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.395  -2.128   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.570  -2.128   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.157  -1.413   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.570  -0.699   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.395  -0.699   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.315   0.086   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.982   0.571   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.650   0.086   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.561   0.421   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.475   1.242   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.142   1.727   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.896   1.391   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.193   0.086   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.745   0.699   0.000  1.00  0.00           C  
HETATM   16  S   UNL     1       0.332   1.413   0.000  1.00  0.00           S  
HETATM   17  C   UNL     1       1.570   0.699   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.982   1.413   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.807   1.413   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       1.570   2.128   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       0.364  -0.721   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.189  -0.721   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1    9                                            
CONECT    7    5    8   10                                            
CONECT    8    7    9   13                                            
CONECT    9    8    6                                                 
CONECT   10    7   11   14                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15   21                                            
CONECT   15   14   16   17                                            
CONECT   16   15   11                                                 
CONECT   17   15   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   14   22                                                 
CONECT   22   21                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D04TIU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.032  -0.027   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.317   0.385   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.397  -0.027   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.112   0.385   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.826  -0.027   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.826  -0.852   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.541  -1.265   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.255  -0.852   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.255  -0.027   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.541   0.385   0.000  1.00  0.00           C  
HETATM   11  F   UNL     1       3.970   0.385   0.000  1.00  0.00           F  
HETATM   12  N   UNL     1       3.970  -1.265   0.000  1.00  0.00           N  
HETATM   13  F   UNL     1       2.541  -2.090   0.000  1.00  0.00           F  
HETATM   14  S   UNL     1       4.795  -1.265   0.000  1.00  0.00           S  
HETATM   15  C   UNL     1       5.620  -1.265   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       4.795  -0.440   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1       4.795  -2.090   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.112   1.210   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.317   1.210   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1      -1.786   0.308   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.337  -0.305   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.925  -1.019   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.118  -0.848   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.158  -0.218   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.494   0.535   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.314   0.622   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.799  -0.046   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.463  -0.800   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.643  -0.886   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.650   1.375   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -5.620   0.040   0.000  1.00  0.00           F  
HETATM   32  H   UNL     1      -4.948  -1.467   0.000  1.00  0.00           H  
HETATM   33  F   UNL     1      -5.062   2.090   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -3.935   1.788   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -5.364   0.963   0.000  1.00  0.00           F  
CONECT    1    2   20   23                                            
CONECT    2    1    3   19                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   18                                            
CONECT    5    4    6   10                                            
CONECT    6    5    7                                                 
CONECT    7    6    8   13                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9                                                      
CONECT   12    8   14                                                 
CONECT   13    7                                                      
CONECT   14   12   15   16   17                                       
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17   14                                                      
CONECT   18    4                                                      
CONECT   19    2                                                      
CONECT   20    1   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22    1                                                 
CONECT   24   21   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   28   31                                            
CONECT   28   27   29   32                                            
CONECT   29   28   24                                                 
CONECT   30   26   33   34   35                                       
CONECT   31   27                                                      
CONECT   32   28                                                      
CONECT   33   30                                                      
CONECT   34   30                                                      
CONECT   35   30                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D04TSP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.180  -1.342   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.180  -2.167   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.465  -2.580   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.751  -2.167   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.751  -1.342   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.465  -0.930   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.966  -2.422   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.481  -1.755   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.966  -1.087   0.000  1.00  0.00           N  
HETATM   10  S   UNL     1      -2.656  -1.755   0.000  1.00  0.00           S  
HETATM   11  C   UNL     1      -2.073  -1.171   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.276  -1.385   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.693  -0.801   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.022  -1.214   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.736  -0.801   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.736   0.024   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.022   0.436   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.693   0.024   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.451   0.436   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.165   0.024   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       2.165  -0.801   0.000  1.00  0.00           O  
HETATM   22  N   UNL     1       2.880   0.436   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.705   0.436   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.117  -0.278   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       4.942  -0.278   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       5.355   0.436   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.942   1.151   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.117   1.151   0.000  1.00  0.00           C  
HETATM   29  S   UNL     1       3.705   1.865   0.000  1.00  0.00           S  
HETATM   30  C   UNL     1       4.117   2.580   0.000  1.00  0.00           C  
HETATM   31  S   UNL     1       3.705  -0.993   0.000  1.00  0.00           S  
HETATM   32  C   UNL     1       4.117  -1.707   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       6.180   0.436   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25   31                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   33                                            
CONECT   27   26   28                                                 
CONECT   28   27   23   29                                            
CONECT   29   28   30                                                 
CONECT   30   29                                                      
CONECT   31   24   32                                                 
CONECT   32   31                                                      
CONECT   33   26                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D04TUG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.933  -0.562   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.933  -1.387   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.219  -1.799   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.505  -1.387   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.505  -0.562   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.219  -0.149   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.790  -0.149   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.076  -0.562   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.361  -0.149   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.353  -0.562   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -0.361   0.676   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.353  -1.387   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.068  -1.799   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.782  -1.387   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.782  -0.562   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.068  -0.149   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.219   0.676   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.933   1.088   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.497  -1.799   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.211  -1.387   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.965  -1.722   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       4.517  -1.109   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       4.104  -0.395   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       3.297  -0.566   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.020   1.909   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.827   2.080   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -5.239   1.366   0.000  1.00  0.00           N  
HETATM   28  N   UNL     1      -4.687   0.753   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.239   2.795   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.517  -1.970   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -5.100  -2.553   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -4.517  -2.795   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -5.342  -1.970   0.000  1.00  0.00           F  
HETATM   34  C   UNL     1       5.342  -1.109   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   30                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   17                                            
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   12   16                                            
CONECT   11    9                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   10                                                 
CONECT   17    6   18                                                 
CONECT   18   17   25   28                                            
CONECT   19   14   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   34                                            
CONECT   23   22   24                                                 
CONECT   24   23   20                                                 
CONECT   25   18   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   18                                                 
CONECT   29   26                                                      
CONECT   30    2   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
CONECT   34   22                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D04UGJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.680   1.143   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.680   0.318   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.966  -0.095   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.251   0.318   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.251   1.143   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.966   1.556   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.536   1.556   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.822   1.143   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.108   1.556   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.607   1.143   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -0.108   2.381   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       1.321   1.556   0.000  1.00  0.00           O  
HETATM   13  N   UNL     1      -0.822   0.318   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -1.490  -0.167   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.235  -0.952   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.410  -0.952   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.155  -0.167   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.647  -1.666   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.235  -2.381   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.410  -2.381   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.003  -1.666   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.825  -1.666   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.238  -2.381   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.063  -2.381   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.475  -1.666   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       2.063  -0.952   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.238  -0.952   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.902  -0.167   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.063  -0.167   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.966  -0.167   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.680  -0.579   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.680   0.246   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10   11                                            
CONECT   10    9   12                                                 
CONECT   11    9                                                      
CONECT   12   10                                                      
CONECT   13    8   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17   21                                            
CONECT   17   16   13   28                                            
CONECT   18   15   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16   22                                            
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   17   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30   32                                                 
CONECT   32   31   30                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D04UIH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.917   1.117   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.329   0.405   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.917  -0.307   0.000  1.00  0.00           N  
HETATM    4  O   UNL     1      -2.151   0.405   0.000  1.00  0.00           O  
HETATM    5  C   UNL     1      -1.329  -1.019   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.146  -1.105   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.317  -1.909   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -1.605  -2.320   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.994  -1.770   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.190  -1.941   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.095   1.117   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.316   1.829   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.095   2.541   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.917   2.541   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.329   1.829   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.138   1.829   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.621   1.164   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.403   1.418   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1       2.403   2.240   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.621   2.494   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.064  -2.723   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1       0.391  -1.360   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       3.068   2.723   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.068  -2.244   0.000  1.00  0.00           C  
CONECT    1    2   11   15                                            
CONECT    2    1    3    4                                            
CONECT    3    2    5                                                 
CONECT    4    2                                                      
CONECT    5    3    6    9                                            
CONECT    6    5    7                                                 
CONECT    7   24    6    8                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9   21   22                                            
CONECT   11    1   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    1                                                 
CONECT   16   12   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   23   18   20                                            
CONECT   20   19   16                                                 
CONECT   21   10                                                      
CONECT   22   10                                                      
CONECT   23   19                                                      
CONECT   24    7                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D04USU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.001   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.001   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.287  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.572   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.572   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.287   1.444   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.858   1.444   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.143   1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.429  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.715   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.715   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.429   1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.000   1.444   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.715   1.031   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       0.715   0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.429  -0.206   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.143   0.206   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.143   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.429   1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.858  -0.206   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.572   0.206   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1       2.858  -1.031   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       4.287  -0.206   0.000  1.00  0.00           C  
HETATM   25 CL   UNL     1      -5.716  -0.206   0.000  1.00  0.00          Cl  
HETATM   26  N   UNL     1       4.287  -1.031   0.000  1.00  0.00           N  
HETATM   27  N   UNL     1       5.001  -1.444   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       5.716  -1.031   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.716  -0.206   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.001   0.206   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   25                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    8                                                 
CONECT   14   12   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22   23                                            
CONECT   22   21   24                                                 
CONECT   23   21                                                      
CONECT   24   22   26   30                                            
CONECT   25    2                                                      
CONECT   26   24   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   24                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D04UXN
  -OEChem-09301911292D

 58 62  0     1  0  0  0  0  0999 V2000
    8.9282    1.1970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6970    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    2.1970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.1970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.3030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6065   -2.1077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1901   -1.3030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320   -0.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -1.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6065   -0.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5716   -0.2041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6244   -0.1924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1494   -1.0150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7571   -2.0675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7070   -2.0675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -0.8856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.1953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    2.0894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    2.7796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.2221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.2221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    3.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    3.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    1.3047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    0.6144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    2.7796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    2.0894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.3170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -0.6130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.3170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.9230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522   -1.7660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -2.6130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722   -2.8399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7991    0.0911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7991   -2.6970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  2  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 18  1  0  0  0  0
  3 18  2  0  0  0  0
  3 21  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  2  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  5 51  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  6 58  1  0  0  0  0
  7 30  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 38  1  0  0  0  0
 13 15  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 16  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 17  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 17  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 49  1  0  0  0  0
 20 22  1  0  0  0  0
 21 50  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 28  2  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 25 52  1  0  0  0  0
 26 27  2  0  0  0  0
 26 30  1  0  0  0  0
 27 28  1  0  0  0  0
 28 53  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
 29 56  1  0  0  0  0
 30 57  1  0  0  0  0
M  END

$$$$
D04UXO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.938   2.765   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.938   1.940   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.652   1.527   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       3.366   1.940   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       3.366   2.765   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.652   3.177   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.223   3.177   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.509   2.765   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.509   1.940   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.223   1.527   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.206   3.177   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.920   2.765   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.635   3.177   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.349   2.765   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.349   1.940   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.635   1.527   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.920   1.940   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.064   3.177   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.778   2.765   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.493   3.177   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.207   2.765   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.207   1.940   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.493   1.527   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.778   1.940   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       2.652   0.702   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       3.366   0.290   0.000  1.00  0.00           N  
HETATM   27  O   UNL     1       1.938   0.290   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       3.366  -0.535   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.652  -0.948   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.652  -1.773   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.366  -2.185   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.081  -1.773   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.081  -0.948   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       1.938  -2.185   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       1.184  -1.850   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       0.632  -2.463   0.000  1.00  0.00           C  
HETATM   37  N   UNL     1       1.044  -3.177   0.000  1.00  0.00           N  
HETATM   38  C   UNL     1       1.851  -3.006   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.189  -2.377   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       4.795  -2.185   0.000  1.00  0.00           C  
HETATM   41  F   UNL     1       4.382  -2.900   0.000  1.00  0.00           F  
HETATM   42  F   UNL     1       4.080  -1.773   0.000  1.00  0.00           F  
HETATM   43  F   UNL     1       5.207  -1.471   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4   25                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    2                                                 
CONECT   11    8   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   14   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25    3   26   27                                            
CONECT   26   25   28                                                 
CONECT   27   25                                                      
CONECT   28   26   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31   34                                            
CONECT   31   30   32                                                 
CONECT   32   31   33   40                                            
CONECT   33   32   28                                                 
CONECT   34   30   35   38                                            
CONECT   35   34   36                                                 
CONECT   36   35   37   39                                            
CONECT   37   36   38                                                 
CONECT   38   37   34                                                 
CONECT   39   36                                                      
CONECT   40   32   41   42   43                                       
CONECT   41   40                                                      
CONECT   42   40                                                      
CONECT   43   40                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
M  END

$$$$
D04VAE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.386   0.368   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.386  -0.454   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.674  -0.865   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.038  -0.454   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.038   0.368   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.674   0.779   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.681  -0.967   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.482  -0.784   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.839  -0.043   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.482   0.698   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.681   0.881   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.098   0.779   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       1.995   1.341   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.995  -1.426   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.694  -2.192   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.207  -2.834   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.020  -2.712   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.320  -1.947   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.808  -1.304   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.810   1.190   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.522   1.601   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.133  -1.824   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       4.946  -1.702   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.522   2.424   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.234   2.834   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.946   2.424   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.946   1.601   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.234   1.190   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   14                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10    5                                                 
CONECT   12    1   20                                                 
CONECT   13   10                                                      
CONECT   14    8   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   14                                                 
CONECT   20   12   21                                                 
CONECT   21   20   24   28                                            
CONECT   22   18   23                                                 
CONECT   23   22                                                      
CONECT   24   21   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   21                                                 
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D04VDD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.825  -2.143   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.412  -1.429   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.825  -0.715   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.650  -0.715   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.062  -1.429   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.650  -2.143   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.062   0.000   0.000  1.00  0.00           N  
HETATM    8  S   UNL     1      -2.888   0.000   0.000  1.00  0.00           S  
HETATM    9  N   UNL     1      -0.412   0.000   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -2.888   0.825   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1      -2.888  -0.825   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.712   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.125   0.715   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.950   0.715   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.362   0.000   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.950  -0.715   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.125  -0.715   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.188   0.000   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.412   0.000   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.825   0.715   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.650   0.715   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.062   1.429   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.650   2.143   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.825   2.143   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.412   1.429   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       2.062   0.000   0.000  1.00  0.00           N  
HETATM   27  S   UNL     1       2.888   0.000   0.000  1.00  0.00           S  
HETATM   28  C   UNL     1       3.712   0.000   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       2.888   0.825   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       2.888  -0.825   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       4.125  -0.715   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.950  -0.715   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       5.362   0.000   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.950   0.715   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.125   0.715   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       6.188   0.000   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    9                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7   10   11   12                                       
CONECT    9    3   19                                                 
CONECT   10    8                                                      
CONECT   11    8                                                      
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15                                                      
CONECT   19    9   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   21   27                                                 
CONECT   27   26   28   29   30                                       
CONECT   28   27   31   35                                            
CONECT   29   27                                                      
CONECT   30   27                                                      
CONECT   31   28   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   36                                            
CONECT   34   33   35                                                 
CONECT   35   34   28                                                 
CONECT   36   33                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D04VGR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.000  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.715  -0.412   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.429  -0.825   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       2.143  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.858  -0.825   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       3.572  -0.412   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1       4.287  -0.825   0.000  1.00  0.00           N  
HETATM    8  O   UNL     1       0.715   0.412   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       2.143   0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.858   0.825   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.858   1.650   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.683   0.825   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       2.858  -1.650   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       3.572   0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.287  -1.650   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       5.001  -0.412   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       5.716   0.000   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.715  -0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.429  -0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.429  -1.650   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.715  -2.062   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.000  -1.650   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.143  -0.412   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.858   0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.572   0.412   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.572  -0.412   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.858  -0.825   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.287   0.825   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.287   1.650   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.001   2.062   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.716   1.650   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.716   0.825   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.001   0.412   0.000  1.00  0.00           C  
CONECT    1    2   18   22                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6   13                                            
CONECT    6    5    7   14                                            
CONECT    7    6   15   16                                            
CONECT    8    2                                                      
CONECT    9    4   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13    5                                                      
CONECT   14    6                                                      
CONECT   15    7                                                      
CONECT   16    7   17                                                 
CONECT   17   16                                                      
CONECT   18    1   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21    1                                                 
CONECT   23   19   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   26   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D04VJX
  -OEChem-09301911262D

 35 38  0     0  0  0  0  0  0999 V2000
    6.7619    1.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    2.9432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    2.8819    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -0.8348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2316   -3.4802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    2.9432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279    2.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279    3.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    2.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    2.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -0.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318   -1.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103   -1.5791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209   -2.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6014    3.5421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4158    1.8606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2385    2.3356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2385    3.5509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4158    4.0258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519    3.4802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.6972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7144   -0.2945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815    0.5772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.8872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.2672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2177   -1.8344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  2 29  1  0  0  0  0
  3  5  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  2  0  0  0  0
  5 20  2  0  0  0  0
  6 18  1  0  0  0  0
  6 22  2  0  0  0  0
  7 23  3  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 30  1  0  0  0  0
 17 21  2  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
M  END

$$$$
D04VQE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.300  -0.296   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.888  -1.010   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.062  -1.010   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.650  -0.296   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.062   0.419   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.888   0.419   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.825  -0.296   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.412   0.419   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.412  -1.010   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.412  -1.010   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.825  -1.725   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.650  -1.725   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.062  -1.010   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.650  -0.296   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.825  -0.296   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.888  -1.010   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.300  -1.725   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       3.300  -0.296   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       2.888   0.419   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       0.408   0.505   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.580   1.312   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.135   1.725   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1      -0.748   1.173   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       1.333   1.648   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   20   23                                            
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18                                                      
CONECT   20    8   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22    8                                                 
CONECT   24   21                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D04VSB
  -OEChem-09301911172D

 44 48  0     0  0  0  0  0  0999 V2000
    4.0281   -1.6543    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4359    3.4354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7716    1.9468    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1287    0.2520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4859   -3.0523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0858    0.6644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371   -0.2530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8590   -0.0451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.0157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0822    2.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7930    1.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4144    3.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1252    2.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4394    1.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4859   -1.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5397   -1.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5397   -2.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7966   -0.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0695   -2.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6737   -1.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4179    1.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8076   -1.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6737   -3.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7751   -0.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8076   -2.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9416   -1.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3590   -0.9112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6291    2.6053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4648    3.3852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667    1.4130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0243    1.1653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9407    3.9693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1831    4.2169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5783    2.7769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7426    1.9970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6895   -2.2476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6785   -3.6416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6737   -0.6276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6105    1.9980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6737   -3.8676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1892   -0.7476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2707   -3.0576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1122   -1.5821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 14  1  0  0  0  0
  4 14  2  0  0  0  0
  4 18  1  0  0  0  0
  5 17  1  0  0  0  0
  5 19  1  0  0  0  0
  5 37  1  0  0  0  0
  6 21  2  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  2  0  0  0  0
  8 27  2  0  0  0  0
  9 27  1  0  0  0  0
  9 43  1  0  0  0  0
  9 44  1  0  0  0  0
 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 13  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 17 23  1  0  0  0  0
 18 24  2  0  0  0  0
 19 36  1  0  0  0  0
 20 22  2  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 25  2  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  END

$$$$
D04VUH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.359   0.240   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.359  -0.585   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.644  -0.997   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.930  -0.585   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.930   0.240   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.644   0.653   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.215  -0.997   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.501  -0.585   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.501   0.240   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.215   0.653   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.044  -1.804   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.223  -1.890   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.888  -1.137   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.786   0.653   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.072   0.240   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.357   0.653   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.072  -0.585   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       0.357   0.240   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.072   0.653   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.072   1.478   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.357   1.890   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.357   1.478   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       1.786   1.890   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       2.501   1.478   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.215   1.890   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.930   1.478   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.930   0.653   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.644   0.240   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.359   0.653   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.359   1.478   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.644   1.890   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       2.501   0.653   0.000  1.00  0.00           O  
HETATM   33  O   UNL     1      -3.215   1.478   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10   14                                            
CONECT   10    9    5   33                                            
CONECT   11    7   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    9   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   18   22                                            
CONECT   17   15                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   16                                                 
CONECT   23   20   24                                                 
CONECT   24   23   25   32                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   24                                                      
CONECT   33   10                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D04VYE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.008   0.154   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.712   0.925   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.425  -0.429   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.690  -0.054   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.819   0.760   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.406   1.475   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.419   1.475   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.831   2.189   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.656   2.189   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.069   1.475   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.894   1.475   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       3.306   2.189   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.894   2.904   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.069   2.904   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       3.306   0.760   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       4.103   0.547   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.425  -1.254   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.710  -1.666   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.710  -2.491   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.004  -2.904   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.719  -2.491   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.719  -1.666   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       0.004  -1.254   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       0.107  -0.268   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.819   2.189   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1       0.831   0.760   0.000  1.00  0.00           O  
HETATM   27  F   UNL     1       1.433  -2.904   0.000  1.00  0.00           F  
HETATM   28  C   UNL     1      -2.296   1.508   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.093   1.294   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.306   0.498   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.723  -0.086   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1      -3.676   1.878   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -3.463   2.675   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1      -4.103   0.284   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -1.425  -2.904   0.000  1.00  0.00           F  
CONECT    1    2    3   31                                            
CONECT    2    1    5   28                                            
CONECT    3    1    4   17                                            
CONECT    4    3    5   24                                            
CONECT    5    4    2    6                                            
CONECT    6    5    7   25                                            
CONECT    7    6    8   26                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   11   16                                                 
CONECT   16   15                                                      
CONECT   17    3   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20   35                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   27                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24    4                                                      
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27   21                                                      
CONECT   28    2   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31   34                                            
CONECT   31   30    1                                                 
CONECT   32   29   33                                                 
CONECT   33   32                                                      
CONECT   34   30                                                      
CONECT   35   19                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D04WCW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.199   2.681   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.199   1.856   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.484   1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.770   1.856   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.770   2.681   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.484   3.094   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.484   0.619   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.770   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.055   0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.659   0.206   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.770  -0.619   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1      -1.484  -1.031   0.000  1.00  0.00           O  
HETATM   13  N   UNL     1       0.659  -0.619   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.374  -1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.374  -1.856   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.088  -2.269   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       1.272   0.758   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       0.937   1.512   0.000  1.00  0.00           O  
HETATM   19  N   UNL     1       0.116   1.426   0.000  1.00  0.00           N  
HETATM   20  F   UNL     1      -1.484   3.919   0.000  1.00  0.00           F  
HETATM   21 BR   UNL     1      -2.913   3.094   0.000  1.00  0.00          Br  
HETATM   22  S   UNL     1       2.088  -3.094   0.000  1.00  0.00           S  
HETATM   23  N   UNL     1       2.088  -3.919   0.000  1.00  0.00           N  
HETATM   24  O   UNL     1       2.913  -3.094   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1       1.263  -3.094   0.000  1.00  0.00           O  
CONECT    1    2    6   21                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   20                                            
CONECT    7    3    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10   19                                            
CONECT   10    9   13   17                                            
CONECT   11    8   12                                                 
CONECT   12   11                                                      
CONECT   13   10   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   22                                                 
CONECT   17   10   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18    9                                                 
CONECT   20    6                                                      
CONECT   21    1                                                      
CONECT   22   16   23   24   25                                       
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25   22                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D04WKL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.093   4.327   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.093   3.502   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.378   3.090   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.664   3.502   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.664   4.327   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.378   4.740   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.949   4.740   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -6.807   3.090   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -6.807   2.265   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.949   3.090   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.235   3.502   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.521   3.090   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -3.235   4.327   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.806   3.502   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.012   3.725   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.422   3.148   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.826   2.429   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.007   3.298   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.333   2.265   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.621   2.207   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.799   1.918   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       0.377   2.685   0.000  1.00  0.00           N  
HETATM   23  H   UNL     1      -2.219   4.217   0.000  1.00  0.00           H  
HETATM   24  C   UNL     1       1.091   3.098   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.806   2.685   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.521   3.098   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.235   2.685   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.949   3.098   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.664   2.685   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       5.378   3.098   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       6.093   2.685   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       6.093   1.860   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       5.378   1.448   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       5.378   0.623   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       6.093   0.210   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       6.807   0.623   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       6.807   1.448   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1       6.093  -0.615   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1       5.378  -1.028   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       4.664  -0.615   0.000  1.00  0.00           C  
HETATM   41  N   UNL     1       3.949  -1.028   0.000  1.00  0.00           N  
HETATM   42  O   UNL     1       4.664   0.210   0.000  1.00  0.00           O  
HETATM   43  C   UNL     1       3.235  -0.615   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       2.521  -1.028   0.000  1.00  0.00           C  
HETATM   45  N   UNL     1       2.521  -1.853   0.000  1.00  0.00           N  
HETATM   46  C   UNL     1       3.235  -2.265   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1       3.949  -1.853   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1       1.806  -2.265   0.000  1.00  0.00           C  
HETATM   49  C   UNL     1       1.091  -1.853   0.000  1.00  0.00           C  
HETATM   50  N   UNL     1       1.091  -1.028   0.000  1.00  0.00           N  
HETATM   51  C   UNL     1       0.377  -0.615   0.000  1.00  0.00           C  
HETATM   52  C   UNL     1      -0.337  -1.028   0.000  1.00  0.00           C  
HETATM   53  C   UNL     1      -0.337  -1.853   0.000  1.00  0.00           C  
HETATM   54  N   UNL     1       0.377  -2.265   0.000  1.00  0.00           N  
HETATM   55  C   UNL     1       0.377   0.210   0.000  1.00  0.00           C  
HETATM   56  C   UNL     1      -0.337   0.623   0.000  1.00  0.00           C  
HETATM   57  C   UNL     1      -1.052   0.210   0.000  1.00  0.00           C  
HETATM   58  C   UNL     1      -1.052  -0.615   0.000  1.00  0.00           C  
HETATM   59  O   UNL     1      -1.052  -2.265   0.000  1.00  0.00           O  
HETATM   60  C   UNL     1       0.377  -3.090   0.000  1.00  0.00           C  
HETATM   61  C   UNL     1      -0.337  -3.502   0.000  1.00  0.00           C  
HETATM   62  C   UNL     1      -0.337  -4.327   0.000  1.00  0.00           C  
HETATM   63  C   UNL     1       0.377  -4.740   0.000  1.00  0.00           C  
HETATM   64  C   UNL     1       1.091  -4.327   0.000  1.00  0.00           C  
HETATM   65  C   UNL     1       1.091  -3.502   0.000  1.00  0.00           C  
HETATM   66  O   UNL     1      -1.052  -3.090   0.000  1.00  0.00           O  
HETATM   67  C   UNL     1      -1.766  -3.502   0.000  1.00  0.00           C  
HETATM   68  C   UNL     1      -2.481  -3.090   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    2    9                                                 
CONECT    9    8                                                      
CONECT   10    4   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11   14                                                 
CONECT   13   11                                                      
CONECT   14   12   15   18   23                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   22                                            
CONECT   17   16   20                                                 
CONECT   18   14   19                                                 
CONECT   19   18   21   22                                            
CONECT   20   17   21                                                 
CONECT   21   20   19                                                 
CONECT   22   19   16   24                                            
CONECT   23   14                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   37                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36   38                                            
CONECT   36   35   37                                                 
CONECT   37   36   32                                                 
CONECT   38   35   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41   42                                            
CONECT   41   40   43   47                                            
CONECT   42   40                                                      
CONECT   43   41   44                                                 
CONECT   44   43   45                                                 
CONECT   45   44   46   48                                            
CONECT   46   45   47                                                 
CONECT   47   46   41                                                 
CONECT   48   45   49                                                 
CONECT   49   48   50   54                                            
CONECT   50   49   51                                                 
CONECT   51   50   52   55                                            
CONECT   52   51   53   58                                            
CONECT   53   52   54   59                                            
CONECT   54   53   49   60                                            
CONECT   55   51   56                                                 
CONECT   56   55   57                                                 
CONECT   57   56   58                                                 
CONECT   58   57   52                                                 
CONECT   59   53                                                      
CONECT   60   54   61   65                                            
CONECT   61   60   62   66                                            
CONECT   62   61   63                                                 
CONECT   63   62   64                                                 
CONECT   64   63   65                                                 
CONECT   65   64   60                                                 
CONECT   66   61   67                                                 
CONECT   67   66   68                                                 
CONECT   68   67                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
M  END

$$$$
D04WNI
  -OEChem-09301911192D

 39 41  0     1  0  0  0  0  0999 V2000
    6.8671    1.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9950   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7220   -1.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4114    0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7331    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4114   -0.8047    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   10.9487    1.1140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1603    1.3716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9791   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2191   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0230    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7830    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3287   -1.8831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2  9  1  0  0  0  0
  2 22  1  0  0  0  0
  3 10  1  0  0  0  0
  3 16  1  0  0  0  0
  4 22  1  0  0  0  0
  4 39  1  0  0  0  0
  5 12  1  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  2  0  0  0  0
  8 15  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 13  1  0  0  0  0
 11 13  2  0  0  0  0
 11 25  1  0  0  0  0
 12 14  1  0  0  0  0
 12 21  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 19  1  0  0  0  0
 17 31  1  0  0  0  0
 18 20  2  0  0  0  0
 18 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
M  END

$$$$
D04WNN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.072   1.519   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.072   0.694   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.786   0.281   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       2.501   0.694   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.501   1.519   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       1.786   1.931   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       0.357   1.931   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.357   1.519   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.357   0.694   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.357   0.281   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1      -1.072   0.281   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.072  -0.544   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.786  -0.956   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.786  -1.781   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.072  -2.194   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.357  -1.781   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.357  -0.956   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.786  -0.544   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.072  -0.956   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.072  -1.781   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       1.786  -2.194   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       2.501  -1.781   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.501  -0.956   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.786   2.756   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       3.215   1.931   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       3.215   0.281   0.000  1.00  0.00           C  
HETATM   27  S   UNL     1      -2.501  -2.194   0.000  1.00  0.00           S  
HETATM   28  O   UNL     1      -2.913  -1.479   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1      -3.215  -2.606   0.000  1.00  0.00           O  
HETATM   30  N   UNL     1      -1.938  -2.344   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -0.509  -2.344   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.223  -2.756   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4   18                                            
CONECT    4    3    5   26                                            
CONECT    5    4    6   25                                            
CONECT    6    5    1   24                                            
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    2                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   27                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    3   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24    6                                                      
CONECT   25    5                                                      
CONECT   26    4                                                      
CONECT   27   14   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27   32                                                 
CONECT   31   32                                                      
CONECT   32   30   31                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D04XHE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.561  -1.646   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.561  -2.471   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.847  -2.884   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.132  -2.471   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.132  -1.646   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.847  -1.234   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.582  -2.884   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.297  -2.471   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.297  -1.646   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.582  -1.234   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.081  -2.726   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.566  -2.059   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.081  -1.391   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.011  -0.409   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.297   0.004   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.582  -0.409   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.346  -1.391   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.831  -2.059   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.346  -2.726   0.000  1.00  0.00           O  
HETATM   20  H   UNL     1       0.582  -2.059   0.000  1.00  0.00           H  
HETATM   21  H   UNL     1       1.297  -0.821   0.000  1.00  0.00           H  
HETATM   22  O   UNL     1      -0.132   0.004   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.847  -0.409   0.000  1.00  0.00           C  
HETATM   24  S   UNL     1      -1.561   0.004   0.000  1.00  0.00           S  
HETATM   25  C   UNL     1      -2.276  -0.409   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       1.297   0.829   0.000  1.00  0.00           O  
HETATM   27 SI   UNL     1       2.009   1.240   0.000  1.00  0.00          Si  
HETATM   28  C   UNL     1       2.009   2.062   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.420   0.528   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.831   1.240   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.297   2.473   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.009   2.884   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.721   2.473   0.000  1.00  0.00           C  
CONECT    1    2    6   17                                            
CONECT    2    1    3   19                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10   13   21                                       
CONECT   10    9    5   16   20                                       
CONECT   11    8   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    9   14                                            
CONECT   14   13   15                                                 
CONECT   15   26   14   16                                            
CONECT   16   15   10   22                                            
CONECT   17    1   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18    2                                                 
CONECT   20   10                                                      
CONECT   21    9                                                      
CONECT   22   16   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24                                                      
CONECT   26   27   15                                                 
CONECT   27   28   29   30   26                                       
CONECT   28   31   32   33   27                                       
CONECT   29   27                                                      
CONECT   30   27                                                      
CONECT   31   28                                                      
CONECT   32   28                                                      
CONECT   33   28                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D04XHJ
  -OEChem-09301911142D

 52 56  0     0  0  0  0  0  0999 V2000
    2.5906    2.1985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7954   -0.6544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625    0.0827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9781   -2.4679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6244   -3.0060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9136   -1.8492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3977    0.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4036    0.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9883    1.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8013   -0.5464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3703   -0.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2364    0.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9351   -2.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1024    1.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3703    1.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6460   -3.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1024    2.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9963    1.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3703    2.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2364    3.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9963    3.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9024    1.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9024    2.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0316   -0.1318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8015    0.3286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4447   -0.1421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4174    0.7281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5035    1.5205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1992   -0.6943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8424   -1.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5709    1.8390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4848    1.0466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1868    2.2384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5436    2.7091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3404    2.7657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4484   -0.4051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8469    0.2852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8334    1.3676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4533   -3.8015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9892    0.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3277   -2.3107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1062   -1.2599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8334    2.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2364    3.7976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9892    3.8322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4381    1.3447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4381    3.0104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  2  0  0  0  0
  4 13  2  0  0  0  0
  4 21  1  0  0  0  0
  5 18  1  0  0  0  0
  5 21  2  0  0  0  0
  6 18  1  0  0  0  0
  6 46  1  0  0  0  0
  6 47  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 29  1  0  0  0  0
  8 11  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 12  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 27  1  0  0  0  0
 23 45  1  0  0  0  0
 24 25  2  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 28  1  0  0  0  0
 26 50  1  0  0  0  0
 27 28  2  0  0  0  0
 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
M  END

$$$$
D04XII
  -OEChem-09301911212D

 60 62  0     1  0  0  0  0  0999 V2000
    6.3301    4.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301   -3.1340    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301   -4.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    3.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    4.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    4.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    5.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062    3.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1 24  1  0  0  0  0
  1 31  1  0  0  0  0
  2 32  1  0  0  0  0
  3 32  1  0  0  0  0
  4 32  1  0  0  0  0
  7 30  1  0  0  0  0
  7 59  1  0  0  0  0
  8 33  1  0  0  0  0
  8 60  1  0  0  0  0
  9 13  1  0  0  0  0
  9 16  1  0  0  0  0
  9 21  1  0  0  0  0
 10 14  1  0  0  0  0
 10 17  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 27  2  0  0  0  0
 12 21  2  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  1  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 48  1  0  0  0  0
 23 26  2  0  0  0  0
 23 49  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 30  1  0  0  0  0
 26 50  1  0  0  0  0
 27 29  1  0  0  0  0
 27 32  1  0  0  0  0
 28 29  2  0  0  0  0
 28 51  1  0  0  0  0
 29 33  1  0  0  0  0
 30 52  1  0  0  0  0
 30 53  1  0  0  0  0
 31 54  1  0  0  0  0
 31 55  1  0  0  0  0
 31 56  1  0  0  0  0
 33 57  1  0  0  0  0
 33 58  1  0  0  0  0
M  END

$$$$
D04YKV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.470   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.470  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.756  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.041  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.041   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.756   0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.185  -1.238   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.673   0.412   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.388   0.000   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1       0.673   1.238   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1       2.185   0.213   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9                                                      
MASTER        0    0    0    0    0    0    0    0   11    0   11    0
END
M  END

$$$$
D04YMG
  -OEChem-09301911292D

 44 46  0     0  0  0  0  0  0999 V2000
    6.3465    2.8654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1244    2.8550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923    1.8683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320    0.3650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9962    1.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2641    1.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    1.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    1.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    1.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.7518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.0615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509   -0.8238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760    2.3678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.1408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560    1.2939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.9792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.3592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.7892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8060    3.1692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.9792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9985    0.7383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2569    2.3381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4599    2.3350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1304    1.5604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 39  1  0  0  0  0
  2 12  2  0  0  0  0
  3 22  2  0  0  0  0
  4 27  1  0  0  0  0
  4 44  1  0  0  0  0
  5 27  2  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  2  0  0  0  0
  8 22  1  0  0  0  0
  8 26  1  0  0  0  0
  8 41  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 19  1  0  0  0  0
 14 30  1  0  0  0  0
 15 18  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 31  1  0  0  0  0
 18 22  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 23  1  0  0  0  0
 20 35  1  0  0  0  0
 21 24  2  0  0  0  0
 21 36  1  0  0  0  0
 23 25  2  0  0  0  0
 23 37  1  0  0  0  0
 24 25  1  0  0  0  0
 24 38  1  0  0  0  0
 25 40  1  0  0  0  0
 26 27  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
M  END

$$$$
D04ZEX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.706   0.740   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.706  -0.085   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.009  -0.497   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.723  -0.085   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.723   0.740   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.009   1.153   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.438   1.153   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.152   0.740   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1       1.438   1.978   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1       2.238  -0.080   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       3.045  -0.252   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.458   0.463   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.906   1.076   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       4.278   0.549   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.420  -0.497   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.135  -0.085   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.135   0.740   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.849   1.153   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.564   0.740   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.564  -0.085   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.849  -0.497   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -4.278   1.153   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.364   1.973   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.171   2.145   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -5.584   1.430   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.032   0.817   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.203   0.010   0.000  1.00  0.00           C  
HETATM   28  S   UNL     1       4.763  -0.119   0.000  1.00  0.00           S  
HETATM   29  C   UNL     1       5.584  -0.032   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       4.049  -0.531   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       4.977  -0.916   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -2.849  -1.322   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1      -3.671  -1.322   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -2.849  -2.145   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -2.027  -1.322   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   15                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10   13                                            
CONECT    9    7                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    8                                                 
CONECT   14   12   28                                                 
CONECT   15    2   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   32   20   16                                            
CONECT   22   19   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   22   27                                            
CONECT   27   26                                                      
CONECT   28   14   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
CONECT   32   33   34   35   21                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D04ZLC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.261   1.374   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.261   0.549   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.546   0.136   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.832   0.549   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.832   1.374   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.546   1.786   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.047   0.294   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.562   0.961   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.047   1.629   0.000  1.00  0.00           C  
HETATM   10  S   UNL     1       0.263   0.961   0.000  1.00  0.00           S  
HETATM   11  N   UNL     1       0.675   0.247   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1       0.263   1.786   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1       1.060   1.175   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.500   0.247   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.913  -0.468   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.500  -1.182   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.913  -1.897   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.738  -1.897   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.150  -1.182   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.738  -0.468   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       3.150  -2.611   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1      -3.975   1.786   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.975   2.611   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.975  -2.611   0.000  1.00  0.00           C  
CONECT    1    2    6   22                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11   12   13                                       
CONECT   11   10   14                                                 
CONECT   12   10                                                      
CONECT   13   10                                                      
CONECT   14   11   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   24                                                 
CONECT   22    1   23                                                 
CONECT   23   22                                                      
CONECT   24   21                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D04ZXR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.946  -1.016   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.946  -1.841   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.232  -2.254   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.517  -1.841   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.517  -1.016   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.232  -0.604   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.732  -2.096   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -1.248  -1.429   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.732  -0.761   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.232   0.221   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.732  -2.921   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.018  -3.333   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.447  -3.333   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.478   0.024   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.671   0.195   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.416   0.980   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.968   1.593   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.775   1.421   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.030   0.637   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.713   2.377   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.094   2.549   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       0.646   1.936   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1       0.349   3.333   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       1.453   2.107   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.005   1.494   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.812   1.666   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.067   2.450   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.515   3.063   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.708   2.892   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.363   1.055   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       3.946   1.638   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       3.946   0.472   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       2.779   0.472   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   14                                            
CONECT   10    6                                                      
CONECT   11    7   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14    9   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   24                                                 
CONECT   23   21                                                      
CONECT   24   22   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   26   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D04ZZM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858   0.704   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858  -0.121   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -0.533   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429  -0.121   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429   0.704   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143   1.117   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.572  -0.533   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.000   0.704   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.715   1.117   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.429   0.704   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.715   1.117   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.715  -0.533   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       1.429  -0.121   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.143  -0.533   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.858  -0.121   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.858   0.704   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.143   1.117   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       3.572   1.117   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       3.572   1.942   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       2.143  -1.358   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       1.560  -1.942   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   12                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    9   11                                                 
CONECT    9    8   10                                                 
CONECT   10    9   13   17                                            
CONECT   11    5    8                                                 
CONECT   12    4                                                      
CONECT   13   10   14                                                 
CONECT   14   13   15   20                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   10                                                 
CONECT   18   16   19                                                 
CONECT   19   18                                                      
CONECT   20   14   21                                                 
CONECT   21   20                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D05AFD
  -OEChem-09301911232D

 49 53  0     0  0  0  0  0  0999 V2000
    8.7628   -6.1224    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9511    3.9618    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5851    0.9320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3171    0.9320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655   -3.1026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9831   -1.5888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6678    2.8094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3107    4.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5998    5.6610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4511   -0.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5851   -0.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4511    2.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4511    1.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9831   -0.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464    3.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9570    3.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9257   -3.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2558    3.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892    4.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9141   -4.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7974   -3.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7743   -5.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6576   -3.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6461   -4.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3171   -2.6880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9142   -1.8780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8540    1.2420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0699    0.5866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8951    0.4689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0481    0.2420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2751   -0.6049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -3.4064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5189   -0.2351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8451    2.8230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3736   -4.9163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8046   -2.5027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933    3.4258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1981   -3.3288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1794   -4.9487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1858    6.1224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2065    5.7888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2 23  1  0  0  0  0
  2 25  1  0  0  0  0
  3 20  2  0  0  0  0
  4 11  1  0  0  0  0
  4 20  1  0  0  0  0
  4 35  1  0  0  0  0
  5 14  1  0  0  0  0
  5 24  1  0  0  0  0
  5 40  1  0  0  0  0
  6 14  2  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 29  2  0  0  0  0
  8 26  2  0  0  0  0
  8 29  1  0  0  0  0
  9 26  1  0  0  0  0
  9 48  1  0  0  0  0
  9 49  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 17  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 18  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 21  2  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 19 25  2  0  0  0  0
 21 41  1  0  0  0  0
 22 23  2  0  0  0  0
 23 26  1  0  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
 25 42  1  0  0  0  0
 27 30  1  0  0  0  0
 27 43  1  0  0  0  0
 28 31  2  0  0  0  0
 28 44  1  0  0  0  0
 29 45  1  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
 31 46  1  0  0  0  0
 32 47  1  0  0  0  0
M  END

$$$$
D05AIC
  -OEChem-09301911102D

 45 48  0     0  0  0  0  0  0999 V2000
    9.7971   -0.2861    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.7541    0.1263    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8580    1.3282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5044    0.7901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.6714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2152   -1.9761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7988   -1.1714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4614    1.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1507    0.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7935    1.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1722    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8150    1.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4399    1.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5259    0.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2152   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1077    0.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7506    2.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0862    0.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7291    2.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3969    1.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6540    1.7918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1713   -0.3677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7645    0.1646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3199    2.2744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5623    2.5221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6459   -0.2819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4035   -0.5295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7945    2.3602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2012    1.8279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    0.3035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    0.3035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249   -0.0888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264   -0.7791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -2.6464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -2.6464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3365    2.8207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4078   -2.5655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9217    3.1548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0036    1.9490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 23  1  0  0  0  0
  3 14  2  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 42  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  6 43  1  0  0  0  0
  7 16  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 12  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 21  2  0  0  0  0
 13 22  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 20  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 41  1  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
M  END

$$$$
D05AJX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.350   0.933   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.636   0.520   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.636  -0.305   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.078  -0.717   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.793  -0.305   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.793   0.520   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.078   0.933   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       0.078   1.758   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       1.507  -0.717   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.222  -0.305   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.936  -0.717   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.936  -1.542   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.651  -1.955   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.365  -1.542   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.365  -0.717   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.651  -0.305   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       5.150  -1.797   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       5.635  -1.130   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       5.150  -0.462   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       5.405  -2.582   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.350   1.758   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.065   2.170   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.779   1.758   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.779   0.933   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.065   0.520   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.494   2.170   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.208   1.758   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.208   0.933   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.494   0.520   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       2.222   0.520   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       3.651   0.520   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.923   2.170   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1      -5.635   2.582   0.000  1.00  0.00           N  
CONECT    1    2   21   25                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    7                                                 
CONECT    7    6    2    8                                            
CONECT    8    7                                                      
CONECT    9    5   10                                                 
CONECT   10    9   11   30                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16   19                                            
CONECT   16   15   11   31                                            
CONECT   17   14   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   15                                                 
CONECT   20   17                                                      
CONECT   21    1   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25   29                                            
CONECT   25   24    1                                                 
CONECT   26   23   27                                                 
CONECT   27   32   26   28                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   10                                                      
CONECT   31   16                                                      
CONECT   32   33   27                                                 
CONECT   33   32                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D05AQT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429   0.183   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.715  -0.229   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.000   0.183   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.715  -0.229   0.000  1.00  0.00           N  
HETATM    5  O   UNL     1       0.000   1.008   0.000  1.00  0.00           O  
HETATM    6  N   UNL     1      -1.515   1.004   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.322   1.175   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.735   0.461   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.183  -0.152   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.963   1.617   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.218   2.402   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.025   2.573   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.577   1.960   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.429   0.183   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.183  -0.152   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.735   0.461   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       2.322   1.175   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.515   1.004   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.577   1.960   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.025   2.573   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.218   2.402   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.963   1.617   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.354  -0.959   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.741  -1.511   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.913  -2.318   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.697  -2.573   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.310  -2.021   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.139  -1.214   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.354  -0.959   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.139  -1.214   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.310  -2.021   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.697  -2.573   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.913  -2.318   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.741  -1.511   0.000  1.00  0.00           C  
CONECT    1    2    6    9                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    5                                            
CONECT    4    3   14                                                 
CONECT    5    3                                                      
CONECT    6    1    7   10                                            
CONECT    7    6    8   13                                            
CONECT    8    7    9                                                 
CONECT    9    8    1   29                                            
CONECT   10    6   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    7                                                 
CONECT   14    4   15   18                                            
CONECT   15   14   16   23                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   14   22                                            
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   18                                                 
CONECT   23   15   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29    9   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END

$$$$

$$$$

$$$$
D05AWM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.625   1.554   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.625   0.729   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.841   0.474   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.355   1.142   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.841   1.809   0.000  1.00  0.00           N  
HETATM    6  O   UNL     1      -3.292   2.039   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.292   0.244   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.046   0.580   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.714   0.095   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.627  -0.725   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.874  -1.061   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.206  -0.576   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.788  -1.881   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.073  -2.294   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.073  -3.119   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.358  -3.531   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.358  -4.356   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.644  -3.119   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.644  -3.944   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.943   0.427   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.118   0.427   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.294   1.142   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.118   1.856   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.943   1.856   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.119   1.142   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.532   1.856   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.532   0.427   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.944   1.142   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.627   2.606   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.830   2.820   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.247   2.236   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.550   2.450   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       0.764   3.247   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       0.180   3.830   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.617   3.617   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       1.561   3.460   0.000  1.00  0.00           C  
HETATM   37  N   UNL     1       2.144   2.877   0.000  1.00  0.00           N  
HETATM   38  O   UNL     1       1.774   4.257   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1       2.941   3.091   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       3.524   2.507   0.000  1.00  0.00           C  
HETATM   41  N   UNL     1       3.395   1.692   0.000  1.00  0.00           N  
HETATM   42  N   UNL     1       4.130   1.318   0.000  1.00  0.00           N  
HETATM   43  N   UNL     1       4.714   1.901   0.000  1.00  0.00           N  
HETATM   44  N   UNL     1       4.339   2.636   0.000  1.00  0.00           N  
HETATM   45  C   UNL     1      -2.210   3.190   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1      -3.007   2.976   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.591   3.559   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1      -4.387   3.346   0.000  1.00  0.00           C  
HETATM   49  C   UNL     1      -3.377   4.356   0.000  1.00  0.00           C  
HETATM   50  C   UNL     1      -4.174   4.143   0.000  1.00  0.00           C  
CONECT    1    2    5    6                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   20   24                                       
CONECT    5    4    1   29                                            
CONECT    6    1                                                      
CONECT    7    2    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11    7                                                 
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18   19                                       
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19   16                                                      
CONECT   20    4   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23    4                                                 
CONECT   25   22   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
CONECT   29    5   30   45                                            
CONECT   30   29   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   36                                            
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
CONECT   36   33   37   38                                            
CONECT   37   36   39                                                 
CONECT   38   36                                                      
CONECT   39   37   40                                                 
CONECT   40   39   41   44                                            
CONECT   41   40   42                                                 
CONECT   42   41   43                                                 
CONECT   43   42   44                                                 
CONECT   44   43   40                                                 
CONECT   45   29   46                                                 
CONECT   46   45   47                                                 
CONECT   47   46   48   49   50                                       
CONECT   48   47                                                      
CONECT   49   47                                                      
CONECT   50   47                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
M  END

$$$$
D05AXE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.410   1.148   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.997   0.434   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.172   0.434   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.760   1.148   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.172   1.863   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.997   1.863   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.760  -0.281   0.000  1.00  0.00           C  
HETATM    8 CL   UNL     1      -3.410  -0.281   0.000  1.00  0.00          Cl  
HETATM    9  F   UNL     1      -0.935   1.148   0.000  1.00  0.00           F  
HETATM   10  N   UNL     1      -2.095  -1.034   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.482  -1.586   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.768  -1.174   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.939  -0.367   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.568  -2.407   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.014  -1.509   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1      -0.901  -2.892   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1      -2.322  -2.742   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.654  -1.024   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.407  -1.360   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.075  -0.875   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.988  -0.055   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.235   0.281   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.567  -0.204   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.656   0.430   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       3.410   0.095   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1       2.570   1.251   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       3.237   1.736   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.151   2.556   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       2.397   2.892   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       1.730   2.407   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.816   1.586   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3   10   13                                            
CONECT    8    2                                                      
CONECT    9    4                                                      
CONECT   10    7   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13   15                                            
CONECT   13   12    7                                                 
CONECT   14   11   16   17                                            
CONECT   15   12   18                                                 
CONECT   16   14                                                      
CONECT   17   14                                                      
CONECT   18   15   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   21   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D05BGS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.690   0.328   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.690  -0.497   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.976  -0.910   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.262  -0.497   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.262   0.328   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.976   0.740   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.453  -0.910   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.167  -0.497   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.921  -0.833   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       2.473  -0.220   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.061   0.495   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       1.254   0.323   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       3.298  -0.220   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.711   0.495   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.298   1.209   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.473   1.209   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.405   0.740   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.491   1.561   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.298   1.732   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.711   1.018   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.159   0.405   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.405  -0.910   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.405  -1.732   0.000  1.00  0.00           C  
CONECT    1    2    6   17                                            
CONECT    2   22    1    3                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12   16                                            
CONECT   12   11    8                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    1   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   17                                                 
CONECT   22   23    2                                                 
CONECT   23   22                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D05BVP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.125  -0.206   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.125  -1.031   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.411  -1.444   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.696  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.696  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.411   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.018  -1.444   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.733  -1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.733  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.018   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.447   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.162  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.876   0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.876   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.162   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.447   1.031   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.661  -0.049   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       4.146   0.619   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       3.661   1.286   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1      -1.411   1.031   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.125   1.444   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.840   1.031   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.594   1.367   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.146   0.754   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.733   0.039   0.000  1.00  0.00           C  
HETATM   26  S   UNL     1      -2.926   0.211   0.000  1.00  0.00           S  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   20                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   13   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20    6   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   22                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D05BYE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.071   1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.071   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.357   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.642   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.642   1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.357   1.650   0.000  1.00  0.00           C  
HETATM    7 BR   UNL     1      -4.786   1.650   0.000  1.00  0.00          Br  
HETATM    8  N   UNL     1      -3.357  -0.825   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.642  -1.238   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.928  -0.825   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.642  -2.062   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1      -3.357  -2.475   0.000  1.00  0.00           O  
HETATM   13  F   UNL     1      -3.357   2.475   0.000  1.00  0.00           F  
HETATM   14  O   UNL     1      -1.928   0.000   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.213  -1.238   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.000  -2.034   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.203  -1.821   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.416  -1.024   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.512  -2.233   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.226  -1.821   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       1.940  -2.233   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.655  -1.821   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.226  -0.996   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       3.409  -2.156   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       3.961  -1.543   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1       3.548  -0.829   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.741  -1.000   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.786  -1.543   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   13                                            
CONECT    7    1                                                      
CONECT    8    3    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   14   15                                            
CONECT   11    9   12                                                 
CONECT   12   11                                                      
CONECT   13    6                                                      
CONECT   14   10                                                      
CONECT   15   10   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   15                                                 
CONECT   19   17   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   24   27                                            
CONECT   23   20                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D05CBS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.574  -0.674   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.574  -1.499   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.859  -1.911   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.145  -1.499   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.145  -0.674   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.859  -0.261   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.430  -0.261   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.716  -0.674   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.001  -0.261   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.001   0.564   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.716   0.976   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.430   0.564   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.713  -0.674   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.713  -1.499   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.428  -1.911   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.142  -1.499   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.142  -0.674   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.428  -0.261   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.857  -0.261   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.571  -0.674   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.286  -0.261   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       4.286   0.564   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.571   0.976   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.857   0.564   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.571   1.801   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       5.000  -0.674   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.288  -1.911   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1      -4.699  -1.199   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -5.000  -2.322   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -3.877  -2.623   0.000  1.00  0.00           F  
HETATM   31  C   UNL     1      -0.716   1.801   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1       0.106   1.801   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -0.716   2.623   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -1.538   1.801   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2   27    1    3                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   31   10   12                                            
CONECT   12   11    7                                                 
CONECT   13    9   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   13                                                 
CONECT   19   17   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   19                                                 
CONECT   25   23                                                      
CONECT   26   21                                                      
CONECT   27   28   29   30    2                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
CONECT   31   32   33   34   11                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D05CCY
  -OEChem-09301911102D

 43 46  0     0  0  0  0  0  0999 V2000
    7.1371    1.9301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2711    0.4301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5390    0.4301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730    2.9301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730   -1.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5092   -2.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9819   -2.9533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8368   -2.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5092   -1.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9819   -1.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8368   -1.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8876   -3.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730   -2.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730   -0.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5390    1.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4050    1.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730    1.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4050    2.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2711    1.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5390    3.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1016   -2.7009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8478   -3.5586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3444   -2.1622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1198   -1.6603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7212   -0.9701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6383   -1.3920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3885   -2.0875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6247   -0.9701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2262   -1.6603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5782   -3.9674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4127   -3.7597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3030   -3.3185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0430   -3.3185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5188   -2.6101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8068   -3.5901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4609    0.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0624   -0.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0760    0.1201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1360    1.6201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9420    3.2401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5390    4.0501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6740    1.6201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 43  1  0  0  0  0
  2 20  2  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 39  1  0  0  0  0
  4 18  2  0  0  0  0
  4 21  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 15  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 14  1  0  0  0  0
  7 23  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 40  1  0  0  0  0
 19 21  2  0  0  0  0
 19 41  1  0  0  0  0
 21 42  1  0  0  0  0
M  END

$$$$
D05CDF
  -OEChem-09301911112D

 76 80  0     0  0  0  0  0  0999 V2000
    3.8397    6.0855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3038    3.0855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5717   -0.9145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5717    5.0855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4672   -3.9090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4890   -4.1169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4378   -2.4145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3038   -0.9145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -3.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5717    6.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7057    4.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890   -3.2509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4378    4.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7057    6.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8397    5.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8900   -4.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0990   -2.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6582   -2.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4378    3.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5717   -2.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2103   -4.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3038    2.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1698    1.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1698    0.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3038    0.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4378    1.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4378   -1.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1614   -4.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0024   -5.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4378    0.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0637    2.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0637    0.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9045   -4.9382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7456   -6.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6966   -5.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9698    1.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9698    0.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4398   -6.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1823    5.9779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7838    6.6681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3072    4.1106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042    4.1106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0483    4.4779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6498    5.1681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042    7.0605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3072    7.0605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2291    5.1932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6276    4.5029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648   -2.4252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -2.9770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9352   -3.6584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2734   -4.0761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8252   -4.7575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5066   -4.2057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7156   -2.2166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1639   -1.5352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4824   -2.0870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5293   -1.9013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8272    3.6932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2257    3.0029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9747   -2.7245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9008    1.8955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2903   -3.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4128   -5.7479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9008    0.2755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8407   -1.2245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0566    2.7401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0566   -0.5691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4942   -4.7466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167   -6.8319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5055    1.9184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5055    0.2526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0249   -7.0463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9005   -7.0004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8546   -6.1248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 20  1  0  0  0  0
  2 23  1  0  0  0  0
  3 28  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 12  2  0  0  0  0
  7 21  1  0  0  0  0
  7 28  1  0  0  0  0
  7 62  1  0  0  0  0
  8 26  1  0  0  0  0
  8 28  1  0  0  0  0
  8 67  1  0  0  0  0
  9 12  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 14  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 11 15  1  0  0  0  0
 11 42  1  0  0  0  0
 11 43  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 46  1  0  0  0  0
 14 47  1  0  0  0  0
 15 48  1  0  0  0  0
 15 49  1  0  0  0  0
 16 50  1  0  0  0  0
 16 51  1  0  0  0  0
 16 52  1  0  0  0  0
 17 53  1  0  0  0  0
 17 54  1  0  0  0  0
 17 55  1  0  0  0  0
 18 56  1  0  0  0  0
 18 57  1  0  0  0  0
 18 58  1  0  0  0  0
 19 21  2  0  0  0  0
 19 59  1  0  0  0  0
 20 60  1  0  0  0  0
 20 61  1  0  0  0  0
 22 29  2  0  0  0  0
 22 30  1  0  0  0  0
 23 24  1  0  0  0  0
 23 27  2  0  0  0  0
 24 25  1  0  0  0  0
 24 32  2  0  0  0  0
 25 26  1  0  0  0  0
 25 33  2  0  0  0  0
 26 31  2  0  0  0  0
 27 31  1  0  0  0  0
 27 63  1  0  0  0  0
 29 34  1  0  0  0  0
 29 64  1  0  0  0  0
 30 35  2  0  0  0  0
 30 65  1  0  0  0  0
 31 66  1  0  0  0  0
 32 37  1  0  0  0  0
 32 68  1  0  0  0  0
 33 38  1  0  0  0  0
 33 69  1  0  0  0  0
 34 36  2  0  0  0  0
 34 70  1  0  0  0  0
 35 36  1  0  0  0  0
 35 71  1  0  0  0  0
 36 39  1  0  0  0  0
 37 38  2  0  0  0  0
 37 72  1  0  0  0  0
 38 73  1  0  0  0  0
 39 74  1  0  0  0  0
 39 75  1  0  0  0  0
 39 76  1  0  0  0  0
M  END

$$$$
D05CEL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.087   0.016   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.087  -0.809   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.373  -1.222   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.659  -0.809   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.659   0.016   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.373   0.428   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.373   1.254   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1      -2.802  -1.222   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       0.056  -1.222   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.770  -0.809   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.485  -1.222   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.199  -0.809   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.914  -1.222   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.628  -0.809   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.612  -1.706   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.357  -2.491   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.468  -2.491   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.723  -1.706   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.802   0.428   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.802   1.254   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.517   1.666   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.231   1.254   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.231   0.428   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.517   0.016   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.517   2.491   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.517   0.841   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.341   0.841   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.104   0.127   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.341  -1.222   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       3.517  -1.222   0.000  1.00  0.00           N  
CONECT    1    2    6   19                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    2                                                      
CONECT    9    4   10   15   18                                       
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   29                                                 
CONECT   15    9   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17    9                                                 
CONECT   19    1   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   19   26                                            
CONECT   25   21                                                      
CONECT   26   24   22   27   28                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   14   30                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D05CGR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.301  -0.998   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.301  -1.823   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.587  -2.235   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.872  -1.823   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.872  -0.998   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.587  -0.585   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.158  -2.235   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.443  -1.823   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.443  -0.998   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.158  -0.585   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.271  -0.585   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.271   0.240   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.443   0.652   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.158   0.240   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.056  -0.840   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.541  -0.173   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.056   0.495   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.366  -0.173   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.778  -0.887   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.603  -0.887   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.016  -0.173   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.603   0.542   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.778   0.542   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.016  -2.235   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.872  -0.173   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.271   1.065   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.311   1.279   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.118   1.451   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       2.373   2.235   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       0.759   1.892   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       1.853   0.708   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   24                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10   25                                       
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12   15                                            
CONECT   12   11   13   17   26                                       
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   12   27   31                                       
CONECT   18   16   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24    2                                                      
CONECT   25    5                                                      
CONECT   26   12                                                      
CONECT   27   17   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28                                                      
CONECT   30   27                                                      
CONECT   31   17                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END

$$$$

$$$$

$$$$
D05CJM
  -OEChem-09301911242D

 32 35  0     0  0  0  0  0  0999 V2000
    7.3244   -2.2744    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.2811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    0.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4144    2.2810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -0.7882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -0.2744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    1.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -0.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1923   -1.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0641   -0.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0564   -2.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282   -0.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9243   -1.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.8664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.3736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7909    1.3510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3891    0.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3891   -0.1683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7909   -0.8581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0665    0.3389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0540   -2.9010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4663   -0.4765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4601   -2.0964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
  3  8  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5 16  2  0  0  0  0
  6 10  1  0  0  0  0
  6 15  2  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 16  1  0  0  0  0
 10 12  2  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 29  1  0  0  0  0
 20 22  1  0  0  0  0
 20 30  1  0  0  0  0
 21 22  2  0  0  0  0
 21 31  1  0  0  0  0
 22 32  1  0  0  0  0
M  END

$$$$
D05CLL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215   0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.786  -1.444   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.072  -1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.072  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.357   0.206   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.357   1.031   0.000  1.00  0.00           O  
HETATM   13  N   UNL     1       0.357  -0.206   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.072   0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.501   0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.501   1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.786   1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.072   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.357   1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.215  -0.206   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       3.215  -1.031   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1       3.930   0.206   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       4.644  -0.206   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.359   0.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       6.073  -0.206   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       6.787   0.206   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       6.787   1.031   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       6.073   1.444   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.359   1.031   0.000  1.00  0.00           C  
HETATM   31 CL   UNL     1       7.502  -0.206   0.000  1.00  0.00          Cl  
HETATM   32  O   UNL     1      -0.357  -1.444   0.000  1.00  0.00           O  
HETATM   33  O   UNL     1      -4.644   0.206   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.644   1.031   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.359   1.444   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1      -6.073   1.031   0.000  1.00  0.00           N  
HETATM   37  C   UNL     1      -6.787   1.444   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.502   1.031   0.000  1.00  0.00           C  
HETATM   39  O   UNL     1      -7.502   0.206   0.000  1.00  0.00           O  
HETATM   40  C   UNL     1      -6.787  -0.206   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.073   0.206   0.000  1.00  0.00           C  
HETATM   42  O   UNL     1      -3.930  -1.031   0.000  1.00  0.00           O  
HETATM   43  C   UNL     1      -3.216  -1.444   0.000  1.00  0.00           C  
CONECT    1    2    6   33                                            
CONECT    2    1    3   42                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   32                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14   20                                            
CONECT   20   19                                                      
CONECT   21   16   22   23                                            
CONECT   22   21                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   27                                                      
CONECT   32    8                                                      
CONECT   33    1   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37   41                                            
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41                                                 
CONECT   41   40   36                                                 
CONECT   42    2   43                                                 
CONECT   43   42                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END

$$$$

$$$$

$$$$
D05CNJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.874  -0.479   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.462   0.235   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.322  -1.092   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.569  -0.757   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.655   0.064   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.236  -1.913   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.429  -2.084   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.017  -1.370   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.059   0.476   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.804   0.121   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       0.804  -0.704   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       1.387   0.704   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.184   0.490   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.768   1.074   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.554   1.871   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.757   2.084   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.174   1.501   0.000  1.00  0.00           C  
HETATM   18  S   UNL     1      -2.014   0.848   0.000  1.00  0.00           S  
HETATM   19  C   UNL     1      -2.768   0.513   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.681  -0.308   0.000  1.00  0.00           C  
CONECT    1    2    3   20                                            
CONECT    2    1    5   18                                            
CONECT    3    1    4    6                                            
CONECT    4    3    5    8                                            
CONECT    5    4    2    9                                            
CONECT    6    3    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    4                                                 
CONECT    9    5   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    2   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19    1                                                 
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D05COE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.276  -0.441   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.276  -1.266   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.562  -1.678   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.153  -1.266   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.153  -0.441   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.562  -0.028   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.867  -0.028   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.990  -0.028   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.990   0.797   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.705   1.209   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.420   0.797   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.420  -0.028   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.705  -0.441   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.582  -0.441   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       1.582  -1.263   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       2.296  -0.028   0.000  1.00  0.00           C  
HETATM   17  S   UNL     1       3.050  -0.364   0.000  1.00  0.00           S  
HETATM   18  C   UNL     1       3.602   0.249   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.189   0.964   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.382   0.792   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       4.427   0.249   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       4.840   0.964   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       4.427   1.678   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.602   1.678   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.033  -0.580   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1      -3.697  -1.334   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.877  -1.248   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.840  -0.409   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.563   0.795   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       0.262   0.795   0.000  1.00  0.00           N  
CONECT    1    2    6    8                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   29                                            
CONECT    7    5   14                                                 
CONECT    8    1    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   25                                            
CONECT   13   12    8   27                                            
CONECT   14    7   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20   24                                            
CONECT   20   19   16                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   12   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   13                                                 
CONECT   28   25                                                      
CONECT   29    6   30                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D05CWM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.074   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.074  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.360  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.645  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.645   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.360   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.931   0.825   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.931   1.650   0.000  1.00  0.00           O  
HETATM    9  N   UNL     1      -3.216   0.412   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.502   0.825   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.787   0.412   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1      -2.502   1.650   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.073   0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.358   0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.356   0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.356   1.650   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.358   2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.073   1.650   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.070   2.062   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.070   0.412   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.785   0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.499   0.412   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.785   1.650   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       2.499  -0.412   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.214  -0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.928  -0.412   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.928   0.412   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.214   0.825   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.643  -0.825   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.357  -0.412   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       6.072  -0.825   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       6.072  -1.650   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       6.786  -2.062   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       7.501  -1.650   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       7.501  -0.825   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       6.786  -0.413   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1      -6.789   0.825   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1      -7.501   0.414   0.000  1.00  0.00           C  
HETATM   39  O   UNL     1      -6.789  -0.825   0.000  1.00  0.00           O  
HETATM   40  C   UNL     1      -6.789  -1.647   0.000  1.00  0.00           C  
HETATM   41  O   UNL     1      -5.360  -1.650   0.000  1.00  0.00           O  
HETATM   42  C   UNL     1      -4.648  -2.061   0.000  1.00  0.00           C  
CONECT    1   37    2    6                                            
CONECT    2   39    1    3                                            
CONECT    3   41    2    4                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10   13                                                 
CONECT   12   10                                                      
CONECT   13   11   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16                                                      
CONECT   20   15   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   24   28                                            
CONECT   23   21                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   22                                                 
CONECT   29   26   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
CONECT   37   38    1                                                 
CONECT   38   37                                                      
CONECT   39   40    2                                                 
CONECT   40   39                                                      
CONECT   41   42    3                                                 
CONECT   42   41                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D05CXZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.414  -2.182   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.589  -2.182   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.176  -1.467   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.589  -0.753   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.414  -0.753   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.827  -1.467   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -4.827  -0.038   0.000  1.00  0.00           F  
HETATM    8  C   UNL     1      -2.369  -1.296   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.283  -0.475   0.000  1.00  0.00           N  
HETATM   10 SE   UNL     1      -3.037  -0.140   0.000  1.00  0.00          Se  
HETATM   11  O   UNL     1      -1.786  -1.879   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.700   0.108   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.986  -0.304   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.402   0.279   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.312  -0.133   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.896   0.450   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.610   0.037   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.194   0.621   0.000  1.00  0.00           N  
HETATM   19 SE   UNL     1       2.908   0.208   0.000  1.00  0.00          Se  
HETATM   20  C   UNL     1       3.521   0.760   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.186   1.514   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.365   1.428   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.782   2.011   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       4.342   0.674   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.827   1.342   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.491   2.095   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.671   2.182   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1       4.677  -0.080   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    3    9   11                                            
CONECT    9    8   10   12                                            
CONECT   10    9    4                                                 
CONECT   11    8                                                      
CONECT   12    9   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22   27                                            
CONECT   22   21   18   23                                            
CONECT   23   22                                                      
CONECT   24   20   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   21                                                 
CONECT   28   24                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D05DBG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.951   1.592   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.951   0.767   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.237   0.355   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.478   0.767   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.478   1.592   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.237   2.005   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.192   2.005   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       1.907   1.592   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1       1.192   2.830   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       2.621   2.005   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.336   1.592   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       4.050   2.005   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.665   0.355   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.419   0.690   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.971   0.077   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.559  -0.637   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1      -1.752  -0.466   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.894  -1.391   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.715  -1.477   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.050  -2.231   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.565  -2.898   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.745  -2.812   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.409  -2.058   0.000  1.00  0.00           C  
HETATM   24  F   UNL     1      -3.901  -3.652   0.000  1.00  0.00           F  
HETATM   25  C   UNL     1       2.621   2.830   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1       3.443   2.830   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1       2.621   3.652   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       1.799   2.830   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10   25    8   11                                            
CONECT   11   10   12                                                 
CONECT   12   11                                                      
CONECT   13    2   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   13                                                 
CONECT   18   16   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   21                                                      
CONECT   25   26   27   28   10                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D05DSL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.342   0.891   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.342   0.066   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.628  -0.347   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.913   0.066   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.913   0.891   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.628   1.303   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.129  -0.189   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.356   0.478   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.129   1.145   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.126   1.930   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.126  -0.974   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.933  -1.145   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       1.485  -0.532   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.188  -1.930   0.000  1.00  0.00           C  
HETATM   15  F   UNL     1      -1.628   2.128   0.000  1.00  0.00           F  
HETATM   16  H   UNL     1      -3.057   1.303   0.000  1.00  0.00           H  
HETATM   17  F   UNL     1      -3.057  -0.347   0.000  1.00  0.00           F  
HETATM   18  H   UNL     1      -1.628  -1.172   0.000  1.00  0.00           H  
HETATM   19  C   UNL     1       0.933   2.102   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.188   2.886   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.636   3.499   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.171   3.328   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.426   2.543   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.636  -2.543   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.891  -3.328   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.698  -3.499   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.250  -2.886   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.995  -2.102   0.000  1.00  0.00           C  
HETATM   29  H   UNL     1      -0.723   3.941   0.000  1.00  0.00           H  
HETATM   30  O   UNL     1       0.891   4.284   0.000  1.00  0.00           O  
HETATM   31  H   UNL     1       1.995   3.058   0.000  1.00  0.00           H  
HETATM   32  H   UNL     1       1.485   1.489   0.000  1.00  0.00           H  
HETATM   33  H   UNL     1       2.547  -1.489   0.000  1.00  0.00           H  
HETATM   34  H   UNL     1       3.057  -3.058   0.000  1.00  0.00           H  
HETATM   35  O   UNL     1       1.953  -4.284   0.000  1.00  0.00           O  
HETATM   36  H   UNL     1       0.339  -3.941   0.000  1.00  0.00           H  
CONECT    1    2    6   16                                            
CONECT    2    1    3   17                                            
CONECT    3    2    4   18                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   15                                            
CONECT    7    4    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9   19   23                                            
CONECT   11    7   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12                                                      
CONECT   14   12   24   28                                            
CONECT   15    6                                                      
CONECT   16    1                                                      
CONECT   17    2                                                      
CONECT   18    3                                                      
CONECT   19   10   20   32                                            
CONECT   20   19   21   31                                            
CONECT   21   20   22   30                                            
CONECT   22   21   23   29                                            
CONECT   23   22   10                                                 
CONECT   24   14   25                                                 
CONECT   25   24   26   36                                            
CONECT   26   25   27   35                                            
CONECT   27   26   28   34                                            
CONECT   28   27   14   33                                            
CONECT   29   22                                                      
CONECT   30   21                                                      
CONECT   31   20                                                      
CONECT   32   19                                                      
CONECT   33   28                                                      
CONECT   34   27                                                      
CONECT   35   26                                                      
CONECT   36   25                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D05EHX
  -OEChem-09301911182D

 49 51  0     0  0  0  0  0  0999 V2000
   10.6603   -3.8100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    5.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -5.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -5.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -5.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    0.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    1.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    2.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -0.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -1.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    3.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    3.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -6.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 14  1  0  0  0  0
  2 41  1  0  0  0  0
  3 13  2  0  0  0  0
  4 22  1  0  0  0  0
  4 24  1  0  0  0  0
  5 17  2  0  0  0  0
  6 25  1  0  0  0  0
  6 49  1  0  0  0  0
  7 25  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 17  1  0  0  0  0
  9 23  1  0  0  0  0
  9 42  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 14  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 16  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 37  1  0  0  0  0
 19 21  2  0  0  0  0
 19 38  1  0  0  0  0
 20 22  2  0  0  0  0
 20 39  1  0  0  0  0
 21 22  1  0  0  0  0
 21 40  1  0  0  0  0
 23 25  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 45  1  0  0  0  0
 28 30  1  0  0  0  0
 28 46  1  0  0  0  0
 29 30  2  0  0  0  0
 29 47  1  0  0  0  0
 30 48  1  0  0  0  0
M  END

$$$$
D05EMC
  -OEChem-09301911272D

 68 72  0     1  0  0  0  0  0999 V2000
    2.0000   -3.9330    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.9330    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.0670    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.9330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1603    0.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1603   -0.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0670    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    9.7942    0.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962    3.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962    3.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0263   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5263   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5670    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7950    2.9065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0879   -0.8714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2788    3.7210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8038    4.5436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5885    4.5436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1135    3.7210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5513   -1.6976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5012   -1.6976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1089   -0.6451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6339    0.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -0.0156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.6746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    2.5419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    2.5419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.6746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.0156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    2.1496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    1.4593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320   -0.3130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1120   -0.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320   -1.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -1.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3520   -0.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.3130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    0.2570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 35  1  0  0  0  0
  2 36  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  4 32  1  0  0  0  0
 18  5  1  1  0  0  0
  5 24  1  0  0  0  0
  8 31  2  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 22  1  0  0  0  0
 10 31  1  0  0  0  0
 10 58  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 17  1  0  0  0  0
 11 38  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 16  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 18 48  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 26  1  0  0  0  0
 20 27  1  0  0  0  0
 20 28  1  0  0  0  0
 21 23  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 22 23  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 23 55  1  0  0  0  0
 23 56  1  0  0  0  0
 24 30  2  0  0  0  0
 25 29  1  0  0  0  0
 25 57  1  0  0  0  0
 26 33  2  0  0  0  0
 26 34  1  0  0  0  0
 27 59  1  0  0  0  0
 27 60  1  0  0  0  0
 27 61  1  0  0  0  0
 28 62  1  0  0  0  0
 28 63  1  0  0  0  0
 28 64  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  2  0  0  0  0
 30 32  1  0  0  0  0
 30 65  1  0  0  0  0
 33 36  1  0  0  0  0
 33 66  1  0  0  0  0
 34 35  2  0  0  0  0
 34 67  1  0  0  0  0
 35 37  1  0  0  0  0
 36 37  2  0  0  0  0
 37 68  1  0  0  0  0
M  END

$$$$
D05EMI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.715   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.715   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.000  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.715   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.715   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.000   1.444   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.429  -0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.143   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.143   1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.429   1.444   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.000   2.269   0.000  1.00  0.00           N  
HETATM   12  F   UNL     1      -1.429   1.444   0.000  1.00  0.00           F  
HETATM   13  F   UNL     1       0.000  -1.031   0.000  1.00  0.00           F  
HETATM   14  N   UNL     1      -1.429  -0.206   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.858  -0.206   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.858  -1.031   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.143  -1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.429  -1.031   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       1.429   2.269   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.858   1.444   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       3.572   1.031   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       2.858   2.269   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       1.429  -1.031   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.572   0.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.143  -2.269   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.016  -1.746   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.841  -1.746   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3   14                                            
CONECT    3    2    4   13                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8   24                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   21                                            
CONECT   10    9    5   20                                            
CONECT   11    6                                                      
CONECT   12    1                                                      
CONECT   13    3                                                      
CONECT   14    2   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   25                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   26                                            
CONECT   19   18   14                                                 
CONECT   20   10                                                      
CONECT   21    9   22   23                                            
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24    7   27   28                                            
CONECT   25   16                                                      
CONECT   26   18                                                      
CONECT   27   24   28                                                 
CONECT   28   27   24                                                 
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D05EON
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.428   1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.428   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.714   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.001   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.001   1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.714   1.650   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.143   0.000   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.143  -0.825   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.428  -1.238   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.714  -0.825   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.715   1.650   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.430   1.238   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1       0.715   2.475   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       2.144   1.650   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.857   0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.428  -2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.001  -1.238   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.001  -2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.715  -0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.715  -2.475   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.714  -2.475   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.430  -1.238   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.430  -2.062   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.572   0.000   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.286   0.412   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.859   1.238   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.143  -2.475   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.572   1.650   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       3.572   2.475   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       4.286   1.238   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    2    8   15                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   16                                            
CONECT   10    9   17                                                 
CONECT   11    5   12   13                                            
CONECT   12   11   14                                                 
CONECT   13   11                                                      
CONECT   14   12   26                                                 
CONECT   15    7   24                                                 
CONECT   16    9   21   27                                            
CONECT   17   10   18   19                                            
CONECT   18   17   20   21                                            
CONECT   19   17   22                                                 
CONECT   20   18   23                                                 
CONECT   21   18   16                                                 
CONECT   22   19   23                                                 
CONECT   23   22   20                                                 
CONECT   24   15   25                                                 
CONECT   25   24                                                      
CONECT   26   14   28                                                 
CONECT   27   16                                                      
CONECT   28   26   29   30                                            
CONECT   29   28                                                      
CONECT   30   28                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D05ETL
  -OEChem-09301911212D

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 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 27 33  1  0  0  0  0
 28 58  1  0  0  0  0
 29 59  1  0  0  0  0
 30 31  2  0  0  0  0
 31 60  1  0  0  0  0
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 33 36  2  0  0  0  0
 33 44  1  0  0  0  0
 34 40  2  0  0  0  0
 34 64  1  0  0  0  0
 35 43  1  0  0  0  0
 35 62  1  0  0  0  0
 35 63  1  0  0  0  0
 36 41  1  0  0  0  0
 37 65  1  0  0  0  0
 37 66  1  0  0  0  0
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 38 68  1  0  0  0  0
 38 69  1  0  0  0  0
 38 70  1  0  0  0  0
 39 71  1  0  0  0  0
 39 72  1  0  0  0  0
 39 73  1  0  0  0  0
 40 74  1  0  0  0  0
 41 45  2  0  0  0  0
 41 46  1  0  0  0  0
 42 75  1  0  0  0  0
 42 76  1  0  0  0  0
 42 77  1  0  0  0  0
 43 78  1  0  0  0  0
 43 79  1  0  0  0  0
 43 80  1  0  0  0  0
 45 47  1  0  0  0  0
 45 81  1  0  0  0  0
 46 48  2  0  0  0  0
 46 82  1  0  0  0  0
 47 49  2  0  0  0  0
 47 84  1  0  0  0  0
 48 49  1  0  0  0  0
 48 85  1  0  0  0  0
 50 86  1  0  0  0  0
 50 87  1  0  0  0  0
 50 88  1  0  0  0  0
M  END

$$$$
D05FDR
  -OEChem-09301911242D

 41 43  0     0  0  0  0  0  0999 V2000
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    5.1350    0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4931    0.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991   -0.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    0.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1312   -0.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9953   -1.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1350    0.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8632   -0.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0030    0.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8671    0.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4859    1.4996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9349    0.6779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2700    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    1.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    1.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9929   -1.8058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5993    0.6296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3989   -1.0012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0054    1.4342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4052    0.6188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 19  1  0  0  0  0
  2 12  1  0  0  0  0
  2 33  1  0  0  0  0
  3 18  2  0  0  0  0
  4 26  1  0  0  0  0
  4 41  1  0  0  0  0
  5 26  2  0  0  0  0
  6 11  1  0  0  0  0
  6 13  2  0  0  0  0
  7 10  1  0  0  0  0
  7 15  2  0  0  0  0
  8 18  1  0  0  0  0
  8 20  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 14 16  2  0  0  0  0
 14 27  1  0  0  0  0
 15 16  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 26  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 23  1  0  0  0  0
 21 36  1  0  0  0  0
 22 24  2  0  0  0  0
 22 37  1  0  0  0  0
 23 25  2  0  0  0  0
 23 38  1  0  0  0  0
 24 25  1  0  0  0  0
 24 39  1  0  0  0  0
 25 40  1  0  0  0  0
M  END

$$$$
D05FMP
  -OEChem-09301911162D

 40 42  0     1  0  0  0  0  0999 V2000
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    6.1622   -3.5958    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3092    0.7521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7111   -1.7479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -1.7177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021   -2.3357    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2111   -3.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2111   -3.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202   -2.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7111   -0.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5772   -0.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -2.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2032    4.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8051   -1.7233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
  2 10  1  0  0  0  0
  3 12  2  0  0  0  0
  4 16  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 16  1  0  0  0  0
  6 33  1  0  0  0  0
  7 14  3  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  1  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 23  2  0  0  0  0
 19 22  1  0  0  0  0
 19 34  1  0  0  0  0
 20 24  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  2  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
 23 25  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  2  0  0  0  0
 24 39  1  0  0  0  0
 25 40  1  0  0  0  0
M  END

$$$$
D05FQX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.405   1.103   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.405   0.278   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.691  -0.135   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.976   0.278   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.976   1.103   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.691   1.515   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -6.120  -0.135   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -6.120  -0.960   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.262   1.515   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.547   1.103   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.262  -0.135   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.547   0.278   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.833   1.515   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.119   1.103   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1      -1.833   2.340   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1      -3.262  -0.960   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.845  -1.543   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.471  -2.278   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.656  -2.149   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.527  -1.334   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.730  -1.121   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.147  -1.704   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.412  -1.330   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.541  -0.515   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.355  -0.386   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       0.385  -1.543   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       0.969  -0.960   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       1.766  -1.173   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.349  -0.590   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.146  -0.804   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.729  -0.220   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.526  -0.434   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.740  -1.231   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       5.537  -1.444   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       6.120  -0.861   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       5.906  -0.064   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       5.109   0.150   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1       0.599  -2.340   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   11                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7                                                      
CONECT    9    5   10                                                 
CONECT   10    9   13                                                 
CONECT   11    4   12   16                                            
CONECT   12   11                                                      
CONECT   13   10   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   11   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   16   21                                            
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
CONECT   26   23   27   38                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   37                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   32                                                 
CONECT   38   26                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D05FVW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.644   0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.644   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.930  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.215   0.000   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.215   0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.930   1.238   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.501   1.238   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.501  -0.412   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.501  -1.238   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1      -1.786   0.000   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1      -1.072  -0.412   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.357   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.357  -0.412   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.357   0.825   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       0.357  -1.238   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.072  -1.650   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.786  -1.238   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.786  -0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.072   0.000   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1      -0.357  -1.650   0.000  1.00  0.00           F  
HETATM   21  S   UNL     1       2.501   0.000   0.000  1.00  0.00           S  
HETATM   22  N   UNL     1       3.215   0.412   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1       2.913  -0.714   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       2.088   0.714   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       3.930   0.000   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.644   0.412   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       4.644   1.238   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       3.930   1.650   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.215   1.238   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    4    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   15   19                                            
CONECT   14   12                                                      
CONECT   15   13   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   13                                                 
CONECT   20   15                                                      
CONECT   21   18   22   23   24                                       
CONECT   22   21   25   29                                            
CONECT   23   21                                                      
CONECT   24   21                                                      
CONECT   25   22   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   22                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D05GAP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  O   UNL     1      -4.287  -0.206   0.000  1.00  0.00           O  
HETATM    2  N   UNL     1      -3.572  -0.619   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.858  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143  -1.444   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.429  -1.856   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.714  -1.444   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.714  -0.619   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.429  -0.206   0.000  1.00  0.00           N  
HETATM   10  S   UNL     1      -1.429   0.619   0.000  1.00  0.00           S  
HETATM   11  O   UNL     1      -2.858   0.619   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.429  -2.681   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.714   1.031   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.226   0.832   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1      -1.429   1.444   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1      -0.714  -3.094   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1      -2.143  -3.094   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       0.000  -2.681   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.714  -3.094   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       1.429  -2.681   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.143  -3.094   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.000   0.619   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.714   1.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.714   1.856   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.000   2.269   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.714   1.856   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       0.000   3.094   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       1.429   0.619   0.000  1.00  0.00           F  
HETATM   29  O   UNL     1       1.429   2.269   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       2.143   1.856   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.143   1.031   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.858   0.619   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.572   1.031   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.572   1.856   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.858   2.269   0.000  1.00  0.00           C  
HETATM   36 CL   UNL     1       4.287   0.619   0.000  1.00  0.00          Cl  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4   11                                            
CONECT    4    3    9    5                                            
CONECT    5    6    4                                                 
CONECT    6    5    7   12                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    4   10                                            
CONECT   10    9   13   14   15                                       
CONECT   11    3                                                      
CONECT   12    6   16   17                                            
CONECT   13   10   22   26                                            
CONECT   14   10                                                      
CONECT   15   10                                                      
CONECT   16   12   18                                                 
CONECT   17   12                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20                                                      
CONECT   22   13   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25   29                                            
CONECT   25   24   26   27                                            
CONECT   26   25   13                                                 
CONECT   27   25                                                      
CONECT   28   23                                                      
CONECT   29   24   30                                                 
CONECT   30   29   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   36                                            
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
CONECT   36   33                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D05GDS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.824   2.858   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.824   2.033   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.110   1.620   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.395   2.033   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.395   2.858   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.110   3.270   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.611   1.778   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.126   2.445   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.611   3.113   0.000  1.00  0.00           C  
HETATM   10  S   UNL     1      -0.301   2.445   0.000  1.00  0.00           S  
HETATM   11  N   UNL     1       0.112   1.731   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1      -0.301   3.270   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1       0.496   2.659   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.937   1.731   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.349   1.016   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.937   0.302   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.349  -0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.174  -0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.587   0.302   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.174   1.016   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.587  -1.127   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.174  -1.841   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.587  -2.556   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.412  -2.556   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.824  -1.841   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.412  -1.127   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       3.824  -3.270   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11   12   13                                       
CONECT   11   10   14                                                 
CONECT   12   10                                                      
CONECT   13   10                                                      
CONECT   14   11   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   24                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D05GEL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.247   0.371   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.818  -0.454   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.818   0.371   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.532   0.784   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.033  -0.709   0.000  1.00  0.00           N  
HETATM    6  N   UNL     1      -0.548  -0.041   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.033   0.626   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.778   1.411   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.029   1.582   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.581   0.969   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.388   1.141   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.643   1.925   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.091   2.539   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.284   2.367   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.532   1.609   0.000  1.00  0.00           O  
HETATM   16  S   UNL     1       2.450   2.097   0.000  1.00  0.00           S  
HETATM   17  O   UNL     1       2.663   1.300   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       3.247   2.311   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       2.236   2.894   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.778  -1.493   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.019  -1.707   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.733  -1.294   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       1.448  -0.882   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.346  -2.092   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.137  -2.326   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.539  -2.894   0.000  1.00  0.00           C  
CONECT    1    4                                                      
CONECT    2    3    5                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    1   15                                            
CONECT    5    2    6   20                                            
CONECT    6    5    7                                                 
CONECT    7    6    3    8                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    4                                                      
CONECT   16   12   17   18   19                                       
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19   16                                                      
CONECT   20    5   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22                                                      
CONECT   24   20   25   26                                            
CONECT   25   24   26                                                 
CONECT   26   25   24                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D05GJL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.854   1.038   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.854   0.213   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.139  -0.200   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.425   0.213   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.425   1.038   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.139   1.450   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.780  -0.302   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.024  -0.118   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.382   0.625   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.024   1.369   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.780   1.552   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.448   2.077   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.095   2.698   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.854   2.374   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       1.207   0.625   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.620   1.340   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.207   2.054   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       0.539  -0.763   0.000  1.00  0.00           C  
HETATM   19  H   UNL     1      -2.139  -1.025   0.000  1.00  0.00           H  
HETATM   20  C   UNL     1       0.237  -1.531   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.752  -2.176   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.568  -2.053   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.869  -1.285   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.355  -0.640   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.082  -2.698   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       2.441   1.343   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.854   2.057   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.854   0.628   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   19                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   18                                            
CONECT    9    8   10   15                                            
CONECT   10    9   11   12                                            
CONECT   11   10    5   14                                            
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   11                                                 
CONECT   15    9   16                                                 
CONECT   16   15   17   26                                            
CONECT   17   16                                                      
CONECT   18    8   20   24                                            
CONECT   19    3                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
CONECT   25   22                                                      
CONECT   26   16   27   28                                            
CONECT   27   26                                                      
CONECT   28   26                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D05GPF
  -OEChem-09301911212D

 57 60  0     0  0  0  0  0  0999 V2000
   16.5297   -2.0670    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1995   -4.5670    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.5656   -4.9330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.5656   -3.2010    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2522   -0.3056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0656   -1.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0547    1.7306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0328    1.9385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5547    2.5966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7976   -1.0670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2238    3.3398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9316    0.4330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8694    4.9330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6480    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2467   -0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1374    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7976   -2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9316   -3.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0034    3.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9316   -2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6636   -2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7976   -4.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0656    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6636   -3.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8694    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0656   -4.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9316   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7354    3.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0034    4.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1995    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0656    1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3335    1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3335    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1995    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7354    4.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6015    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4675    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6047    0.1985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2495    0.6670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6967    1.3310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0518    0.8625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2034   -0.8195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8483   -0.3510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3947   -2.2570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7976   -4.6870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3346   -0.7570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2006   -3.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8694    2.3130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4685    0.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4665    4.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1995   -0.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6025    2.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7966    0.6230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1995    3.0530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2724    4.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 27  1  0  0  0  0
  3 27  1  0  0  0  0
  4 27  1  0  0  0  0
  5 16  1  0  0  0  0
  5 56  1  0  0  0  0
  6 28  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8 17  2  0  0  0  0
  9 11  2  0  0  0  0
 10 18  1  0  0  0  0
 10 28  1  0  0  0  0
 10 47  1  0  0  0  0
 11 17  1  0  0  0  0
 12 24  1  0  0  0  0
 12 28  1  0  0  0  0
 12 50  1  0  0  0  0
 13 30  1  0  0  0  0
 13 36  2  0  0  0  0
 14 15  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 21  2  0  0  0  0
 19 23  1  0  0  0  0
 19 27  1  0  0  0  0
 20 26  1  0  0  0  0
 20 30  2  0  0  0  0
 21 45  1  0  0  0  0
 22 25  1  0  0  0  0
 23 25  2  0  0  0  0
 23 46  1  0  0  0  0
 24 31  2  0  0  0  0
 24 32  1  0  0  0  0
 25 48  1  0  0  0  0
 26 29  2  0  0  0  0
 26 49  1  0  0  0  0
 29 36  1  0  0  0  0
 29 37  1  0  0  0  0
 30 51  1  0  0  0  0
 31 34  1  0  0  0  0
 31 52  1  0  0  0  0
 32 35  2  0  0  0  0
 32 53  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 33 38  1  0  0  0  0
 34 54  1  0  0  0  0
 35 55  1  0  0  0  0
 36 57  1  0  0  0  0
 37 38  3  0  0  0  0
M  END

$$$$
D05GPL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.059  -0.494   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.059  -1.319   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.656  -1.731   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.370  -1.319   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.370  -0.494   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.656  -0.081   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.843  -0.239   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.328  -0.906   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.843  -1.574   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.098   0.546   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.546   1.159   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.261   0.987   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.813   1.600   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.558   2.385   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.249   2.556   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.801   1.943   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.085  -0.081   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.838  -0.417   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       3.391   0.196   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       2.978   0.911   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.171   0.739   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.010  -1.224   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.558   1.291   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.153  -0.906   0.000  1.00  0.00           O  
HETATM   25  N   UNL     1       0.656  -2.556   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.566  -0.192   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.391  -0.192   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   25                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   17                                            
CONECT    6    5    1                                                 
CONECT    7    1    8   10                                            
CONECT    8    7    9   24                                            
CONECT    9    8    2                                                 
CONECT   10    7   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    5   18   21                                            
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   17   23                                            
CONECT   22   18                                                      
CONECT   23   21                                                      
CONECT   24    8   26                                                 
CONECT   25    3                                                      
CONECT   26   24   27                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D05GVV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.597  -0.619   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.597  -1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.882  -1.856   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.168  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.168  -0.619   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.882  -0.206   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.381  -0.364   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.866  -1.031   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.381  -1.699   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -5.691  -1.031   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.453  -0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.739   0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.024   0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.690   0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.405   0.619   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.405   1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.690   1.856   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.024   1.444   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.119   1.856   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.833   1.444   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.548   1.856   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1       2.833   0.619   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       4.262   1.444   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.262   0.619   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.977   0.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       5.691   0.619   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       5.691   1.444   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.977   1.856   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.977  -0.619   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8                                                      
CONECT   11    5   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   23                                                 
CONECT   22   20                                                      
CONECT   23   21   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   25                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D05GWJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.170  -0.742   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.170  -1.567   0.000  1.00  0.00           C  
HETATM    3  O   UNL     1       0.954  -1.822   0.000  1.00  0.00           O  
HETATM    4  C   UNL     1       1.439  -1.155   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.954  -0.487   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.439  -2.490   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.224  -2.235   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.224  -1.409   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       1.209   0.297   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       2.636  -0.695   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       3.021  -1.196   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       1.184  -3.274   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.655  -0.742   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.041   0.073   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.068  -1.456   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.893  -1.456   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.655  -2.171   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.305  -0.742   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.893  -0.028   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.893   0.797   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.178   1.210   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.178   2.035   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.464   0.797   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.889  -0.159   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.021  -1.567   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.021  -0.742   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.306  -1.980   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.895   2.449   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.895   3.274   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1      -2.610   2.037   0.000  1.00  0.00           O  
CONECT    1    2    5   13   14                                       
CONECT    2    1    3                                                 
CONECT    3    2    6                                                 
CONECT    4    5    8                                                 
CONECT    5    4    1    9                                            
CONECT    6    3    7   12                                            
CONECT    7    6    8                                                 
CONECT    8    7    4   10   11                                       
CONECT    9    5                                                      
CONECT   10    8                                                      
CONECT   11    8                                                      
CONECT   12    6                                                      
CONECT   13    1   15                                                 
CONECT   14    1                                                      
CONECT   15   13   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   19   24   25                                       
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   28                                                 
CONECT   23   21                                                      
CONECT   24   18                                                      
CONECT   25   18   26   27                                            
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   22   29   30                                            
CONECT   29   28                                                      
CONECT   30   28                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END

$$$$

$$$$

$$$$
D05HBS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858  -0.410   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.143  -0.823   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.429  -0.410   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715  -0.823   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.000  -0.410   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.715  -0.823   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.429  -0.410   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.143  -0.823   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.143  -1.648   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.715  -1.648   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1       2.143  -1.648   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       2.858  -0.410   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       2.858   0.412   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       0.000   0.415   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1       1.424   0.415   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       0.712   0.826   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.712   1.648   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5   14    4    6                                            
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8   12    7   11                                            
CONECT    9    2                                                      
CONECT   10    4                                                      
CONECT   11    8                                                      
CONECT   12   13    8                                                 
CONECT   13   12                                                      
CONECT   14   16    5                                                 
CONECT   15   16                                                      
CONECT   16   17   15   14                                            
CONECT   17   16                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D05HBW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287  -0.040   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.572   0.373   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.858  -0.040   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143   0.373   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.429  -0.040   0.000  1.00  0.00           N  
HETATM    6  O   UNL     1      -2.143   1.198   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.858  -0.865   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.715   0.373   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.715   1.198   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.000  -0.040   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       0.000  -0.865   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1       0.715   0.373   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.429  -0.040   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.143   0.373   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       2.143   1.198   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.429   1.610   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.715   1.198   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.756   1.750   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.421   2.504   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.601   2.417   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.000   1.610   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.000   2.435   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.715   2.848   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.429   2.435   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.429   1.610   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.429  -0.865   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       0.715  -1.277   0.000  1.00  0.00           O  
HETATM   28  N   UNL     1       2.143  -1.277   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       2.143  -2.102   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.429  -2.515   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.429  -3.340   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       2.143  -3.752   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       2.858  -3.340   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.858  -2.515   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.572  -3.752   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.287  -3.340   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.287  -2.515   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       3.572  -2.102   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       3.577   1.664   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       4.062   2.331   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       3.726   3.085   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       2.906   3.171   0.000  1.00  0.00           C  
HETATM   43 CL   UNL     1       4.211   3.752   0.000  1.00  0.00          Cl  
HETATM   44 CL   UNL     1       3.913   0.910   0.000  1.00  0.00          Cl  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    6                                            
CONECT    5    4    8                                                 
CONECT    6    4                                                      
CONECT    7    3                                                      
CONECT    8    5    9   10                                            
CONECT    9    8   21   25                                            
CONECT   10    8   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   13   17                                            
CONECT   13   12   14   26                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17   20                                            
CONECT   17   16   12                                                 
CONECT   18   15   19   39                                            
CONECT   19   18   20   42                                            
CONECT   20   19   16                                                 
CONECT   21    9   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24    9                                                 
CONECT   26   13   27   28                                            
CONECT   27   26                                                      
CONECT   28   26   29                                                 
CONECT   29   28   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   35                                            
CONECT   34   33   29   38                                            
CONECT   35   33   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   34                                                 
CONECT   39   18   40   44                                            
CONECT   40   39   41                                                 
CONECT   41   40   42   43                                            
CONECT   42   41   19                                                 
CONECT   43   41                                                      
CONECT   44   39                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
M  END

$$$$
D05HDJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.819  -1.995   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.821  -2.820   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       3.537  -3.231   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       4.250  -2.817   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       4.248  -1.992   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.532  -1.581   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.103  -1.585   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.689  -0.871   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1       2.099  -0.156   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.546   0.456   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.793   0.118   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.881  -0.702   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.038   0.452   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.628  -0.035   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.539  -0.855   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.215  -1.189   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       0.038   1.277   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.676   1.689   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.676   2.514   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.391   2.927   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.105   2.514   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.105   1.689   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.391   1.277   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.820   2.927   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.535   2.517   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1      -3.123   1.802   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1      -4.250   2.104   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -3.948   3.231   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11    8   16                                            
CONECT   13   11   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   12                                                 
CONECT   17   13   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D05HHG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429   0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.429   1.031   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.715   1.444   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.000   1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.715   1.444   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.429   1.031   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       2.143   1.444   0.000  1.00  0.00           O  
HETATM   13 CL   UNL     1       0.000   0.206   0.000  1.00  0.00          Cl  
HETATM   14  O   UNL     1      -0.715   2.269   0.000  1.00  0.00           O  
HETATM   15 CL   UNL     1       0.715   2.269   0.000  1.00  0.00          Cl  
HETATM   16  O   UNL     1       1.429   0.206   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.429  -2.269   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   17                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   14                                            
CONECT    9    8   10   13                                            
CONECT   10    9   11   15                                            
CONECT   11   10   12   16                                            
CONECT   12   11                                                      
CONECT   13    9                                                      
CONECT   14    8                                                      
CONECT   15   10                                                      
CONECT   16   11                                                      
CONECT   17    3                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D05HJF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.050   0.339   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.050  -0.486   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.765  -0.898   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.479  -0.486   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.479   0.339   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.765   0.752   0.000  1.00  0.00           C  
HETATM    7  B   UNL     1       3.194   0.752   0.000  1.00  0.00           B  
HETATM    8  O   UNL     1       3.194   1.577   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1       3.908   0.339   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       0.254   0.553   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.196  -0.139   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.323  -0.780   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       0.110  -1.577   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.021  -0.139   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.433  -0.853   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.258  -0.853   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.671  -0.139   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.496  -0.139   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.908  -0.853   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.496  -1.568   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.671  -1.568   0.000  1.00  0.00           C  
CONECT    1    2    6   10                                            
CONECT    2    1    3   12                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    1   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11    2   13                                            
CONECT   13   12                                                      
CONECT   14   11   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D05HLQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.730   4.335   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.730   3.510   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.016   3.098   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.301   3.510   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.301   4.335   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.016   4.748   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.587   3.098   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.872   3.510   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.872   4.335   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.587   4.748   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.158   4.748   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.587   2.273   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.872   1.861   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.587   1.448   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.587   0.623   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.872   0.210   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.158   0.623   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.158   1.448   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.301   1.861   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.016   1.448   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.016   0.623   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.301   0.210   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.158   2.273   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.443   0.210   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.443  -0.615   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.158  -1.027   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.158  -1.852   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -0.443  -2.264   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.271  -1.852   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.271  -1.027   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.109  -1.023   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       0.986  -0.615   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -1.872  -2.264   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1      -0.272  -3.071   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       0.549  -3.158   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1       0.884  -2.404   0.000  1.00  0.00           N  
HETATM   37  C   UNL     1       1.691  -2.232   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       2.275  -2.816   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       2.858  -3.399   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       3.441  -3.983   0.000  1.00  0.00           C  
HETATM   41  N   UNL     1       0.961  -3.872   0.000  1.00  0.00           N  
HETATM   42  C   UNL     1       0.549  -4.587   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       0.961  -5.301   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       1.786  -5.301   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1       2.199  -4.587   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1       1.786  -3.872   0.000  1.00  0.00           C  
HETATM   47  N   UNL     1       0.549  -6.016   0.000  1.00  0.00           N  
HETATM   48  N   UNL     1      -0.443   4.335   0.000  1.00  0.00           N  
HETATM   49  C   UNL     1      -0.443   3.510   0.000  1.00  0.00           C  
HETATM   50  N   UNL     1       0.271   3.098   0.000  1.00  0.00           N  
HETATM   51  C   UNL     1       0.986   3.510   0.000  1.00  0.00           C  
HETATM   52  C   UNL     1       0.986   4.335   0.000  1.00  0.00           C  
HETATM   53  C   UNL     1       0.271   4.748   0.000  1.00  0.00           C  
HETATM   54  O   UNL     1       0.271   5.573   0.000  1.00  0.00           O  
HETATM   55  O   UNL     1      -1.158   3.098   0.000  1.00  0.00           O  
HETATM   56  C   UNL     1       0.271   2.273   0.000  1.00  0.00           C  
HETATM   57  N   UNL     1       1.770   3.256   0.000  1.00  0.00           N  
HETATM   58  C   UNL     1       2.255   3.923   0.000  1.00  0.00           C  
HETATM   59  N   UNL     1       1.770   4.590   0.000  1.00  0.00           N  
HETATM   60  C   UNL     1       2.025   5.375   0.000  1.00  0.00           C  
HETATM   61  C   UNL     1       2.822   5.589   0.000  1.00  0.00           C  
HETATM   62  C   UNL     1       3.619   5.802   0.000  1.00  0.00           C  
HETATM   63  C   UNL     1       4.416   6.016   0.000  1.00  0.00           C  
HETATM   64  N   UNL     1       3.080   3.923   0.000  1.00  0.00           N  
HETATM   65  C   UNL     1       3.493   3.208   0.000  1.00  0.00           C  
HETATM   66  C   UNL     1       4.318   3.208   0.000  1.00  0.00           C  
HETATM   67  C   UNL     1       4.730   3.923   0.000  1.00  0.00           C  
HETATM   68  C   UNL     1       4.318   4.638   0.000  1.00  0.00           C  
HETATM   69  C   UNL     1       3.493   4.638   0.000  1.00  0.00           C  
HETATM   70  N   UNL     1       4.730   2.494   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   48                                                 
CONECT   12    7   13                                                 
CONECT   13   12   14   18   23                                       
CONECT   14   13   15   19                                            
CONECT   15   14   16   22                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   24                                            
CONECT   18   17   13                                                 
CONECT   19   14   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   15                                                 
CONECT   23   13                                                      
CONECT   24   17   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27   31                                            
CONECT   27   26   28   33                                            
CONECT   28   27   29   34                                            
CONECT   29   28   30   36                                            
CONECT   30   29   25   32                                            
CONECT   31   26                                                      
CONECT   32   30                                                      
CONECT   33   27                                                      
CONECT   34   28   35                                                 
CONECT   35   34   36   41                                            
CONECT   36   35   29   37                                            
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39                                                      
CONECT   41   35   42   46                                            
CONECT   42   41   43                                                 
CONECT   43   42   44   47                                            
CONECT   44   43   45                                                 
CONECT   45   44   46                                                 
CONECT   46   45   41                                                 
CONECT   47   43                                                      
CONECT   48   11   49   53                                            
CONECT   49   48   50   55                                            
CONECT   50   49   51   56                                            
CONECT   51   50   52   57                                            
CONECT   52   51   53   59                                            
CONECT   53   52   48   54                                            
CONECT   54   53                                                      
CONECT   55   49                                                      
CONECT   56   50                                                      
CONECT   57   51   58                                                 
CONECT   58   57   59   64                                            
CONECT   59   58   52   60                                            
CONECT   60   59   61                                                 
CONECT   61   60   62                                                 
CONECT   62   61   63                                                 
CONECT   63   62                                                      
CONECT   64   58   65   69                                            
CONECT   65   64   66                                                 
CONECT   66   65   67   70                                            
CONECT   67   66   68                                                 
CONECT   68   67   69                                                 
CONECT   69   68   64                                                 
CONECT   70   66                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
M  END

$$$$
D05HMS
  -OEChem-09301911192D

 58 61  0     0  0  0  0  0  0999 V2000
    7.1962    0.7071    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.2071    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7071    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.2071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    5.2071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301    5.2071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.2071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.2071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3052   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8910   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -6.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -5.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    6.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1709   -1.5556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7436   -2.9384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7436   -2.0616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4526   -2.0616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4526   -2.9384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.8271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -0.2103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.9006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -6.0171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -6.0171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.5871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.3971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -6.8271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.8271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -4.3971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -6.0171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -6.0171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.8971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.5171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.8971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    6.2071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    6.8271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    6.2071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  2  9  1  0  0  0  0
  2 34  1  0  0  0  0
  3 31  1  0  0  0  0
  4 14  1  0  0  0  0
  4 21  1  0  0  0  0
  5 33  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 33  1  0  0  0  0
  9 55  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 18  2  0  0  0  0
 16 20  1  0  0  0  0
 17 22  1  0  0  0  0
 17 43  1  0  0  0  0
 18 23  1  0  0  0  0
 18 44  1  0  0  0  0
 19 24  2  0  0  0  0
 19 45  1  0  0  0  0
 20 25  2  0  0  0  0
 20 46  1  0  0  0  0
 21 28  2  0  0  0  0
 21 29  1  0  0  0  0
 22 26  2  0  0  0  0
 22 47  1  0  0  0  0
 23 27  2  0  0  0  0
 23 48  1  0  0  0  0
 24 26  1  0  0  0  0
 24 49  1  0  0  0  0
 25 27  1  0  0  0  0
 25 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 29 53  1  0  0  0  0
 30 32  2  0  0  0  0
 30 54  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 34 56  1  0  0  0  0
 34 57  1  0  0  0  0
 34 58  1  0  0  0  0
M  END

$$$$
D05HYJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.103  -1.959   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.103  -2.784   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.389  -3.197   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.674  -2.784   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.674  -1.959   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.389  -1.547   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.890  -3.039   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -0.405  -2.372   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.890  -1.704   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.635  -3.824   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.389  -0.722   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.218  -4.407   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.162  -4.037   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.635  -0.920   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.172  -0.749   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.427   0.036   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.125   0.649   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.932   0.477   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.187  -0.307   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.130   1.433   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.454   2.017   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.240   2.813   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1      -1.250   1.803   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       0.557   3.027   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.140   2.443   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.937   2.657   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.150   3.454   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.567   4.037   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.770   3.823   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1       0.187   4.407   0.000  1.00  0.00           F  
HETATM   31  C   UNL     1       2.520   2.074   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1       1.937   1.490   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       3.103   1.490   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       3.103   2.657   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   14                                            
CONECT   10    7   12   13                                            
CONECT   11    6                                                      
CONECT   12   10                                                      
CONECT   13   10                                                      
CONECT   14    9   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   24                                                 
CONECT   23   21                                                      
CONECT   24   22   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   31   25   27                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24   30                                            
CONECT   30   29                                                      
CONECT   31   32   33   34   26                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D05IZN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.002  -2.491   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.415  -3.205   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.240  -3.205   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       1.652  -2.491   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       1.240  -1.777   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.415  -1.777   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.495  -0.992   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.827  -0.507   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.160  -0.992   0.000  1.00  0.00           C  
HETATM   10  S   UNL     1      -0.637  -0.778   0.000  1.00  0.00           S  
HETATM   11  C   UNL     1      -1.221  -1.362   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.017  -1.148   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.601  -1.732   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.387  -2.528   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.590  -2.742   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.007  -2.159   0.000  1.00  0.00           N  
HETATM   17 CL   UNL     1      -2.971  -3.112   0.000  1.00  0.00          Cl  
HETATM   18  C   UNL     1       0.827   0.318   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.542   0.730   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.542   1.555   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.827   1.968   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.113   1.555   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.113   0.730   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       0.827   2.793   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       1.542   3.205   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.256   1.968   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       2.971   1.555   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1    9                                            
CONECT    7    5    8                                                 
CONECT    8    7    9   18                                            
CONECT    9    8    6   10                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   14                                                      
CONECT   18    8   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   26                                            
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   21   25                                                 
CONECT   25   24                                                      
CONECT   26   20   27                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D05KHT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       1.214   2.080   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       1.214   1.255   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.999   1.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.484   1.667   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.999   2.335   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.500   2.493   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.215   2.080   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.215   1.255   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.500   0.843   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -0.929   0.843   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.143   1.639   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.966   1.683   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.262   0.912   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.621   0.393   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.664  -0.431   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.399  -0.805   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.442  -1.629   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.750  -2.078   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.015  -1.704   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.972  -0.880   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.237  -0.505   0.000  1.00  0.00           O  
HETATM   22  F   UNL     1      -3.178  -2.004   0.000  1.00  0.00           F  
HETATM   23  C   UNL     1       2.254   0.215   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.560  -0.719   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.143  -0.136   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       1.940  -0.349   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.353  -1.064   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       3.178  -1.064   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       1.940  -1.778   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       2.353  -2.493   0.000  1.00  0.00           O  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   23                                            
CONECT    4    3    5                                                 
CONECT    5    4    1                                                 
CONECT    6    1    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10   15                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20   24                                                 
CONECT   22   17                                                      
CONECT   23    3   26                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   23   27                                            
CONECT   27   26   28   29                                            
CONECT   28   27                                                      
CONECT   29   27   30                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D05KKZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.720   2.475   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.720   1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.006   1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.291   1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.291   2.475   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.006   2.888   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.006   0.412   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.720   0.000   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.720  -0.825   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.006  -1.238   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.291  -0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.291   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.006  -2.062   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.291  -2.475   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.291  -3.300   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.577  -3.712   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.862  -3.300   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.862  -2.475   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.577  -2.062   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.148  -3.712   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       0.567  -3.300   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.281  -3.712   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.995  -3.300   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       1.995  -2.475   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       1.281  -2.062   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.567  -2.475   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.710  -2.062   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.507  -2.276   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.720  -1.479   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.923  -1.266   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -1.577   1.238   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -0.862   1.650   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.862   2.475   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1      -1.577   2.888   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1      -1.577   3.712   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1      -0.148   2.888   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1      -0.148   1.238   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   31                                            
CONECT    5    4    6   34                                            
CONECT    6    5    1                                                 
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   24   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   27                                                 
CONECT   31    4   32                                                 
CONECT   32   31   33   37                                            
CONECT   33   32   34   36                                            
CONECT   34   33    5   35                                            
CONECT   35   34                                                      
CONECT   36   33                                                      
CONECT   37   32                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D05KRX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.500  -1.872   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.500  -2.697   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.786  -3.110   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.071  -2.697   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.071  -1.872   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786  -1.460   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.357  -1.460   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.357  -0.635   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.358  -0.222   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.358   0.603   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.357   1.015   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.071   0.603   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.071  -0.222   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.358  -1.872   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       1.072  -1.460   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.787  -1.872   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.787  -2.697   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.501  -1.460   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.216  -1.872   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.930  -1.460   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.930  -0.635   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.216  -0.222   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.501  -0.635   0.000  1.00  0.00           C  
HETATM   24 CL   UNL     1       3.216  -2.697   0.000  1.00  0.00          Cl  
HETATM   25  N   UNL     1       3.216   0.603   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       2.501   1.015   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.787   0.603   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.787  -0.222   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       2.501   1.840   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       3.169   2.325   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.914   3.110   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.089   3.110   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.834   2.325   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       3.326   3.824   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1      -3.216  -3.110   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1      -2.803  -3.824   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -3.930  -3.522   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1      -3.628  -2.395   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   35                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   14                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    7   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19   23                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   18   28                                            
CONECT   24   19                                                      
CONECT   25   22   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   26   30   33                                            
CONECT   30   29   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   29                                                 
CONECT   34   31                                                      
CONECT   35    2   36   37   38                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D05KXF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.572   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.429   1.650   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.143   2.062   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1      -0.715   0.412   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.715  -0.412   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.429  -0.825   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.429  -1.650   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.715  -2.062   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.000  -1.650   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.000  -0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.715  -2.062   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.429  -1.650   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.429  -0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.715  -0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.143  -2.062   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.858  -1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.572  -2.062   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.287  -1.650   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.287  -0.825   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.572  -0.412   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.858  -0.825   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    8   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   12   21                                            
CONECT   18   16   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   17                                                 
CONECT   22   19   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D05LTB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.735   1.797   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.735   0.972   0.000  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.021   0.559   0.000  1.00  0.00           O  
HETATM    4  C   UNL     1       0.694   0.972   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.694   1.797   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.021   2.209   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -1.520   2.052   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1      -2.005   1.385   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.520   0.717   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.021   3.034   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1       1.408   0.559   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.408  -0.266   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.122  -0.678   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       2.837  -0.266   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       2.837   0.559   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.122   0.972   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.775  -0.068   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.582  -0.239   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.837  -1.024   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.285  -1.637   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.478  -1.465   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.223  -0.681   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.540  -2.421   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.988  -3.034   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.181  -2.863   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.926  -2.078   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   11                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   10                                            
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    2   17                                            
CONECT   10    6                                                      
CONECT   11    4   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    9   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22   26                                            
CONECT   22   21   17                                                 
CONECT   23   20   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D05LZV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.262   0.315   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.452   0.727   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.167   0.315   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       1.881   0.727   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.596   0.315   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.977   0.727   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.310   0.727   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       4.135   0.727   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       3.723   1.442   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       4.850   0.315   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       4.850  -0.510   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       5.564   0.727   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1       2.596  -0.510   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1       0.452   1.552   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.167  -0.510   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.452  -0.923   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.373  -0.923   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.666  -1.720   0.000  1.00  0.00           C  
HETATM   19  S   UNL     1      -1.063   1.548   0.000  1.00  0.00           S  
HETATM   20  C   UNL     1      -1.870   1.720   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.282   1.005   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.730   0.392   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.103   0.919   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.588   1.586   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.408   1.500   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.744   0.746   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.259   0.079   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.438   0.165   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1      -5.564   0.660   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   14                                            
CONECT    3    2    4   15                                            
CONECT    4    3    5                                                 
CONECT    5    4    7   13                                            
CONECT    6    1   19   22                                            
CONECT    7    5    8    9                                            
CONECT    8    7    9   10                                            
CONECT    9    8    7                                                 
CONECT   10    8   11   12                                            
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13    5                                                      
CONECT   14    2                                                      
CONECT   15    3   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19    6   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21    6                                                 
CONECT   23   21   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D05MAR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.173   4.673   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.173   3.848   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.744   3.848   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.744   4.673   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.459   5.086   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.030   5.086   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.888   5.086   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.030   3.436   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.030   2.611   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.685   2.198   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.685   1.373   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       1.399   2.611   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.017   0.888   0.000  1.00  0.00           C  
HETATM   14  S   UNL     1       0.272   0.104   0.000  1.00  0.00           S  
HETATM   15  C   UNL     1       1.097   0.104   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.352   0.888   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.137   1.143   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.582  -0.564   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.403  -0.477   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.247  -1.317   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.426  -1.404   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.091  -2.157   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       0.576  -2.825   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.396  -2.739   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.732  -1.985   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.888  -1.145   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.459   3.436   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.459   2.611   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.744   2.198   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.744   1.373   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.240  -3.578   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.581  -3.665   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1      -1.065  -2.997   0.000  1.00  0.00           N  
HETATM   34  N   UNL     1      -0.916  -4.418   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1      -0.431  -5.086   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.731  -2.242   0.000  1.00  0.00           C  
HETATM   37  N   UNL     1       0.094  -2.242   0.000  1.00  0.00           N  
CONECT    1    2    5    7                                            
CONECT    2    1   27                                                 
CONECT    3    4    8   27                                            
CONECT    4    3    5    6                                            
CONECT    5    4    1                                                 
CONECT    6    4                                                      
CONECT    7    1                                                      
CONECT    8    3    9                                                 
CONECT    9    8   10   29                                            
CONECT   10    9   11   12                                            
CONECT   11   10   13   16                                            
CONECT   12   10                                                      
CONECT   13   11   14   30                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   11   17                                            
CONECT   17   16                                                      
CONECT   18   15   19   20                                            
CONECT   19   18   26                                                 
CONECT   20   18   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   31                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   19                                                      
CONECT   27    2    3   28                                            
CONECT   28   27                                                      
CONECT   29    9   30                                                 
CONECT   30   29   13                                                 
CONECT   31   23   32                                                 
CONECT   32   31   33   34                                            
CONECT   33   32   36                                                 
CONECT   34   32   35                                                 
CONECT   35   34                                                      
CONECT   36   33   37                                                 
CONECT   37   36                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D05MIG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572  -1.854   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572  -2.679   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.858  -3.092   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.143  -2.679   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.143  -1.854   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.858  -1.442   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.287  -1.442   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.429  -3.092   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.714  -2.679   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.000  -3.092   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.714  -2.679   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.714  -1.854   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.000  -1.442   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.714  -1.854   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.858  -0.617   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.429  -1.442   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.143  -1.854   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       1.429  -0.617   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.858  -1.442   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.572  -1.854   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.287  -1.442   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.287  -0.617   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.572  -0.204   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.858  -0.617   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.143  -0.204   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.143   0.621   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.858   1.033   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.572   0.621   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.572  -0.204   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.143  -0.204   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.572  -2.679   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.858   1.858   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -3.570   2.269   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1      -4.282   2.681   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -4.282   1.858   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1      -3.570   3.092   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   15                                            
CONECT    7    1                                                      
CONECT    8    4    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    6   25   29                                            
CONECT   16   12   17   18                                            
CONECT   17   16   19                                                 
CONECT   18   16                                                      
CONECT   19   17   20   24                                            
CONECT   20   19   21   31                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19   30                                            
CONECT   25   15   26                                                 
CONECT   26   25   27                                                 
CONECT   27   32   26   28                                            
CONECT   28   27   29                                                 
CONECT   29   28   15                                                 
CONECT   30   24                                                      
CONECT   31   20                                                      
CONECT   32   33   27                                                 
CONECT   33   34   35   36   32                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D05MKN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1 CL   UNL     1      -6.914  -0.468   0.000  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -6.200  -0.055   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.771   0.770   0.000  1.00  0.00           C  
HETATM    4  O   UNL     1      -4.056   1.182   0.000  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.342   0.770   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.342  -0.055   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.627  -0.468   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.913  -0.055   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.913   0.770   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.627   1.182   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.198   1.182   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.484   0.770   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.231   1.182   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.945   0.770   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.358   0.055   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.072   0.468   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.660   1.182   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.787   0.055   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       3.501   0.468   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       2.787  -0.770   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       4.216   0.055   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.485   1.182   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.200   0.770   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.485  -0.468   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.771  -0.055   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.216  -0.770   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       4.930  -1.182   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       5.644  -0.770   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.644   0.055   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.930   0.468   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       6.429  -1.025   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       6.914  -0.357   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       6.429   0.310   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1   23   24                                            
CONECT    3    4   22   25                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   10                                            
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   14                                                 
CONECT   18   16   19   20                                            
CONECT   19   18   21                                                 
CONECT   20   18                                                      
CONECT   21   19   26   30                                            
CONECT   22    3   23                                                 
CONECT   23   22    2                                                 
CONECT   24    2   25                                                 
CONECT   25   24    3                                                 
CONECT   26   21   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30   33                                            
CONECT   30   29   21                                                 
CONECT   31   28   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   29                                                 
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D05MRY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.574  -0.635   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.574  -1.460   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.859  -1.872   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.145  -1.460   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.145  -0.635   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.859  -0.222   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.288  -0.222   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.430  -0.222   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.284  -0.635   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -0.430   0.603   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.999  -0.222   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.713  -0.635   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       2.427  -0.222   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.427   0.603   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       1.713   1.015   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       0.999   0.603   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.713  -1.460   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.999  -1.872   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.999  -2.697   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.713  -3.110   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.427  -2.697   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.427  -1.872   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.375   0.598   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1      -4.181   0.770   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.594   0.055   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.042  -0.558   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.517   1.523   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1      -0.430  -1.872   0.000  1.00  0.00           F  
HETATM   29  C   UNL     1       3.142   1.015   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       3.142   1.840   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       3.809   2.325   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.554   3.110   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       2.729   3.110   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1       2.474   2.325   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1       4.594   2.070   0.000  1.00  0.00           O  
HETATM   36  O   UNL     1       1.690   2.070   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1      -3.289  -1.872   0.000  1.00  0.00           C  
HETATM   38  F   UNL     1      -2.580  -3.100   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1      -4.517  -2.581   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1      -3.998  -0.644   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3   37                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   28                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    1   23   26                                            
CONECT    8    5    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9   12   16                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   29                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   12   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23    7   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25    7                                                 
CONECT   27   24                                                      
CONECT   28    4                                                      
CONECT   29   14   30                                                 
CONECT   30   29   31   34                                            
CONECT   31   30   32   35                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   30   36                                            
CONECT   35   31                                                      
CONECT   36   34                                                      
CONECT   37   38   39   40    2                                       
CONECT   38   37                                                      
CONECT   39   37                                                      
CONECT   40   37                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END

$$$$

$$$$

$$$$
D05MTZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.862   0.313   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.862  -0.512   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.147  -0.924   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.567  -0.512   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.567   0.313   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.147   0.726   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       1.282   0.726   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       1.996   0.313   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.711   0.726   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       2.711   1.550   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1       3.425   0.313   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       4.139   0.726   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       4.854   0.313   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       5.568   0.726   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       5.568   1.550   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.854   1.963   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.139   1.550   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.576  -0.924   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.373  -0.711   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.170  -0.924   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.170  -1.750   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.373  -1.963   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.576  -1.750   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.786  -0.423   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.786  -1.248   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.444   0.098   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.747  -0.145   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.988  -1.032   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.988  -1.857   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1      -4.785  -0.819   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -5.582  -1.032   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.379  -0.819   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.592  -0.022   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.416   0.021   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.712  -0.749   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1      -7.071  -1.268   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1       6.283   0.313   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1       6.997   0.726   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1       7.712   0.313   0.000  1.00  0.00           C  
HETATM   40  O   UNL     1       6.283  -0.512   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   37                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    2   19   23   27                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   26   28                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   18                                                 
CONECT   24   25   26   27                                            
CONECT   25   24   22                                                 
CONECT   26   20   24                                                 
CONECT   27   24   18                                                 
CONECT   28   20   29   30                                            
CONECT   29   28                                                      
CONECT   30   28   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   36                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   32                                                 
CONECT   37   14   38   40                                            
CONECT   38   37   39                                                 
CONECT   39   38                                                      
CONECT   40   37                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D05MVF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786   0.954   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.072   1.366   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.357   0.954   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.357   1.366   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.072   0.954   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       1.786   1.366   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       2.501   0.954   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.215   1.366   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.072   2.191   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1       2.501   0.129   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       3.930   0.954   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       4.644   1.366   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       4.644   2.191   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.930   2.604   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.215   2.191   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       5.359   0.954   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.765  -0.129   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.050  -0.541   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.336  -0.129   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1      -1.050  -1.366   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.336  -1.779   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.379  -2.191   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.336  -2.604   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.379  -1.366   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.359   0.129   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       6.073  -0.284   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       6.787   0.129   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       6.787   0.954   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       6.073   1.366   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.501   1.366   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -3.215   0.954   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.930   1.366   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.644   0.954   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.359   1.366   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1      -3.215   0.129   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1      -5.359   2.191   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.073   2.604   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.787   2.191   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.787   1.366   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.073   0.954   0.000  1.00  0.00           C  
CONECT    1    2   17   30                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    8   10                                            
CONECT    8    7   11   15                                            
CONECT    9    2                                                      
CONECT   10    7                                                      
CONECT   11    8   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    8                                                 
CONECT   16   12   25   29                                            
CONECT   17    1   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22   23   24                                       
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24   21                                                      
CONECT   25   16   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   16                                                 
CONECT   30    1   31                                                 
CONECT   31   30   32   35                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   36   40                                            
CONECT   35   31                                                      
CONECT   36   34   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   34                                                 
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D05MYL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.170  -0.122   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.170  -0.948   0.000  1.00  0.00           C  
HETATM    3  O   UNL     1       0.954  -1.202   0.000  1.00  0.00           O  
HETATM    4  C   UNL     1       1.439  -0.535   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.954   0.133   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.439  -1.870   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.224  -1.615   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.224  -0.790   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       1.209   0.917   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       2.636  -0.075   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       3.021  -0.576   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       1.184  -2.655   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.655  -0.122   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.041   0.692   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.068  -0.837   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.893  -0.837   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.655  -1.551   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.305  -0.122   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.893   0.592   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.893   1.417   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.178   1.829   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.178   2.655   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.464   1.417   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.889   0.461   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.021  -0.948   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.021  -0.122   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.306  -1.360   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.538   2.450   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.252   2.037   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1      -0.823   2.037   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -0.109   2.450   0.000  1.00  0.00           C  
CONECT    1    2    5   13   14                                       
CONECT    2    1    3                                                 
CONECT    3    2    6                                                 
CONECT    4    5    8                                                 
CONECT    5    4    1    9                                            
CONECT    6    3    7   12                                            
CONECT    7    6    8                                                 
CONECT    8    7    4   10   11                                       
CONECT    9    5                                                      
CONECT   10    8                                                      
CONECT   11    8                                                      
CONECT   12    6                                                      
CONECT   13    1   15                                                 
CONECT   14    1                                                      
CONECT   15   13   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   19   24   25                                       
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   28                                                 
CONECT   23   21                                                      
CONECT   24   18                                                      
CONECT   25   18   26   27                                            
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   22   29   30                                            
CONECT   29   28                                                      
CONECT   30   28   31                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END

$$$$

$$$$

$$$$
D05NBB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -5.567  -3.203   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.155  -3.917   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.330  -3.917   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.918  -3.203   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.330  -2.489   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.155  -2.489   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.093  -3.203   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.608  -3.870   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.824  -3.615   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.824  -2.791   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.608  -2.536   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.109  -4.028   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.395  -3.615   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.395  -2.791   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.109  -2.378   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.109  -1.553   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.863  -4.655   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.918  -1.774   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.505  -1.060   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.093  -0.346   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.268  -0.346   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.856   0.368   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.268   1.083   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.093   1.083   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.505   0.368   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.031   0.368   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.619   1.083   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       0.206   1.083   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       0.619   1.797   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.444   1.797   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.856   2.511   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.444   3.226   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       0.619   3.226   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       0.206   2.511   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1      -1.031   1.797   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1       1.856   3.940   0.000  1.00  0.00           C  
HETATM   37  N   UNL     1       2.681   3.940   0.000  1.00  0.00           N  
HETATM   38  C   UNL     1       3.093   3.226   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       3.918   3.226   0.000  1.00  0.00           C  
HETATM   40  N   UNL     1       4.330   3.940   0.000  1.00  0.00           N  
HETATM   41  C   UNL     1       3.918   4.654   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       3.093   4.654   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       5.155   3.940   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       5.567   3.226   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1       0.206   3.940   0.000  1.00  0.00           C  
HETATM   46  F   UNL     1      -0.206   4.655   0.000  1.00  0.00           F  
HETATM   47  F   UNL     1      -0.619   3.940   0.000  1.00  0.00           F  
HETATM   48  F   UNL     1       0.619   4.655   0.000  1.00  0.00           F  
HETATM   49  N   UNL     1      -5.567  -4.632   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   49                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   18                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   17                                            
CONECT    9    8   10   12                                            
CONECT   10    9   11   15                                            
CONECT   11   10    7                                                 
CONECT   12    9   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10   16                                            
CONECT   16   15                                                      
CONECT   17    8                                                      
CONECT   18    5   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   22   27                                                 
CONECT   27   26   28   35                                            
CONECT   28   27   29                                                 
CONECT   29   28   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   36                                            
CONECT   33   32   34   45                                            
CONECT   34   33   29                                                 
CONECT   35   27                                                      
CONECT   36   32   37                                                 
CONECT   37   36   38   42                                            
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41   43                                            
CONECT   41   40   42                                                 
CONECT   42   41   37                                                 
CONECT   43   40   44                                                 
CONECT   44   43                                                      
CONECT   45   33   46   47   48                                       
CONECT   46   45                                                      
CONECT   47   45                                                      
CONECT   48   45                                                      
CONECT   49    2                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
M  END

$$$$
D05NBR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.697  -0.431   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.037  -0.053   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.731  -0.499   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.464  -0.121   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1       0.076   0.771   0.000  1.00  0.00           O  
HETATM    6  N   UNL     1       2.201  -0.492   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1       2.781   0.094   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.404   0.827   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.589   0.694   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.334  -1.306   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.695  -1.829   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.828  -2.643   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.599  -2.935   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.238  -2.413   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.105  -1.599   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.411  -0.018   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.696   1.599   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.003   1.275   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.496   1.798   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       3.555   2.620   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1       2.790   2.930   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.259   2.299   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.591   3.731   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.411   0.807   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.126   1.219   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.840   0.807   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.840  -0.018   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.126  -0.431   0.000  1.00  0.00           C  
HETATM   29 CL   UNL     1      -3.555   1.219   0.000  1.00  0.00          Cl  
HETATM   30 CL   UNL     1      -2.126   2.044   0.000  1.00  0.00          Cl  
HETATM   31  C   UNL     1      -2.126  -1.256   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.840  -1.668   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.840  -2.493   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1      -3.555  -2.906   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1      -3.555  -3.731   0.000  1.00  0.00           C  
CONECT    1    2   16                                                 
CONECT    2    1    3    5                                            
CONECT    3    2    4                                                 
CONECT    4    3    6    9                                            
CONECT    5    2                                                      
CONECT    6    4    7   10                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   17                                            
CONECT    9    8    4   18                                            
CONECT   10    6   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    1   24   28                                            
CONECT   17    8   19   22                                            
CONECT   18    9                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   17                                                 
CONECT   23   21                                                      
CONECT   24   16   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   16   31                                            
CONECT   29   26                                                      
CONECT   30   25                                                      
CONECT   31   28   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D05NHA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429   0.412   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.858  -1.238   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.715   0.000   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.143   0.000   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.000   0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.858   0.412   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       0.000  -1.238   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1       2.858   1.238   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    9   11                                                 
CONECT    9    8   10                                                 
CONECT   10    9   12                                                 
CONECT   11    5    8                                                 
CONECT   12   10   14                                                 
CONECT   13    4                                                      
CONECT   14   12                                                      
MASTER        0    0    0    0    0    0    0    0   14    0   14    0
END
M  END

$$$$
D05NQZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.622  -0.493   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.622  -1.315   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.909  -1.726   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.197  -1.315   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.197  -0.493   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.909  -0.082   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.416  -1.569   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.932  -0.904   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.416  -0.239   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.611  -0.068   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.357   0.714   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.907   1.325   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.712   1.154   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.966   0.372   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.653   2.107   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.151   2.278   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.161  -2.351   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.701   1.667   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.505   1.838   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.759   2.620   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.209   3.231   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.405   3.060   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.712  -2.962   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.458  -3.744   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.653  -3.915   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.103  -3.304   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.357  -2.522   0.000  1.00  0.00           C  
HETATM   28 CL   UNL     1      -2.008  -4.355   0.000  1.00  0.00          Cl  
HETATM   29 CL   UNL     1       0.701  -3.474   0.000  1.00  0.00          Cl  
HETATM   30  O   UNL     1       2.563   2.791   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       2.817   3.573   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1       3.071   4.355   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       2.267   4.184   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       3.622   3.744   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   17                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   10   14                                       
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16                                                 
CONECT   16   15   18   22                                            
CONECT   17    7   23   27                                            
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   30   19   21                                            
CONECT   21   20   22                                                 
CONECT   22   21   16                                                 
CONECT   23   17   24                                                 
CONECT   24   23   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   17                                                 
CONECT   28   24                                                      
CONECT   29   26                                                      
CONECT   30   31   20                                                 
CONECT   31   32   33   34   30                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D05NRG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930   1.239   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930   0.414   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215   0.001   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501   0.414   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501   1.239   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215   1.651   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.786   0.001   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.072   0.414   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.072   1.239   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.786   1.651   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.786   2.476   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.357   1.651   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.357   1.239   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.072   1.651   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.072   2.476   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.357   2.889   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.357   2.476   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.786   1.239   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.786   0.414   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.501   0.001   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.501  -0.824   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.215  -1.236   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.786  -1.236   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.215  -2.061   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.930  -2.474   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.930  -3.299   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.644  -3.711   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.215  -3.711   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.215   2.476   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.927   2.888   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.644   0.001   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.644  -0.821   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       1.786   2.889   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1       1.786   3.711   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2   31    1    3                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6   29    5    1                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    9   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   33   14   16                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   14   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   24                                                 
CONECT   23   21                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   30    6                                                 
CONECT   30   29                                                      
CONECT   31   32    2                                                 
CONECT   32   31                                                      
CONECT   33   34   15                                                 
CONECT   34   33                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D05NUN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.148   0.080   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.061  -0.741   0.000  1.00  0.00           N  
HETATM    3  N   UNL     1      -0.255  -0.912   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.158  -0.198   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.394   0.416   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.675  -1.292   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.459  -1.038   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.072  -1.590   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.901  -2.397   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.116  -2.651   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.503  -2.099   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -0.718  -2.354   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1       0.979  -0.111   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.531  -0.724   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.862   0.492   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.862   1.317   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.577   1.730   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.291   1.317   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.291   0.492   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.577   0.080   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1      -4.006   1.730   0.000  1.00  0.00          Cl  
HETATM   22  O   UNL     1       1.274   0.659   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       2.356  -0.724   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.223   1.223   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.635   1.937   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.460   1.937   0.000  1.00  0.00           N  
HETATM   27  N   UNL     1      -0.223   2.651   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       2.768  -0.010   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       3.593  -0.010   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       4.006   0.705   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.006  -0.724   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.593   1.419   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.593  -1.439   0.000  1.00  0.00           C  
CONECT    1    2    5   15                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    1   24                                            
CONECT    6    2    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    6   12                                            
CONECT   12   11                                                      
CONECT   13    4   14   22                                            
CONECT   14   13   23                                                 
CONECT   15    1   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18                                                      
CONECT   22   13                                                      
CONECT   23   14   28                                                 
CONECT   24    5   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   23   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29   32                                                 
CONECT   31   29   33                                                 
CONECT   32   30                                                      
CONECT   33   31                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D05OEZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.255   0.419   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.255  -0.406   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.611  -0.921   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.806  -0.737   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.448   0.006   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.806   0.749   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.611   0.933   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.794   1.737   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.978   2.542   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.161   3.346   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.557   3.907   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.740   4.711   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.528   4.955   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.133   4.393   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.950   3.589   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -4.999   0.777   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1      -2.292  -1.382   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.467  -1.382   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.054  -2.097   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.229  -2.097   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.183  -1.382   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.229  -0.668   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.054  -0.668   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.008  -1.382   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       1.421  -0.668   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1       1.421  -2.097   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.246  -2.097   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.658  -2.811   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.483  -2.811   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       3.896  -3.526   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       4.721  -3.526   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.483  -4.240   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       5.133  -2.811   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.896  -4.955   0.000  1.00  0.00           C  
CONECT    1    2    7   16                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   17                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    1    8                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    1                                                      
CONECT   17    4   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   21   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30   33                                                 
CONECT   32   30   34                                                 
CONECT   33   31                                                      
CONECT   34   32                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D05OIU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.649   1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.649   0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.934   0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.220   0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.220   1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.934   1.856   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -1.934   2.681   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1      -1.220   3.094   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.934  -0.619   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.220  -1.031   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.220  -1.856   0.000  1.00  0.00           C  
HETATM   12  F   UNL     1      -0.807  -0.317   0.000  1.00  0.00           F  
HETATM   13  F   UNL     1      -0.395  -1.031   0.000  1.00  0.00           F  
HETATM   14  C   UNL     1      -1.934  -2.269   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.505  -2.269   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.649  -2.681   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.363  -3.094   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.209  -1.856   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.924  -2.269   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.638  -1.856   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.353  -2.269   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.765  -2.983   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.178  -2.269   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       0.924  -3.094   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       0.209  -1.031   0.000  1.00  0.00           C  
HETATM   26  S   UNL     1       0.793  -0.448   0.000  1.00  0.00           S  
HETATM   27  C   UNL     1       0.793   0.377   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.507   0.790   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.332   0.790   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.920   1.504   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.566  -1.470   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       3.363  -1.683   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7                                                      
CONECT    9    3   10                                                 
CONECT   10    9   11   12   13                                       
CONECT   11   10   14   15                                            
CONECT   12   10                                                      
CONECT   13   10                                                      
CONECT   14   11   16                                                 
CONECT   15   11   18                                                 
CONECT   16   14   17                                                 
CONECT   17   16                                                      
CONECT   18   15   19   25                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   23   31                                       
CONECT   22   21   23                                                 
CONECT   23   22   21                                                 
CONECT   24   19                                                      
CONECT   25   18   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28   30                                                 
CONECT   30   29   28                                                 
CONECT   31   21   32                                                 
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D05OTD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.042  -1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.042  -2.062   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.327  -2.475   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.613  -2.062   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.613  -1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.327  -0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.898  -0.825   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.898   0.000   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -1.184  -1.238   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.184   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.184   1.238   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.469   1.650   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.469   2.475   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.184   2.887   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.898   2.475   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.898   1.650   0.000  1.00  0.00           C  
HETATM   17  F   UNL     1      -1.184   3.712   0.000  1.00  0.00           F  
HETATM   18  F   UNL     1       0.245   2.887   0.000  1.00  0.00           F  
HETATM   19  N   UNL     1      -1.898  -2.475   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.184  -2.062   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.469  -2.475   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.469  -3.300   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.245  -3.712   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.960  -3.300   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.960  -2.475   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.245  -2.062   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.674  -2.062   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.428  -2.398   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.980  -1.785   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       2.567  -1.071   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       1.760  -1.242   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.683  -3.183   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.490  -3.354   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.042  -2.741   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1       3.787  -1.956   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   19                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   14                                                      
CONECT   18   13                                                      
CONECT   19    4   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   21                                                 
CONECT   27   25   28   31                                            
CONECT   28   27   29   32                                            
CONECT   29   28   30   35                                            
CONECT   30   29   31                                                 
CONECT   31   30   27                                                 
CONECT   32   28   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   29                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END

$$$$

$$$$

$$$$
D05PDI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.624  -0.784   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.624  -1.609   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.909  -2.021   0.000  1.00  0.00           N  
HETATM    4  N   UNL     1      -1.195  -1.609   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.195  -0.784   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.909  -0.371   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.427  -0.482   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.184   0.306   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.648   0.988   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.471   1.049   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.032   0.445   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.398  -1.822   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.052  -1.130   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.714   1.838   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.518   2.021   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.080   1.416   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.836   0.628   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.632   0.429   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.147  -0.216   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.962  -0.093   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.264   0.675   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.749   1.320   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.934   1.197   0.000  1.00  0.00           C  
HETATM   24  F   UNL     1       0.845  -0.984   0.000  1.00  0.00           F  
HETATM   25  O   UNL     1       3.080   0.798   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   12                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1   11                                            
CONECT    7    5    8   13                                            
CONECT    8    7    9   18                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10    6   17                                            
CONECT   12    4   13                                                 
CONECT   13   12    7                                                 
CONECT   14   10   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   11                                                 
CONECT   18    8   19   23                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   19                                                      
CONECT   25   21                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D05PMY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.622   0.084   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.797   0.080   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.385   0.794   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.441   0.794   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.696   1.579   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.028   2.064   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.639   1.579   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.853   0.080   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.678   0.080   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.091  -0.635   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.091   0.794   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1      -2.106   0.752   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.891   0.498   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.891  -0.327   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1      -2.106  -0.583   0.000  1.00  0.00           S  
HETATM   16  N   UNL     1      -3.606   0.910   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -4.320   0.498   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.320  -0.327   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.606  -0.740   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.678  -1.349   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.091  -2.064   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.916  -2.064   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.328  -1.349   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.916  -0.635   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       3.328   0.080   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1       4.149   0.166   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       4.320   0.973   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.606   1.385   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       2.993   0.833   0.000  1.00  0.00           N  
CONECT    1    2   12   15                                            
CONECT    2    1    3                                                 
CONECT    3    4    7    2                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    3                                                 
CONECT    8    9    4                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   20   24                                            
CONECT   11    9                                                      
CONECT   12    1   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   19                                            
CONECT   15   14    1                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   10   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   10   25                                            
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   25                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D05PRG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.857   1.237   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.857   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429   1.237   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143   1.650   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.143   2.474   0.000  1.00  0.00           O  
HETATM    8 CL   UNL     1      -0.714   1.650   0.000  1.00  0.00          Cl  
HETATM    9  F   UNL     1      -2.143  -0.825   0.000  1.00  0.00           F  
HETATM   10  N   UNL     1      -0.714   0.000   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.714  -0.825   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.429  -1.237   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.429  -2.062   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.714  -2.474   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.000  -2.062   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.000  -1.237   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.714  -2.474   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.429  -2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.429  -1.237   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.714  -0.825   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       2.143  -0.825   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       2.143  -2.474   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       2.857  -1.237   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.857  -2.062   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    9                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    5                                                      
CONECT    9    3                                                      
CONECT   10    4   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   11   20                                            
CONECT   17   15   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20   21                                            
CONECT   20   19   16                                                 
CONECT   21   19   23                                                 
CONECT   22   18   24                                                 
CONECT   23   21                                                      
CONECT   24   22                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D05PTF
  -OEChem-09301911242D

 66 70  0     1  0  0  0  0  0999 V2000
    7.1962   -1.1270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.1270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -5.4930    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -3.7610    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -5.1270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301   -5.4930    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301   -3.7610    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.8730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.8730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.3730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.8730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.3730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3385    1.5683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9221    2.3730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.8730    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0622    3.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    3.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    2.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3385    3.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    2.5630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    3.0630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    1.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382    4.3361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    5.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182    5.4100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.0630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -1.0444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -1.7346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    3.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.8170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.8170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1233    1.5630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.2470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.7530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5311    3.7671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5311    0.9790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  1  0  0  0  0
  2 44  1  0  0  0  0
  3 44  1  0  0  0  0
  4 44  1  0  0  0  0
  5 45  1  0  0  0  0
  6 45  1  0  0  0  0
  7 45  1  0  0  0  0
  8 22  2  0  0  0  0
  9 23  2  0  0  0  0
 10 29  2  0  0  0  0
 11 17  1  0  0  0  0
 11 23  1  0  0  0  0
 11 47  1  0  0  0  0
 12 20  1  0  0  0  0
 12 23  1  0  0  0  0
 12 49  1  0  0  0  0
 13 22  1  0  0  0  0
 13 30  1  0  0  0  0
 13 55  1  0  0  0  0
 14 29  1  0  0  0  0
 14 31  1  0  0  0  0
 14 58  1  0  0  0  0
 15 16  1  0  0  0  0
 15 40  1  0  0  0  0
 15 66  1  0  0  0  0
 16 43  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 46  1  0  0  0  0
 18 20  2  0  0  0  0
 18 22  1  0  0  0  0
 19 21  2  0  0  0  0
 19 24  1  0  0  0  0
 20 26  1  0  0  0  0
 21 25  1  0  0  0  0
 21 48  1  0  0  0  0
 24 27  2  0  0  0  0
 24 50  1  0  0  0  0
 25 28  2  0  0  0  0
 25 29  1  0  0  0  0
 26 51  1  0  0  0  0
 26 52  1  0  0  0  0
 26 53  1  0  0  0  0
 27 28  1  0  0  0  0
 27 54  1  0  0  0  0
 30 33  2  0  0  0  0
 30 37  1  0  0  0  0
 31 32  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
 32 35  2  0  0  0  0
 32 36  1  0  0  0  0
 33 34  1  0  0  0  0
 33 59  1  0  0  0  0
 34 40  2  0  0  0  0
 34 43  1  0  0  0  0
 35 38  1  0  0  0  0
 35 60  1  0  0  0  0
 36 39  2  0  0  0  0
 36 61  1  0  0  0  0
 37 42  2  0  0  0  0
 37 62  1  0  0  0  0
 38 41  2  0  0  0  0
 38 45  1  0  0  0  0
 39 41  1  0  0  0  0
 39 44  1  0  0  0  0
 40 42  1  0  0  0  0
 41 63  1  0  0  0  0
 42 64  1  0  0  0  0
 43 65  1  0  0  0  0
M  END

$$$$
D05PXW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.786  -0.206   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM    5  S   UNL     1      -0.357  -0.206   0.000  1.00  0.00           S  
HETATM    6  S   UNL     1       0.357   0.206   0.000  1.00  0.00           S  
HETATM    7  C   UNL     1       1.072  -0.206   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.786   0.206   0.000  1.00  0.00           N  
HETATM    9  S   UNL     1      -1.072   1.031   0.000  1.00  0.00           S  
HETATM   10  S   UNL     1       1.072  -1.031   0.000  1.00  0.00           S  
HETATM   11  C   UNL     1       2.501  -0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.215   0.206   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    8   10                                            
CONECT    8    7   11                                                 
CONECT    9    4                                                      
CONECT   10    7                                                      
CONECT   11    8   12                                                 
CONECT   12   11                                                      
MASTER        0    0    0    0    0    0    0    0   12    0   12    0
END
M  END

$$$$
D05PZG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.423  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.423  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.708  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.006  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.006  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.708   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.137   0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.852  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.852  -1.031   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.137  -1.444   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.721   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.474  -0.129   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       2.026   0.484   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1       1.614   1.198   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.807   1.027   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.708   1.031   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.423   1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.423   2.269   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.566  -1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.137  -2.269   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.852  -2.681   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.423  -2.681   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.852   0.484   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.566   0.896   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.708   2.681   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       3.566   1.721   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   11                                            
CONECT    6    5    1   16                                            
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   19                                            
CONECT   10    9    2   20                                            
CONECT   11    5   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   23                                            
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16    6   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   25                                                 
CONECT   19    9                                                      
CONECT   20   10   21   22                                            
CONECT   21   20                                                      
CONECT   22   20                                                      
CONECT   23   13   24                                                 
CONECT   24   23   26                                                 
CONECT   25   18                                                      
CONECT   26   24                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D05QAL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.995   2.352   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.995   1.527   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.280   1.115   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.566   1.527   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.566   2.352   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.280   2.765   0.000  1.00  0.00           C  
HETATM    7 BR   UNL     1      -5.709   2.765   0.000  1.00  0.00          Br  
HETATM    8  N   UNL     1      -4.280   0.290   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.566  -0.123   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.852   0.290   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.566  -0.948   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1      -4.280  -1.360   0.000  1.00  0.00           O  
HETATM   13  F   UNL     1      -4.280   3.590   0.000  1.00  0.00           F  
HETATM   14  C   UNL     1      -2.137  -0.123   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.852   1.115   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.137  -0.948   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.423  -1.360   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.708  -0.948   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.708  -0.123   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.423   0.290   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.006  -1.360   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       0.721  -0.948   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1       0.006  -2.185   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       1.435  -1.360   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.435  -2.185   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.150  -2.598   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.864  -2.185   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.864  -1.360   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.150  -0.948   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.579  -2.598   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.665  -3.418   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       4.472  -3.590   0.000  1.00  0.00           N  
HETATM   33  N   UNL     1       4.884  -2.875   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1       4.332  -2.262   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       5.709  -2.875   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   13                                            
CONECT    7    1                                                      
CONECT    8    3    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   14   15                                            
CONECT   11    9   12                                                 
CONECT   12   11                                                      
CONECT   13    6                                                      
CONECT   14   10   16   20                                            
CONECT   15   10                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   14                                                 
CONECT   21   18   22   23                                            
CONECT   22   21   24                                                 
CONECT   23   21                                                      
CONECT   24   22   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27   31   34                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   35                                            
CONECT   34   33   30                                                 
CONECT   35   33                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D05QCM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215  -0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.786  -0.412   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.786   0.412   0.000  1.00  0.00           O  
HETATM    9  N   UNL     1      -1.072  -0.825   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -0.357  -0.412   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.357  -0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.072  -0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.786  -0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.501  -0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.501   0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.786   0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.072   0.412   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.644  -2.062   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       0.357  -1.650   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.215   0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.930   0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.644   0.825   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.644   1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.930   2.062   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.215   1.650   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   19                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    2                                                      
CONECT   19   11                                                      
CONECT   20   15   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D05QJY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.696  -0.208   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.696  -1.033   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.981  -1.445   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.267  -1.033   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.267  -0.208   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.981   0.205   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.552  -1.445   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.838  -1.033   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.838  -0.208   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.552   0.205   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.123   0.205   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.123   1.030   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.838   1.442   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.552   1.030   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.661  -0.050   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.146   0.617   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.661   1.285   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.410  -1.445   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.552  -2.270   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.123  -1.445   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.838  -2.683   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.916   2.070   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.364   2.683   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.723   2.241   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.275   1.628   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.082   1.799   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       3.696   1.247   0.000  1.00  0.00           N  
HETATM   28  N   UNL     1       4.410   1.660   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1       4.238   2.467   0.000  1.00  0.00           N  
HETATM   30  N   UNL     1       3.418   2.553   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.267   0.617   0.000  1.00  0.00           C  
HETATM   32  H   UNL     1      -2.267  -1.858   0.000  1.00  0.00           H  
HETATM   33  C   UNL     1      -0.037   1.850   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7   32                                       
CONECT    5    4    6   10   31                                       
CONECT    6    5    1                                                 
CONECT    7    4    8   19                                            
CONECT    8    7    9   20                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12   15                                            
CONECT   12   11   13   17   33                                       
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   22                                            
CONECT   18    2                                                      
CONECT   19    7   21                                                 
CONECT   20    8                                                      
CONECT   21   19                                                      
CONECT   22   17   23   24                                            
CONECT   23   22                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   26                                                 
CONECT   31    5                                                      
CONECT   32    4                                                      
CONECT   33   12                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D05QVX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.562   1.567   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.348   0.770   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.551   0.557   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.968   1.140   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.181   1.937   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.978   2.151   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.177  -0.178   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.362  -0.049   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.233   0.766   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.498   1.140   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.806   0.691   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.071   1.065   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.849  -0.133   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -1.379   0.616   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1      -2.028   1.889   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.644   0.991   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.048   0.541   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.783   0.916   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.475   0.467   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.210   0.841   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.902   0.392   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.637   0.766   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       4.329   0.317   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.265  -0.506   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.946  -0.972   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       5.690  -0.616   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       5.754   0.207   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.073   0.673   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.521  -0.862   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.458  -1.684   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.138  -2.151   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.882  -1.794   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       6.498   0.563   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       6.562   1.385   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       5.881   1.852   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       5.137   1.496   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.779  -0.632   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9   37                                            
CONECT    9    8    4   10                                            
CONECT   10    9   11                                                 
CONECT   11   10   13   12                                            
CONECT   12   14   15   11                                            
CONECT   13   11   37                                                 
CONECT   14   12   16                                                 
CONECT   15   12                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25   29                                            
CONECT   25   24   26   32                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   33                                            
CONECT   28   27   23   36                                            
CONECT   29   24   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   25                                                 
CONECT   33   27   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   28                                                 
CONECT   37    8   13                                                 
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D05QWJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.932   1.526   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.348   0.814   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.939   0.097   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.115   0.093   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.698   0.805   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.107   1.522   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.706  -0.624   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.881  -0.628   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.464   0.084   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.873   0.801   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1      -0.639   0.080   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.227   0.794   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.598   0.794   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.853   1.579   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.185   2.064   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.482   1.579   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.010   0.080   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.835   0.080   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.248  -0.635   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       2.248   0.794   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       1.835  -1.349   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.248  -2.064   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.073  -2.064   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.486  -1.349   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.073  -0.635   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       3.634  -0.069   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       4.348  -0.481   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       1.777  -1.141   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       2.492  -1.554   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12                                                 
CONECT   12   13   16   11                                            
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   12                                                 
CONECT   17   13   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   21   25                                            
CONECT   20   18                                                      
CONECT   21   19   22   28                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   19   26                                            
CONECT   26   25   27                                                 
CONECT   27   26                                                      
CONECT   28   21   29                                                 
CONECT   29   28                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D05QYN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.717   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.717  -0.413   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.003  -0.826   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.288  -0.413   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.288   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.003   0.824   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.574   0.824   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.574   1.649   0.000  1.00  0.00           O  
HETATM    9  N   UNL     1      -2.859   0.412   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.145   0.824   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.430   0.412   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1      -2.145   1.649   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.716   0.824   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.001   0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.713   0.824   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.713   1.649   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.001   2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.716   1.649   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.428   2.062   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.428   0.412   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.142   0.824   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.857   0.412   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       2.142   1.649   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       2.857  -0.413   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.571  -0.826   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.286  -0.413   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.286   0.412   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.571   0.824   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       5.000  -0.826   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       5.715  -0.413   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       6.429  -0.826   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       7.143  -0.413   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       7.143   0.412   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       6.429   0.824   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       5.715   0.412   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1      -6.431   0.824   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1      -7.143   0.413   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1      -6.431  -0.826   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1      -6.431  -1.648   0.000  1.00  0.00           C  
HETATM   40  O   UNL     1      -5.003  -1.651   0.000  1.00  0.00           O  
HETATM   41  C   UNL     1      -4.291  -2.062   0.000  1.00  0.00           C  
CONECT    1   36    2    6                                            
CONECT    2   38    1    3                                            
CONECT    3   40    2    4                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10   13                                                 
CONECT   12   10                                                      
CONECT   13   11   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16                                                      
CONECT   20   15   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   24   28                                            
CONECT   23   21                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   22                                                 
CONECT   29   26   30                                                 
CONECT   30   29   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
CONECT   36   37    1                                                 
CONECT   37   36                                                      
CONECT   38   39    2                                                 
CONECT   39   38                                                      
CONECT   40   41    3                                                 
CONECT   41   40                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D05RBF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.117  -0.247   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.117  -1.072   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.402  -1.484   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.688  -1.072   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.688  -0.247   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.402   0.166   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -2.903  -1.327   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1      -2.418  -0.659   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.903   0.008   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -1.593  -0.659   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.181   0.055   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.356   0.055   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1      -1.593   0.770   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.057  -0.659   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.881  -0.659   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.294   0.055   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.881   0.770   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.057   0.770   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.119   0.055   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.531  -0.659   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       3.357  -0.659   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.769   0.055   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.357   0.770   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.531   0.770   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1       2.119   1.484   0.000  1.00  0.00           F  
HETATM   26  C   UNL     1       4.594   0.055   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       5.006   0.770   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       5.006  -0.659   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       5.832  -0.659   0.000  1.00  0.00           O  
HETATM   30  H   UNL     1      -5.832   0.166   0.000  1.00  0.00           H  
HETATM   31  C   UNL     1      -5.832  -1.484   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.356  -1.374   0.000  1.00  0.00           C  
CONECT    1    2    6   30                                            
CONECT    2    1    3   31                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11   14   18                                            
CONECT   13   11                                                      
CONECT   14   12   15   32                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   12                                                 
CONECT   19   16   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   19   25                                            
CONECT   25   24                                                      
CONECT   26   22   27   28                                            
CONECT   27   26                                                      
CONECT   28   26   29                                                 
CONECT   29   28                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32   14                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D05REP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.208  -0.685   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.384  -0.685   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.029   0.030   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.384   0.744   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.208   0.744   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.621   0.030   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.854   0.030   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.266  -0.685   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.091  -0.685   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.504   0.030   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.091   0.744   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.266   0.744   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.329   0.030   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       3.742   0.744   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       4.567   0.744   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.979   0.030   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       5.804   0.030   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       6.217   0.744   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       5.804   1.459   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.979   1.459   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       6.217   2.173   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       5.804   2.888   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       7.042   2.173   0.000  1.00  0.00           O  
HETATM   24  N   UNL     1      -2.446   0.030   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.858  -0.685   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.683  -0.685   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.446  -1.399   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.168  -0.017   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.953  -0.272   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.953  -1.097   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.168  -1.352   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -5.620  -1.582   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.374  -1.247   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.042  -1.732   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.955  -2.552   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.202  -2.888   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.534  -2.403   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   24                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   15                                                 
CONECT   21   19   22   23                                            
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24    6   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   28   31                                            
CONECT   27   25                                                      
CONECT   28   26   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30   26                                                 
CONECT   32   30   33   37                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   32                                                 
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D05RJG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.614  -0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.614  -1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.899  -1.856   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.185  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.185  -0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.899  -0.206   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.470  -1.856   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.756  -1.444   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.756  -0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.470  -0.206   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.470   0.619   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -0.041  -1.856   0.000  1.00  0.00           O  
HETATM   13  N   UNL     1      -0.041  -0.206   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.673  -0.619   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.388  -0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.102  -0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.817  -0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.817   0.619   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.102   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.388   0.619   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       0.673   1.031   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       2.102   1.856   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       3.614   0.832   0.000  1.00  0.00           O  
HETATM   24  H   UNL     1       3.531  -0.619   0.000  1.00  0.00           H  
HETATM   25  H   UNL     1       2.102  -1.444   0.000  1.00  0.00           H  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10   13                                            
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    8                                                      
CONECT   13    9   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17   25                                            
CONECT   17   16   18   24                                            
CONECT   18   17   19   23                                            
CONECT   19   18   20   22                                            
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
CONECT   22   19                                                      
CONECT   23   18                                                      
CONECT   24   17                                                      
CONECT   25   16                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D05RKT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       1.264   1.910   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       1.264   1.085   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.049   0.830   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.534   1.498   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       2.049   2.165   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.550   2.323   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.165   1.910   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.165   1.085   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.550   0.673   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -0.879   0.673   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       2.304   0.046   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.093   1.470   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.916   1.513   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.212   0.743   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.571   0.224   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.614  -0.600   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.349  -0.975   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.392  -1.799   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.700  -2.248   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.965  -1.873   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.922  -1.050   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.187  -0.675   0.000  1.00  0.00           O  
HETATM   23  F   UNL     1      -3.127  -2.173   0.000  1.00  0.00           F  
HETATM   24  C   UNL     1      -0.273  -2.323   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.462  -1.948   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.287  -1.948   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       1.699  -1.234   0.000  1.00  0.00           N  
HETATM   28  O   UNL     1       0.269  -1.146   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1       3.127  -0.007   0.000  1.00  0.00           O  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   11                                            
CONECT    4    3    5                                                 
CONECT    5    4    1                                                 
CONECT    6    1    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   12   15                                            
CONECT   11    3   27   29                                            
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10   16                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   16   22                                            
CONECT   22   21                                                      
CONECT   23   18                                                      
CONECT   24   20   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   11                                                 
CONECT   28   25                                                      
CONECT   29   11                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D05RQF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.709   1.125   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.424   0.713   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.424  -0.112   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.709  -0.525   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.995  -0.112   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.995   0.713   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.923   1.922   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.747   1.965   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.042   1.195   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.280  -0.525   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.280  -1.350   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.566  -1.762   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.149  -1.350   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.149  -0.525   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.566  -0.112   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.933  -1.605   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.418  -0.937   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.933  -0.270   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1       2.243  -0.937   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.656  -1.652   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.463  -1.480   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.549  -0.660   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.795  -0.324   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.130  -1.965   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.884  -1.630   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.970  -0.809   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.303  -0.324   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.757   0.782   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.970  -0.014   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    2   28                                            
CONECT   10    5   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   18                                            
CONECT   15   14   10                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   14                                                 
CONECT   19   17   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23   27                                            
CONECT   23   22   19                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28    9   29                                                 
CONECT   29   28                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D05RUG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.206  -0.357   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.206  -1.072   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.031  -1.072   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.444  -0.357   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.031   0.357   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.206   0.357   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.031  -0.357   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.856  -0.357   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.681  -0.357   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.094   0.357   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.919   0.357   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.331  -0.357   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.919  -1.072   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.094  -1.072   0.000  1.00  0.00           C  
HETATM   15 CL   UNL     1      -4.331   1.072   0.000  1.00  0.00          Cl  
HETATM   16  C   UNL     1       2.269  -0.357   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.681  -1.072   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.681   0.357   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.506   0.357   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.919  -0.357   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.919   1.072   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.331   0.357   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.544   0.509   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.830   0.922   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   11                                                      
CONECT   16    4   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19   24                                            
CONECT   19   18   20   21   22                                       
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   19                                                      
CONECT   23   24                                                      
CONECT   24   18   23                                                 
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D05SJB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.160  -0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.160  -1.444   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.874  -1.856   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.589  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.589  -0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.874  -0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.373  -1.699   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.858  -1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.373  -0.364   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.628   0.421   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.413   0.676   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       3.413   1.501   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       2.628   1.756   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.143   1.088   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.555  -0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.555   0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.269   1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.984   0.619   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.984  -0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.269  -0.619   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.698   1.031   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.413   0.619   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.698   1.856   0.000  1.00  0.00           C  
CONECT    1    2    6   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15    1   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22   23                                            
CONECT   22   21                                                      
CONECT   23   21                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D05SMP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.630   0.556   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.908   0.157   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.201   0.583   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.479   0.183   0.000  1.00  0.00           N  
HETATM    5  O   UNL     1      -1.217   1.407   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1      -0.464  -0.641   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.259  -1.040   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.965  -0.615   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.950   0.210   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.228   0.609   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.687  -1.014   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.703  -1.838   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.425  -2.237   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.131  -1.812   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.116  -0.987   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.394  -0.588   0.000  1.00  0.00           C  
HETATM   17  F   UNL     1       2.378   0.237   0.000  1.00  0.00           F  
HETATM   18  C   UNL     1       3.846  -2.224   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.560  -1.812   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       5.275  -2.224   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       5.989  -1.812   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       4.560  -0.987   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1      -2.731   1.374   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.542   1.531   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.941   0.809   0.000  1.00  0.00           C  
HETATM   26  S   UNL     1      -3.377   0.206   0.000  1.00  0.00           S  
HETATM   27  C   UNL     1      -3.941   2.237   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.765   2.237   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.164   1.531   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.765   0.809   0.000  1.00  0.00           C  
HETATM   31 CL   UNL     1      -5.989   1.535   0.000  1.00  0.00          Cl  
HETATM   32  H   UNL     1       0.212   1.434   0.000  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.170  -1.067   0.000  1.00  0.00           H  
CONECT    1    2   23   26                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    5                                            
CONECT    4    3    6   10                                            
CONECT    5    3                                                      
CONECT    6    4    7   33                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    4   32                                            
CONECT   11    8   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   11   17                                            
CONECT   17   16                                                      
CONECT   18   14   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20                                                      
CONECT   22   19                                                      
CONECT   23    1   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26   30                                            
CONECT   26   25    1                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29   25                                                 
CONECT   31   29                                                      
CONECT   32   10                                                      
CONECT   33    6                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D05SOY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.357  -1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.357  -2.269   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.357  -2.681   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.072  -2.269   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.072  -1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.357  -1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.786  -2.681   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.501  -2.269   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.501  -1.444   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.786  -1.031   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.215  -1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.501   0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.501   1.031   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       3.215   1.444   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       3.215   2.269   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.501   2.681   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.786   2.269   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.786   1.444   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       3.930   2.681   0.000  1.00  0.00           O  
HETATM   21  H   UNL     1       1.072  -0.619   0.000  1.00  0.00           H  
HETATM   22  C   UNL     1      -1.072  -2.681   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       0.357  -0.206   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.357   0.206   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.357   1.031   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.072  -0.206   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.215   0.206   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.930  -0.206   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       1.072   2.681   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   22                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10   21                                       
CONECT    6    5    1   23                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   12                                            
CONECT   11    9                                                      
CONECT   12   13   10                                                 
CONECT   13   12   14                                                 
CONECT   14   15   19   13                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   31                                            
CONECT   19   18   14                                                 
CONECT   20   16                                                      
CONECT   21    5                                                      
CONECT   22    2                                                      
CONECT   23    6   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29                                                      
CONECT   31   18                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D05SRL
  -OEChem-09301911182D

 75 79  0     1  0  0  0  0  0999 V2000
    2.0000   -0.2158    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8602   -1.7192    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000    0.2742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961   -6.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -4.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2641   -0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3701   -1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3701    0.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    0.2808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7282   -1.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2689   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2689    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9765   -2.2637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7747   -2.2544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7747    0.7544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9765    0.7637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932   -2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4677    0.3908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8532   -1.1647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2550   -1.8545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6067   -3.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2082   -2.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0520   -2.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6535   -3.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2082   -4.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6067   -4.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6535   -4.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0520   -4.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0742   -0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4727    0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2678   -0.5346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932   -6.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2683    0.7542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4712    0.7573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9380   -1.8059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3392   -1.1172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4592    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651    4.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4592    4.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651    6.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4592    6.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    6.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3 16  1  0  0  0  0
  3 25  1  0  0  0  0
  4 18  2  0  0  0  0
  5 21  2  0  0  0  0
  6 27  2  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  7 21  1  0  0  0  0
  8 18  1  0  0  0  0
  8 21  1  0  0  0  0
  8 24  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 27  1  0  0  0  0
 10 36  3  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 42  1  0  0  0  0
 12 14  1  0  0  0  0
 12 18  1  0  0  0  0
 12 43  1  0  0  0  0
 13 17  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 16  1  0  0  0  0
 14 46  1  0  0  0  0
 14 47  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 48  1  0  0  0  0
 16 17  1  0  0  0  0
 16 49  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 19 22  1  0  0  0  0
 19 52  1  0  0  0  0
 19 53  1  0  0  0  0
 20 23  1  0  0  0  0
 20 54  1  0  0  0  0
 20 55  1  0  0  0  0
 22 56  1  0  0  0  0
 22 57  1  0  0  0  0
 23 58  1  0  0  0  0
 23 59  1  0  0  0  0
 24 26  1  0  0  0  0
 24 60  1  0  0  0  0
 24 61  1  0  0  0  0
 25 28  1  0  0  0  0
 25 29  1  0  0  0  0
 25 62  1  0  0  0  0
 26 30  2  0  0  0  0
 26 31  1  0  0  0  0
 27 63  1  0  0  0  0
 28 64  1  0  0  0  0
 28 65  1  0  0  0  0
 29 66  1  0  0  0  0
 29 67  1  0  0  0  0
 30 32  1  0  0  0  0
 30 68  1  0  0  0  0
 31 33  2  0  0  0  0
 31 69  1  0  0  0  0
 32 34  2  0  0  0  0
 32 36  1  0  0  0  0
 33 34  1  0  0  0  0
 33 70  1  0  0  0  0
 34 35  1  0  0  0  0
 35 37  2  0  0  0  0
 35 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 71  1  0  0  0  0
 38 40  2  0  0  0  0
 38 72  1  0  0  0  0
 39 41  2  0  0  0  0
 39 73  1  0  0  0  0
 40 41  1  0  0  0  0
 40 74  1  0  0  0  0
 41 75  1  0  0  0  0
M  END

$$$$
D05SWL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.013  -0.312   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.728   0.101   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.442  -0.312   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       2.157   0.101   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.701   0.101   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.701   0.926   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.416   1.338   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.130   0.926   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.130   0.101   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.416  -0.312   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.845  -0.312   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.845  -1.137   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.130  -1.549   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.416  -1.137   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.728   0.926   0.000  1.00  0.00           O  
HETATM   16  H   UNL     1      -3.559   0.101   0.000  1.00  0.00           H  
HETATM   17  C   UNL     1       2.871  -0.312   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.586   0.101   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.586   0.926   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.871   1.338   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.157   0.926   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.043  -1.119   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.863  -1.205   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.199  -0.451   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       4.276  -1.919   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.622   2.261   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -0.907   1.848   0.000  1.00  0.00           F  
HETATM   28  C   UNL     1      -3.561  -1.546   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1      -3.149  -2.261   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -4.276  -1.959   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -3.974  -0.832   0.000  1.00  0.00           F  
HETATM   32  C   UNL     1      -0.797   2.110   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1      -0.082   1.697   0.000  1.00  0.00           F  
CONECT    1    2    5                                                 
CONECT    2    1    3   15                                            
CONECT    3    2    4                                                 
CONECT    4    3   17   21                                            
CONECT    5    1    6   10                                            
CONECT    6    5    7                                                 
CONECT    7    6    8   26   32                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12   16                                            
CONECT   12   11   13   28                                            
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15    2                                                      
CONECT   16   11                                                      
CONECT   17    4   18   22                                            
CONECT   18   17   19   24                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20    4                                                 
CONECT   22   17   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   18                                                 
CONECT   25   23                                                      
CONECT   26    7   27                                                 
CONECT   27   26                                                      
CONECT   28   12   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
CONECT   32    7   33                                                 
CONECT   33   32                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D05TBZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  F   UNL     1      -8.462  -1.441   0.000  1.00  0.00           F  
HETATM    2  C   UNL     1      -7.747  -1.854   0.000  1.00  0.00           C  
HETATM    3  F   UNL     1      -7.747  -1.029   0.000  1.00  0.00           F  
HETATM    4  F   UNL     1      -8.462  -2.266   0.000  1.00  0.00           F  
HETATM    5  O   UNL     1      -7.033  -2.266   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1      -6.318  -1.854   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.604  -2.266   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.889  -1.854   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.889  -1.029   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.604  -0.616   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.318  -1.029   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.175  -2.266   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.460  -1.854   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.460  -1.029   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1      -2.746  -2.266   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.031  -1.854   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.317  -2.266   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.603  -1.854   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.603  -1.029   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.317  -0.616   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1      -2.031  -1.029   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       0.112  -0.616   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.826  -1.029   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.541  -0.616   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.255  -1.029   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.970  -0.616   0.000  1.00  0.00           C  
HETATM   27  S   UNL     1       3.767  -0.830   0.000  1.00  0.00           S  
HETATM   28  C   UNL     1       4.216  -0.138   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       3.697   0.503   0.000  1.00  0.00           N  
HETATM   30  N   UNL     1       2.927   0.208   0.000  1.00  0.00           N  
HETATM   31  N   UNL     1       5.041  -0.138   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       5.624   0.445   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       6.449   0.445   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       7.033   1.029   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       7.747   0.616   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1       8.462   1.029   0.000  1.00  0.00           N  
HETATM   37  C   UNL     1       8.462   1.854   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       7.747   2.266   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       7.033   1.854   0.000  1.00  0.00           C  
HETATM   40  O   UNL     1       5.212   1.160   0.000  1.00  0.00           O  
CONECT    1    2                                                      
CONECT    2    1    3    4    5                                       
CONECT    3    2                                                      
CONECT    4    2                                                      
CONECT    5    2    6                                                 
CONECT    6    5    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    6                                                 
CONECT   12    8   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   19   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   26                                                 
CONECT   31   28   32                                                 
CONECT   32   31   33   40                                            
CONECT   33   32   34                                                 
CONECT   34   33   35   39                                            
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   34                                                 
CONECT   40   32                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D05TIP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.838   1.676   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.838   0.854   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.126   0.443   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.414   0.854   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.414   1.676   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.126   2.087   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.632   0.600   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.149   1.265   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.632   1.930   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1      -0.378  -0.182   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1       0.673   1.265   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.426  -0.353   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.680  -1.135   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.484  -1.306   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.034  -0.695   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.780   0.087   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.976   0.258   0.000  1.00  0.00           C  
HETATM   18  F   UNL     1       2.838  -0.866   0.000  1.00  0.00           F  
HETATM   19 CL   UNL     1       2.330   0.698   0.000  1.00  0.00          Cl  
HETATM   20 CL   UNL     1       1.738  -2.087   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9   11                                            
CONECT    9    8    5                                                 
CONECT   10    7   12                                                 
CONECT   11    8                                                      
CONECT   12   10   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   20                                            
CONECT   15   14   16   18                                            
CONECT   16   15   17   19                                            
CONECT   17   16   12                                                 
CONECT   18   15                                                      
CONECT   19   16                                                      
CONECT   20   14                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D05TMN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.316  -1.077   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.888  -1.783   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.064  -1.765   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.333  -1.041   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.095  -0.336   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.919  -0.354   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.143   0.454   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.535   0.924   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.191   0.425   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.141  -1.095   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.922   0.726   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.547   0.187   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1       1.076   1.536   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.629  -0.430   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.413  -0.689   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.413  -1.514   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.629  -1.765   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.326   0.459   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.480   1.270   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.259   1.542   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.413   2.352   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.788   2.891   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.009   2.619   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.855   1.808   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.362  -2.478   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1      -0.353  -2.891   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1      -0.051  -1.764   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       1.076  -2.066   0.000  1.00  0.00           F  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   25                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1    9                                            
CONECT    7    5    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8    6                                                 
CONECT   10    1   14   17                                            
CONECT   11    7   12   13                                            
CONECT   12   11   18                                                 
CONECT   13   11                                                      
CONECT   14   10   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   10                                                 
CONECT   18   12   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25    3   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D05TQB
  -OEChem-09301911212D

 37 41  0     0  0  0  0  0  0999 V2000
    6.7619    0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    2.4221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    2.3608    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -1.3560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1859   -1.7611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1110   -2.9590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    2.4221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279    1.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279    2.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -0.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -0.9435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103   -2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318   -1.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0828   -2.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6014    1.8232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4158    1.3394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2385    1.8144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2385    3.0297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4158    3.5047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519    2.9590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815    0.0560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7144   -0.8157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2177   -2.3555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.7460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5443   -3.1639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  2 30  1  0  0  0  0
  3  6  1  0  0  0  0
  3 14  1  0  0  0  0
  3 16  1  0  0  0  0
  4 13  1  0  0  0  0
  4 16  2  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  5 20  1  0  0  0  0
  6 23  2  0  0  0  0
  7 24  2  0  0  0  0
  8 20  2  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 31  1  0  0  0  0
 18 21  2  0  0  0  0
 18 32  1  0  0  0  0
 19 22  2  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 21 34  1  0  0  0  0
 22 23  1  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
 24 37  1  0  0  0  0
M  END

$$$$
D05TQG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.002   0.689   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.915  -0.131   0.000  1.00  0.00           N  
HETATM    3  N   UNL     1      -0.108  -0.303   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.304   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.248   1.025   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.528  -0.683   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.313  -0.428   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.926  -0.980   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.755  -1.787   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.970  -2.042   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.357  -1.490   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -0.572  -1.745   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1       0.038   1.832   0.000  1.00  0.00           C  
HETATM   14 CL   UNL     1      -3.368  -2.339   0.000  1.00  0.00          Cl  
HETATM   15  C   UNL     1       1.125   0.498   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       1.677  -0.115   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       2.430   0.221   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.344   1.041   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.537   1.212   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.716   1.102   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.716   1.927   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.430   2.339   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.145   1.927   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.145   1.102   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.430   0.689   0.000  1.00  0.00           C  
HETATM   26 CL   UNL     1      -3.859   2.339   0.000  1.00  0.00          Cl  
HETATM   27  C   UNL     1       3.145  -0.192   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.859   0.221   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.145  -1.017   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.859  -0.605   0.000  1.00  0.00           C  
CONECT    1    2    5   20                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   15                                            
CONECT    5    4    1   13                                            
CONECT    6    2    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10    6   12                                            
CONECT   12   11                                                      
CONECT   13    5                                                      
CONECT   14    9                                                      
CONECT   15    4   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   27                                            
CONECT   18   17   19                                                 
CONECT   19   18   15                                                 
CONECT   20    1   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23                                                      
CONECT   27   17   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D05TTX
  -OEChem-09301911222D

 41 43  0     0  0  0  0  0  0999 V2000
   14.7350    0.8075    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   11.2632   -1.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4931   -1.1897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4931    0.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991   -0.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    0.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1312   -0.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1350    0.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9953   -1.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0030    0.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8632   -0.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8671    0.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4859    1.4996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9349    0.6779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1131   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3531   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    1.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    1.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5993    0.6296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9929   -1.8058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0054    1.4342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3989   -1.0012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 16  1  0  0  0  0
  2 20  1  0  0  0  0
  3 13  1  0  0  0  0
  3 34  1  0  0  0  0
  4 19  2  0  0  0  0
  5 27  1  0  0  0  0
  5 41  1  0  0  0  0
  6 27  2  0  0  0  0
  7 12  1  0  0  0  0
  7 14  2  0  0  0  0
  8 11  1  0  0  0  0
  8 16  2  0  0  0  0
  9 19  1  0  0  0  0
  9 21  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 15 17  2  0  0  0  0
 15 28  1  0  0  0  0
 16 17  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 27  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 24  1  0  0  0  0
 22 37  1  0  0  0  0
 23 25  2  0  0  0  0
 23 38  1  0  0  0  0
 24 26  2  0  0  0  0
 24 39  1  0  0  0  0
 25 26  1  0  0  0  0
 25 40  1  0  0  0  0
M  END

$$$$
D05TYI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.619   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.619  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.904  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.190  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.190   0.206   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.904   0.619   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1      -3.403   0.461   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.888  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.403  -0.874   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.475  -1.031   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.239  -0.619   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.954  -1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.954  -1.856   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.668  -2.269   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.383  -1.856   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.383  -1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.668  -0.619   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.239  -2.269   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       3.097  -0.619   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       3.812  -1.031   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.526  -0.619   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       3.812  -1.856   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       5.241  -1.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       5.955  -0.619   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.955   0.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       5.241   0.619   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.526   0.206   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.685   0.007   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -5.268  -0.576   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -6.065  -0.363   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.685   0.832   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       5.240   1.444   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1       4.415   1.444   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       5.240   2.269   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1       6.065   1.444   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9   28                                            
CONECT    9    8    2                                                 
CONECT   10    4   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   12                                                 
CONECT   18   13                                                      
CONECT   19   16   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   23   27                                            
CONECT   22   20                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   32                                            
CONECT   27   26   21                                                 
CONECT   28    8   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29                                                      
CONECT   31   28                                                      
CONECT   32   26   33   34   35                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D05UGL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.357   1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.357   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.357   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.072   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.072   1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.357   1.650   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       0.357   2.475   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.072   0.000   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.786   0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.501   0.000   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.786   0.000   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.786  -0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.501  -1.238   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.501  -2.062   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.215  -2.475   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.930  -2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.930  -1.238   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.215  -0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.215   0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.930   0.000   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.930  -0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.215  -1.237   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.501  -0.825   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.644  -1.238   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1       4.644  -2.475   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   11                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    2    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   19   23                                            
CONECT   11    4   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   25                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   10   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   10                                                 
CONECT   24   21                                                      
CONECT   25   16                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D05UGS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.216  -1.219   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.216  -2.044   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.502  -2.457   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.788  -2.044   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.788  -1.219   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.502  -0.807   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.073  -2.457   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.359  -2.044   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.359  -1.219   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.073  -0.807   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.644  -0.807   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.644   0.018   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1       0.070  -1.219   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.023   0.503   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.232   1.288   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.057   1.288   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.312   0.503   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.808   0.248   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.421   0.800   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.644  -2.457   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.206   0.545   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.819   1.098   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.603   0.843   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.216   1.395   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.045   2.202   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.260   2.457   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.647   1.905   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       0.980  -0.558   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   20                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12   13                                            
CONECT   12   11   14   17                                            
CONECT   13   11                                                      
CONECT   14   12   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   14   19   28                                            
CONECT   19   18   21                                                 
CONECT   20    8                                                      
CONECT   21   19   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   18                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D05UJQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   0.619   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.357  -1.031   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.357  -0.619   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.072  -1.031   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.786  -0.619   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.786   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.072   0.619   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.357   0.206   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.501  -1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.501  -1.856   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.215  -2.269   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.930  -1.856   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.930  -1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.215  -0.619   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1       3.215   0.206   0.000  1.00  0.00           F  
HETATM   21  C   UNL     1      -3.215  -1.031   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1      -3.930  -0.619   0.000  1.00  0.00           S  
HETATM   23  O   UNL     1      -3.517   0.096   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.342  -1.333   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.644  -0.206   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1       2.501   0.619   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1       4.644  -2.269   0.000  1.00  0.00           F  
HETATM   28  S   UNL     1      -1.786   1.444   0.000  1.00  0.00           S  
HETATM   29  F   UNL     1      -2.501   1.031   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -2.501   1.856   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -1.786   2.269   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -1.072   1.856   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -1.072   1.031   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   21                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   28                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12   26                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   27                                            
CONECT   18   17   19                                                 
CONECT   19   18   14   20                                            
CONECT   20   19                                                      
CONECT   21    2   22                                                 
CONECT   22   21   23   24   25                                       
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25   22                                                      
CONECT   26   11                                                      
CONECT   27   17                                                      
CONECT   28    6   29   30   31                                       
CONECT   28   32   33                                                 
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
CONECT   32   28                                                      
CONECT   33   28                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D05UNM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.551   0.240   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.551  -0.585   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.837  -0.997   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.122  -0.585   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.122   0.240   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.837   0.653   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.408   0.653   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.306   0.240   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -0.408   1.478   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.021   0.653   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.736   0.240   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.450   0.653   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.450   1.478   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.736   1.890   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.021   1.478   0.000  1.00  0.00           C  
HETATM   16 CL   UNL     1       3.164   1.890   0.000  1.00  0.00          Cl  
HETATM   17 CL   UNL     1       3.164   0.240   0.000  1.00  0.00          Cl  
HETATM   18  N   UNL     1      -3.164  -1.137   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1      -2.829  -1.890   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.008  -1.804   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4   20                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13                                                      
CONECT   17   12                                                      
CONECT   18    2   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19    3                                                 
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D05UNO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.294  -0.682   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.294  -1.507   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.580  -1.920   0.000  1.00  0.00           N  
HETATM    4  N   UNL     1      -1.865  -1.507   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.865  -0.682   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.580  -0.270   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.080  -1.762   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.596  -1.095   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.080  -0.427   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.580   0.555   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.825   0.357   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.041   0.612   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.041   1.437   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -0.825   1.692   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.310   1.025   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.627   0.127   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.627   1.922   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.540  -0.693   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.208  -1.178   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.961  -0.843   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.048  -0.022   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.380   0.463   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.825  -2.547   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.996   1.139   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.580   1.722   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.163   1.139   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -2.580   2.547   0.000  1.00  0.00           F  
HETATM   28  C   UNL     1       2.629  -1.328   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1       2.146  -1.993   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1       3.294  -1.811   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1       3.112  -0.662   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8   23                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   11                                            
CONECT   10    6   24   26                                            
CONECT   11    9   12   15                                            
CONECT   12   11   13   16                                            
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16   12   18   22                                            
CONECT   17   13                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   28   19   21                                            
CONECT   21   20   22                                                 
CONECT   22   21   16                                                 
CONECT   23    7                                                      
CONECT   24   10   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   10                                                 
CONECT   27   25                                                      
CONECT   28   29   30   31   20                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D05UXK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.860  -0.645   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.860  -1.470   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.575  -1.882   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.575  -2.707   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.860  -3.120   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.146  -2.707   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.146  -1.882   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.361  -2.962   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.124  -2.295   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.361  -1.627   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.146  -0.232   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.146   0.593   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.860   1.005   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.575   0.593   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.575  -0.232   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.949  -2.295   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.434  -2.962   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.218  -2.707   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1       2.218  -1.882   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.434  -1.627   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.860   1.830   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.146   2.243   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.375   1.892   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.375   1.067   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       0.448   2.243   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       1.156   1.819   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       1.778   2.361   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       1.454   3.120   0.000  1.00  0.00           O  
HETATM   29  N   UNL     1       0.633   3.047   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       2.492   1.948   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.207   1.536   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.706   1.151   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.289   2.162   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.933  -1.470   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1      -3.289   1.005   0.000  1.00  0.00           F  
CONECT    1    2   11   15                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7    8                                            
CONECT    7    6    2   10                                            
CONECT    8    6    9                                                 
CONECT    9    8   10   16                                            
CONECT   10    9    7                                                 
CONECT   11    1   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   21                                            
CONECT   14   13   15   35                                            
CONECT   15   14    1                                                 
CONECT   16    9   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   34                                            
CONECT   20   19   16                                                 
CONECT   21   13   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23                                                      
CONECT   25   23   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   25                                                 
CONECT   30   27   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
CONECT   34   19                                                      
CONECT   35   14                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D05VBJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.072  -0.996   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.072  -1.821   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.357  -2.234   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.357  -1.821   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.357  -0.996   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.357  -0.584   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       1.072  -2.234   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.786  -1.821   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.786  -0.996   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.072  -0.584   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.786  -2.234   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.529   0.223   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.349   0.309   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -1.685  -0.444   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.023   0.836   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.830   0.665   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.382   1.278   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.127   2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.320   2.234   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.232   1.621   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1      -1.039   1.792   0.000  1.00  0.00          Cl  
CONECT    1    2    6   14                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   12                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    2                                                      
CONECT   12    6   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    1                                                 
CONECT   15   12   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D05VIN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.145   1.927   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.145   1.102   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.430   0.689   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.716   1.102   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.716   1.927   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.430   2.339   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.002   0.689   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.915  -0.131   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.108  -0.303   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.304   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.248   1.025   0.000  1.00  0.00           C  
HETATM   12 BR   UNL     1      -3.859   2.339   0.000  1.00  0.00          Br  
HETATM   13  C   UNL     1      -1.528  -0.683   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.313  -0.428   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.926  -0.980   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.755  -1.787   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.970  -2.042   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.357  -1.490   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -0.572  -1.745   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1      -0.076   1.832   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1      -3.368  -2.339   0.000  1.00  0.00          Cl  
HETATM   22  C   UNL     1       0.708   2.087   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.125   0.498   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       1.677  -0.115   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       2.430   0.221   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.344   1.041   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       1.537   1.212   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       3.145  -0.192   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.859   0.221   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.145  -1.017   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.859  -0.605   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   23                                            
CONECT   11   10    7   20                                            
CONECT   12    1                                                      
CONECT   13    8   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   13   19                                            
CONECT   19   18                                                      
CONECT   20   11   22                                                 
CONECT   21   16                                                      
CONECT   22   20                                                      
CONECT   23   10   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   23                                                 
CONECT   28   25   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D05VVZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.194  -1.217   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.194  -2.042   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       2.909  -2.455   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       3.623  -2.042   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       3.623  -1.217   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.909  -0.805   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       4.236  -0.665   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       3.901   0.088   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       3.080   0.002   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.480  -0.805   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.765  -1.217   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.765  -2.042   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.480  -2.455   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.528   0.615   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.783   1.400   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.231   2.013   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.424   1.842   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.169   1.057   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.721   0.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.872   2.455   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.065   2.283   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       0.051  -0.805   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.051   0.020   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.664   0.433   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.378   0.020   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.378  -0.805   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.664  -1.217   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       0.765   0.433   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       1.480   0.020   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.093   0.433   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -2.807   0.020   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.522   0.433   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.236   0.020   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.236  -0.805   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.522  -1.217   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1      -2.807  -0.805   0.000  1.00  0.00           N  
HETATM   37  F   UNL     1       0.051  -2.455   0.000  1.00  0.00           F  
CONECT    1    2    6   10                                            
CONECT    2    1    3   13                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1    9                                            
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    6   14                                            
CONECT   10    1   11                                                 
CONECT   11   10   12   22                                            
CONECT   12   11   13   37                                            
CONECT   13   12    2                                                 
CONECT   14    9   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21                                                 
CONECT   21   20                                                      
CONECT   22   11   23   27                                            
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   23   29                                                 
CONECT   29   28                                                      
CONECT   30   25   31                                                 
CONECT   31   30   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
CONECT   37   12                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D05VWD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.206  -0.357   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.206  -1.072   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.031  -1.072   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.444  -0.357   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.031   0.357   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.206   0.357   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.031  -0.357   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.856  -0.357   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.681  -0.357   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.094   0.357   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.919   0.357   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.331  -0.357   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.919  -1.072   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.094  -1.072   0.000  1.00  0.00           C  
HETATM   15  F   UNL     1      -4.331   1.072   0.000  1.00  0.00           F  
HETATM   16  C   UNL     1       2.269  -0.357   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.681  -1.072   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.681   0.357   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.506   0.357   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.919  -0.357   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.919   1.072   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.331   0.357   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.544   0.510   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.830   0.923   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   11                                                      
CONECT   16    4   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19   24                                            
CONECT   19   18   20   21   22                                       
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   19                                                      
CONECT   23   24                                                      
CONECT   24   18   23                                                 
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D05VXK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.765   0.273   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.051  -0.139   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.336   0.273   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.336   1.098   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.051   1.511   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.378  -0.139   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.093   0.273   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       0.378  -0.964   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       1.807  -0.139   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       2.522   0.273   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       2.522   1.098   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.807   1.511   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.093   1.098   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.306   0.018   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.791   0.686   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.306   1.353   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.561  -0.766   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       4.616   0.686   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.009  -1.379   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.264  -2.164   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.071  -2.336   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.623  -1.723   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.368  -0.938   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.765   1.098   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.480   1.511   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.194   1.098   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.480   2.336   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.909   1.511   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.623   1.098   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.623   0.273   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.909  -0.139   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.194   0.273   0.000  1.00  0.00           C  
CONECT    1    2   24                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4   24                                                 
CONECT    6    3    7    8                                            
CONECT    7    6    9   13                                            
CONECT    8    6                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12    7                                                 
CONECT   14   10   15   17                                            
CONECT   15   14   16   18                                            
CONECT   16   15   11                                                 
CONECT   17   14   19   23                                            
CONECT   18   15                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   17                                                 
CONECT   24    5    1   25                                            
CONECT   25   24   26   27                                            
CONECT   26   25   28   32                                            
CONECT   27   25                                                      
CONECT   28   26   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   26                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D05WCW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.870   1.097   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.870   0.272   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.156  -0.141   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.441   0.272   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.441   1.097   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.156   1.509   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.727  -0.141   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.727  -0.966   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.012  -1.378   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.298  -0.966   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.298  -0.141   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.012   0.272   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.583  -1.378   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.131  -0.966   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.131  -0.141   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.583   0.272   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.441  -1.378   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.156  -0.966   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.870  -1.378   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.870  -2.203   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.156  -2.616   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.441  -2.203   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       0.846   0.272   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.560  -0.141   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.274   0.272   0.000  1.00  0.00           N  
HETATM   26  O   UNL     1       1.560  -0.966   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       2.989  -0.141   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       3.075  -0.961   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1       3.882  -1.133   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       4.295  -0.418   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       3.743   0.195   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       3.914   1.002   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.699   1.257   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.870   2.064   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.257   2.616   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.473   2.361   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.301   1.554   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9   17                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12   16                                            
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   23                                            
CONECT   16   15   11                                                 
CONECT   17    8   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   15   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   27                                                 
CONECT   26   24                                                      
CONECT   27   25   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   27   32                                            
CONECT   32   31   33   37                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   32                                                 
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END

$$$$

$$$$

$$$$
D05WDQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.200  -0.328   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.375  -0.333   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.037   0.382   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.863   0.382   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.117   1.166   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.450   1.651   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.217   1.166   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.275  -0.333   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.100  -0.333   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.513  -1.047   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.513   0.382   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       2.100  -1.762   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.513  -2.476   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.337  -2.476   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.750  -1.762   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.337  -1.047   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.684   0.340   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.469   0.085   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.469  -0.740   0.000  1.00  0.00           C  
HETATM   20  S   UNL     1      -1.684  -0.995   0.000  1.00  0.00           S  
HETATM   21  C   UNL     1      -3.184   0.498   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.898   0.085   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.898  -0.740   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.184  -1.152   0.000  1.00  0.00           C  
HETATM   25 CL   UNL     1      -4.613  -1.152   0.000  1.00  0.00          Cl  
HETATM   26  F   UNL     1       0.450   2.476   0.000  1.00  0.00           F  
HETATM   27  O   UNL     1       3.898  -0.481   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       4.613  -0.894   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       2.042  -1.554   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       2.756  -1.966   0.000  1.00  0.00           C  
CONECT    1    2   17   20                                            
CONECT    2    1    3                                                 
CONECT    3    4    7    2                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7   26                                            
CONECT    7    6    3                                                 
CONECT    8    9    4                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   12   16                                            
CONECT   11    9                                                      
CONECT   12   10   13   29                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   10   27                                            
CONECT   17    1   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20   24                                            
CONECT   20   19    1                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   19                                                 
CONECT   25   23                                                      
CONECT   26    6                                                      
CONECT   27   16   28                                                 
CONECT   28   27                                                      
CONECT   29   12   30                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D05WPG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.716  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.716  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.001  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.287  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.287  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.001  -0.412   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -6.430  -0.412   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1      -6.430  -2.062   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -3.572  -0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.858  -0.825   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.143  -0.412   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.429  -0.825   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1      -2.143   0.412   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.715  -0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.000  -0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.715  -0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.429  -0.825   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       0.715   0.412   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.143  -0.412   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.858  -0.825   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       3.572  -0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.287  -0.825   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       5.001  -0.412   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       5.001   0.412   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       4.287   0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.572   0.412   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.287  -1.650   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.001  -2.062   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.716  -1.650   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.716  -0.825   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.287   1.650   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.572   2.062   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.858   1.650   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.858   0.825   0.000  1.00  0.00           C  
HETATM   35 CL   UNL     1       6.430  -2.062   0.000  1.00  0.00          Cl  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    2                                                      
CONECT    9    5   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11   14                                                 
CONECT   13   11                                                      
CONECT   14   12   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   19                                                 
CONECT   18   16                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23   27                                            
CONECT   23   22   24   30                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   31                                            
CONECT   26   25   21   34                                            
CONECT   27   22   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   35                                            
CONECT   30   29   23                                                 
CONECT   31   25   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   26                                                 
CONECT   35   29                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D05WTW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930  -0.172   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930  -0.997   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.215  -1.410   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.501  -0.997   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501  -0.172   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215   0.240   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.044  -2.217   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -2.223  -2.303   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.888  -1.549   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.081  -1.378   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.786   0.240   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.072  -0.172   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.357   0.240   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.357   1.065   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.072   1.478   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.786   1.065   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.357   1.478   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.072   1.065   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.786   1.478   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       1.072   0.240   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.501   1.065   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.501   0.240   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.215  -0.172   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.930   0.240   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.930   1.065   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.215   1.478   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       3.215   2.303   0.000  1.00  0.00           F  
HETATM   28  C   UNL     1       3.215  -0.997   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    4   10                                            
CONECT   10    9                                                      
CONECT   11    5   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   21                                                 
CONECT   20   18                                                      
CONECT   21   19   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21   27                                            
CONECT   27   26                                                      
CONECT   28   23                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D05WXM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429   0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.000  -1.444   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.715  -1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.715  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.000   0.206   0.000  1.00  0.00           C  
HETATM   11 CL   UNL     1      -2.858   0.206   0.000  1.00  0.00          Cl  
HETATM   12  C   UNL     1       1.429  -1.444   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.143  -1.031   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       2.143  -0.206   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.429   0.206   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.756   0.346   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       2.421   1.099   0.000  1.00  0.00           N  
HETATM   18  N   UNL     1       1.601   1.013   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.429  -2.269   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.143  -2.681   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.000   1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.715   1.444   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.715   2.269   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.000   2.681   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.715   2.269   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.715   1.444   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -2.858  -1.444   0.000  1.00  0.00           F  
HETATM   28  C   UNL     1       2.858  -1.444   0.000  1.00  0.00           C  
CONECT    1    2    6   11                                            
CONECT    2    1    3   27                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10   15                                            
CONECT   10    9    5   21                                            
CONECT   11    1                                                      
CONECT   12    8   13   19                                            
CONECT   13   12   28                                                 
CONECT   14   15   16                                                 
CONECT   15   14    9   18                                            
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   15                                                 
CONECT   19   12   20                                                 
CONECT   20   19                                                      
CONECT   21   10   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27    2                                                      
CONECT   28   13                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D05XAH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.015  -0.384   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.301   0.028   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.586  -0.384   0.000  1.00  0.00           N  
HETATM    4  N   UNL     1      -0.872   0.028   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.157  -0.384   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.157  -1.209   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1       0.557   0.028   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.272  -0.384   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.986   0.028   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.700  -0.384   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.415   0.028   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.415   0.853   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.700   1.266   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.986   0.853   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.769  -0.049   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.321  -0.662   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.908  -1.376   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.102  -1.205   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -5.146  -0.662   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.558  -1.376   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.146  -2.091   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.321  -2.091   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.130   1.266   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       4.130   2.091   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1       4.844   0.853   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       5.558   1.266   0.000  1.00  0.00           C  
CONECT    1    2   15   18                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5                                                      
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   23                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    1   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18   22                                            
CONECT   18   17    1                                                 
CONECT   19   16   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   12   24   25                                            
CONECT   24   23                                                      
CONECT   25   23   26                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D05XAT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.659  -1.913   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.484  -1.913   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.897  -1.198   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.484  -0.484   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.659  -0.484   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.247  -1.198   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.897   0.231   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.722   0.231   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.134   0.945   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.722   1.660   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.897   1.660   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.484   0.945   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.247   0.231   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.578   0.231   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.991  -0.484   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.991   0.945   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.705   1.358   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.420   0.945   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.420   0.120   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1      -3.134   1.358   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.038   1.843   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.293   2.627   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.118   2.627   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.373   1.843   0.000  1.00  0.00           C  
HETATM   25 CL   UNL     1       0.247  -2.627   0.000  1.00  0.00          Cl  
HETATM   26  F   UNL     1       3.134   2.374   0.000  1.00  0.00           F  
CONECT    1    2    6   25                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   13                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   26                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    5   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18   21   24                                       
CONECT   18   17   19   20                                            
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   17   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   17                                                 
CONECT   25    1                                                      
CONECT   26   10                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D05XXS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.072   1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.072   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.357   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.357   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.357   1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.357   1.650   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.072   0.000   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.072  -0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.786   0.412   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       1.786   1.238   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       2.501   0.000   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.501  -0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.786   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.786  -0.825   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.501   0.412   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.501  -1.238   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.501  -2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.786  -2.475   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.072  -2.062   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.072  -1.238   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.357   2.475   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   21                                            
CONECT    7    4    8    9                                            
CONECT    8    7                                                      
CONECT    9    7   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   12                                                 
CONECT   12   11                                                      
CONECT   13    2   14   15                                            
CONECT   14   13   16   20                                            
CONECT   15   13                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   14                                                 
CONECT   21    6                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D05YAD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.421   1.532   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.247   1.532   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.501   0.748   0.000  1.00  0.00           C  
HETATM    4  S   UNL     1      -1.834   0.263   0.000  1.00  0.00           S  
HETATM    5  C   UNL     1      -1.167   0.748   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.382   0.493   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       0.231   1.045   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.946   0.632   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.660   1.045   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       1.660   1.870   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.946   2.283   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.231   1.870   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.286   0.493   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.899   1.045   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -4.684   0.790   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.398   1.203   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.113   0.790   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.113  -0.035   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.398  -0.447   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.684  -0.035   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.398   2.028   0.000  1.00  0.00           C  
HETATM   22 CL   UNL     1      -3.969  -0.447   0.000  1.00  0.00          Cl  
HETATM   23  O   UNL     1      -3.286  -0.332   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       0.946   3.107   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.375   0.632   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       6.113  -1.870   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       5.398  -2.283   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.684  -1.870   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.969  -2.283   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.255  -1.870   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.540  -2.283   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.826  -1.870   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       1.826  -1.045   0.000  1.00  0.00           O  
HETATM   34  N   UNL     1       1.111  -2.283   0.000  1.00  0.00           N  
HETATM   35  O   UNL     1       1.111  -3.107   0.000  1.00  0.00           O  
CONECT    1    2    5                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   13                                            
CONECT    4    3    5                                                 
CONECT    5    4    1    6                                            
CONECT    6    5    7                                                 
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   25                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   24                                            
CONECT   12   11    7                                                 
CONECT   13    3   14   23                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   22                                            
CONECT   21   16                                                      
CONECT   22   20                                                      
CONECT   23   13                                                      
CONECT   24   11                                                      
CONECT   25    9   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   34                                            
CONECT   33   32                                                      
CONECT   34   32   35                                                 
CONECT   35   34                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D05YBG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858   0.085   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858  -0.740   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.143  -1.152   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.429  -0.740   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429   0.085   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143   0.498   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.715  -1.152   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.000  -0.740   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.715  -1.152   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.429  -0.740   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.143  -1.152   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.143   1.323   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.858   1.735   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1      -1.429   1.735   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       2.858  -0.740   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.727  -1.735   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   12                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   15   16                                            
CONECT   12    6   13   14                                            
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15   11                                                      
CONECT   16   11                                                      
MASTER        0    0    0    0    0    0    0    0   16    0   16    0
END
M  END

$$$$
D05YDJ
  -OEChem-09301911202D

 55 58  0     0  0  0  0  0  0999 V2000
    4.5981    1.1036    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.6171   -2.1035    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.1529   -3.1035    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4209   -0.1036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    0.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    1.9696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8850   -3.1035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1171   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1171   -2.9696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7510   -1.6036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1529    0.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6529    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6530    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6888   -0.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7229   -0.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4300    0.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1529   -0.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5549   -0.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869   -0.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0190   -0.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869   -1.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0190   -1.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1529   -2.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8850   -2.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4831   -2.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7518    0.7360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2356    1.5504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7606    2.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5453    2.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0703    1.5504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1807    0.2739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1241   -0.5228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8834   -0.9612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0289    1.0228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2696    1.4612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1563   -1.0785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9534   -1.0785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5559   -0.2936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500   -1.9136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.9136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.7236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.2936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.9136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7510   -0.9836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1731   -3.1405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0200   -2.9136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7931   -2.0666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1 10  1  0  0  0  0
  1 22  1  0  0  0  0
  2  8  2  0  0  0  0
  2  9  2  0  0  0  0
  2 11  1  0  0  0  0
  2 32  1  0  0  0  0
  3 25  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  7 28  2  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 28  1  0  0  0  0
 11 52  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 18  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
 21 45  1  0  0  0  0
 22 26  2  0  0  0  0
 22 27  1  0  0  0  0
 23 25  1  0  0  0  0
 23 46  1  0  0  0  0
 24 25  2  0  0  0  0
 24 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 47  1  0  0  0  0
 27 30  2  0  0  0  0
 27 48  1  0  0  0  0
 29 31  2  0  0  0  0
 29 49  1  0  0  0  0
 30 31  1  0  0  0  0
 30 50  1  0  0  0  0
 31 51  1  0  0  0  0
 32 53  1  0  0  0  0
 32 54  1  0  0  0  0
 32 55  1  0  0  0  0
M  END

$$$$
D05YFF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.572   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.429  -0.206   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -2.143   1.031   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.715   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.000  -0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.715   0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.429  -0.206   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       2.143   0.206   0.000  1.00  0.00           N  
HETATM   15 CL   UNL     1      -5.001  -1.444   0.000  1.00  0.00          Cl  
HETATM   16  C   UNL     1       2.858  -0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.143   1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.572   0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.287  -0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       5.001   0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       5.001   1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.287   1.444   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.572   1.031   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   15                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   16   17                                            
CONECT   15    2                                                      
CONECT   16   14   18                                                 
CONECT   17   14                                                      
CONECT   18   16   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END

$$$$

$$$$

$$$$
D05YHV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.578   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.578  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       3.292  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       4.007  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       4.007   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.292   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       4.791  -0.874   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       5.276  -0.206   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       4.791   0.461   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       5.046   1.246   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1       3.292   1.444   0.000  1.00  0.00           O  
HETATM   12  H   UNL     1       2.578   1.856   0.000  1.00  0.00           H  
HETATM   13  C   UNL     1       3.292  -1.856   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.863   0.619   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.149   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.434   0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.280   0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.434   1.444   0.000  1.00  0.00           C  
HETATM   19  P   UNL     1      -0.994   0.619   0.000  1.00  0.00           P  
HETATM   20  N   UNL     1      -1.709   0.206   0.000  1.00  0.00           N  
HETATM   21  O   UNL     1      -0.994   1.444   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.423   0.619   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.138   0.206   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.423   1.444   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.138  -0.619   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1       1.863  -1.031   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       1.863  -1.853   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.994  -0.206   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.706  -0.617   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.418  -0.206   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.130  -0.617   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.130  -1.439   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.418  -1.851   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.706  -1.439   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1      -3.852   0.619   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1      -5.276   0.619   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.564   0.208   0.000  1.00  0.00           C  
CONECT    1    2    6   14                                            
CONECT    2   26    1    3                                            
CONECT    3    2    4   13                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9                                                      
CONECT   11    6   12                                                 
CONECT   12   11                                                      
CONECT   13    3                                                      
CONECT   14    1   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   19                                                 
CONECT   18   16                                                      
CONECT   19   28   17   20   21                                       
CONECT   20   19   22                                                 
CONECT   21   19                                                      
CONECT   22   20   23   24                                            
CONECT   23   35   22   25                                            
CONECT   24   22                                                      
CONECT   25   23                                                      
CONECT   26   27    2                                                 
CONECT   27   26                                                      
CONECT   28   29   19                                                 
CONECT   29   30   34   28                                            
CONECT   30   31   29                                                 
CONECT   31   32   30                                                 
CONECT   32   33   31                                                 
CONECT   33   34   32                                                 
CONECT   34   33   29                                                 
CONECT   35   37   23                                                 
CONECT   36   37                                                      
CONECT   37   36   35                                                 
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D05YMG
  -OEChem-09301911152D

 54 59  0     0  0  0  0  0  0999 V2000
   10.8135    4.5556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1601   -0.4483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4493   -1.6050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1660   -0.4526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -4.9824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4778    3.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1672    4.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4563    2.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8350    4.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1242    3.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8100    2.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8315    2.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1206    1.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4743    0.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1636    1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4528    0.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8064    0.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8280    0.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4708   -1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1171   -0.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -3.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8613   -1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -4.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -3.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -2.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -4.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -5.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6704    2.4777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7846    4.5054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6202    3.7255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2251    2.2855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9827    2.5332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0663    5.3371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3086    5.0895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5067    3.1172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6711    3.8971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2276    5.0171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6389    3.1182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7273    1.2443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5570    1.9125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6454    0.0386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6353    0.8853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7238   -0.9886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2720   -1.5914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -3.1724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.3278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -4.7924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -5.6370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -3.1495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -4.8153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 41  1  0  0  0  0
  2  4  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 19  1  0  0  0  0
  3 21  2  0  0  0  0
  4 24  2  0  0  0  0
  5 25  1  0  0  0  0
  5 28  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 32  1  0  0  0  0
  7  9  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8 10  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 42  1  0  0  0  0
 13 16  2  0  0  0  0
 13 43  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 18  2  0  0  0  0
 17 21  1  0  0  0  0
 18 46  1  0  0  0  0
 19 20  2  0  0  0  0
 20 22  1  0  0  0  0
 20 24  1  0  0  0  0
 21 47  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  2  0  0  0  0
 23 25  1  0  0  0  0
 23 27  2  0  0  0  0
 24 48  1  0  0  0  0
 25 29  2  0  0  0  0
 26 28  1  0  0  0  0
 26 49  1  0  0  0  0
 27 30  1  0  0  0  0
 27 50  1  0  0  0  0
 28 51  1  0  0  0  0
 29 31  1  0  0  0  0
 29 52  1  0  0  0  0
 30 31  2  0  0  0  0
 30 53  1  0  0  0  0
 31 54  1  0  0  0  0
M  END

$$$$
D05YNZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.632  -0.496   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.632  -1.321   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.346  -1.734   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.346  -2.558   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.632  -2.971   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.917  -2.558   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.917  -1.734   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.133  -2.813   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.648  -2.146   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.133  -1.479   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.917  -0.084   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.917   0.742   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.632   1.154   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.346   0.742   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.346  -0.084   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.177  -2.146   0.000  1.00  0.00           C  
HETATM   17  F   UNL     1      -4.061   1.154   0.000  1.00  0.00           F  
HETATM   18  C   UNL     1       0.590  -2.861   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.415  -2.861   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.827  -2.146   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.415  -1.431   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.590  -1.431   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.652  -2.146   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       3.236  -2.729   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       2.823  -3.444   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.061  -2.729   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       3.065  -1.431   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.203  -0.496   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -1.203   1.154   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -0.488   0.742   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.226   1.154   0.000  1.00  0.00           C  
HETATM   32  S   UNL     1       0.980   0.818   0.000  1.00  0.00           S  
HETATM   33  C   UNL     1       1.532   1.431   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.119   2.146   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       0.312   1.974   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.357   1.431   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       2.769   2.146   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       2.357   2.861   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       1.532   2.861   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       2.940   3.444   0.000  1.00  0.00           C  
HETATM   41  O   UNL     1      -0.488  -0.084   0.000  1.00  0.00           O  
CONECT    1    2   11   15                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7    8                                            
CONECT    7    6    2   10                                            
CONECT    8    6    9                                                 
CONECT    9    8   10   16                                            
CONECT   10    9    7                                                 
CONECT   11    1   12   28                                            
CONECT   12   11   13   29                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14    1                                                 
CONECT   16    9   18   22                                            
CONECT   17   14                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   16                                                 
CONECT   23   20   24   27                                            
CONECT   24   23   25   26                                            
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   23                                                      
CONECT   28   11                                                      
CONECT   29   12   30                                                 
CONECT   30   29   31   41                                            
CONECT   31   30   32   35                                            
CONECT   32   31   33                                                 
CONECT   33   32   34   36                                            
CONECT   34   33   35   39                                            
CONECT   35   34   31                                                 
CONECT   36   33   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39   40                                            
CONECT   39   38   34                                                 
CONECT   40   38                                                      
CONECT   41   30                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D05ZAV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.088   0.584   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.913   0.584   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.325   1.299   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.913   2.013   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.088   2.013   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.675   1.299   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       3.150   1.299   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.150   1.299   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.635   1.966   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -1.419   1.711   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.419   0.886   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.635   0.631   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.134   2.124   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.848   1.711   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.848   0.886   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.134   0.474   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.134   2.949   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.563   0.474   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.380  -0.153   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.932  -0.766   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.677  -1.551   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1      -1.739  -0.595   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.229  -2.164   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.130  -1.723   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.974  -2.949   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.385  -2.507   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.563   2.013   0.000  1.00  0.00           C  
HETATM   28  I   UNL     1       2.325   2.728   0.000  1.00  0.00           I  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   28                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    3   27                                                 
CONECT    8    6    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12   16                                            
CONECT   12   11    8   19                                            
CONECT   13   10   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   11                                                 
CONECT   17   13                                                      
CONECT   18   15                                                      
CONECT   19   12   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   23   24                                            
CONECT   22   20                                                      
CONECT   23   21   25                                                 
CONECT   24   21   26                                                 
CONECT   25   23                                                      
CONECT   26   24                                                      
CONECT   27    7                                                      
CONECT   28    4                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D05ZBB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.001   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.001   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.287   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.572   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.572   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.287   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.858   0.412   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.143   0.825   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -2.143   1.650   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.858   2.062   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.858   2.888   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -2.858  -0.412   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.143  -0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.143  -1.650   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.429  -2.062   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.715  -1.650   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.715  -0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1       0.000  -2.062   0.000  1.00  0.00           F  
HETATM   21  N   UNL     1       0.715  -0.825   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1       0.000   0.412   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       0.715  -1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.429  -2.062   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.143  -1.650   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       2.143  -0.825   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.429  -0.412   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.858  -2.062   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.572  -1.650   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       2.858  -2.888   0.000  1.00  0.00           O  
HETATM   31  N   UNL     1       4.287  -2.062   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       5.001  -1.650   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.287  -2.888   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.985  -0.935   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.160  -0.935   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    7   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18   19                                            
CONECT   18   17   13                                                 
CONECT   19   17   21   22                                            
CONECT   20   16                                                      
CONECT   21   19   23   27                                            
CONECT   22   19                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   21                                                 
CONECT   28   25   29   30                                            
CONECT   29   28   31   34   35                                       
CONECT   30   28                                                      
CONECT   31   29   32   33                                            
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   29   35                                                 
CONECT   35   34   29                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D05ZEZ
  -OEChem-09301911212D

 55 56  0     1  0  0  0  0  0999 V2000
    3.3660    1.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -1.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641   -2.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -3.6651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962   -1.9330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    0.0670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    4.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    4.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    3.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    2.5670    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2320    3.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301   -2.4330    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9641   -1.9330    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8301   -3.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962   -3.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962   -4.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622   -3.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0989    3.9065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5826    4.7210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1077    5.5436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8923    5.5436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174    4.7210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8894    3.1747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2880    2.4844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    2.2570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5420    2.5300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    3.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9220    3.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671   -2.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2196   -3.3254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6181   -4.0156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1592   -4.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4875   -1.3254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8860   -2.0156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2331   -2.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962   -1.3130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6951   -0.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0762   -4.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962   -5.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3162   -4.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8722   -3.9700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0991   -3.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2522   -2.8961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0841   -1.0670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    2.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010    1.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1541   -3.3360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  1  0  0  0
  1 18  1  0  0  0  0
 14  2  1  6  0  0  0
  2 52  1  0  0  0  0
  3 20  1  0  0  0  0
  3 55  1  0  0  0  0
  4 20  2  0  0  0  0
 13  5  1  1  0  0  0
  5 43  1  0  0  0  0
  5 44  1  0  0  0  0
  6 19  2  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 37  1  0  0  0  0
 14 17  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 40  1  0  0  0  0
 17 19  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 21  2  0  0  0  0
 18 24  1  0  0  0  0
 19 21  1  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 25  2  0  0  0  0
 24 53  1  0  0  0  0
 25 54  1  0  0  0  0
M  END

$$$$
D05ZGX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.838  -0.297   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.838  -1.119   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.126  -1.530   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.414  -1.119   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.414  -0.297   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.126   0.114   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.632  -1.373   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.149  -0.708   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.632  -0.043   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.673  -0.708   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1      -0.378   0.739   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.426   0.910   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.928   1.350   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.733   1.179   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.283   1.790   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.674   2.132   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.084  -1.420   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.906  -1.420   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       0.673  -2.132   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       2.317  -2.132   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.976   0.299   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.780   0.470   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.034   1.252   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.484   1.863   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.680   1.692   0.000  1.00  0.00           C  
HETATM   26 CL   UNL     1       2.330  -0.141   0.000  1.00  0.00          Cl  
HETATM   27  F   UNL     1       2.838   1.423   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5   11                                            
CONECT   10    8   17                                                 
CONECT   11    9   12   13                                            
CONECT   12   11   21   25                                            
CONECT   13   11   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14                                                      
CONECT   16   13                                                      
CONECT   17   10   18   19                                            
CONECT   18   17   20                                                 
CONECT   19   17                                                      
CONECT   20   18                                                      
CONECT   21   12   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   12                                                 
CONECT   26   22                                                      
CONECT   27   23                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D05ZHR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.510  -1.556   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.510  -2.381   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.204  -2.793   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.919  -2.381   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.919  -1.556   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.204  -1.143   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.704  -2.636   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1       2.188  -1.968   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.704  -1.301   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.224  -1.143   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.958  -0.516   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.765  -0.345   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1       1.407   0.097   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       3.020   0.440   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.827   0.611   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       4.082   1.396   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.530   2.009   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.723   1.837   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.468   1.053   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.224  -0.319   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.939   0.094   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.653  -0.319   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.653  -1.143   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.939  -1.556   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.939   0.919   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.653   1.331   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.653   2.156   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.368   2.569   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.082   2.156   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.082   1.331   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.368   0.919   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.785   2.793   0.000  1.00  0.00           C  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   11                                            
CONECT   10    1   20   24                                            
CONECT   11    9   12   13                                            
CONECT   12   11   14                                                 
CONECT   13   11                                                      
CONECT   14   12   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   32                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   10   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   10                                                 
CONECT   25   21   26                                                 
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   17                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D05ZQI
  -OEChem-09301911262D

 63 67  0     1  0  0  0  0  0999 V2000
    3.7320    2.8587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3205   -2.6721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.6413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1413    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    1.8587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923   -1.6654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.6413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8222    0.3934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3587    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7320    1.8587    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981    1.3587    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8660    0.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4602   -1.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5884   -2.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3243   -1.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4525   -3.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.6413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8222   -1.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -0.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.1687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.0487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.4664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.2239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -0.2239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.4664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.3957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.1687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.3218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.4787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.5487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.1687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.3313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.9513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.9513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8606   -0.6953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0636   -0.6923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9783   -2.5554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3742   -3.2472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9345   -1.7821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5386   -1.0903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0522   -3.6422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8492   -3.6452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8150   -2.2959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2639    0.1916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    0.1687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.9787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  1  0  0  0
  1 47  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3 27  2  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 17  1  0  0  0  0
 13  5  1  6  0  0  0
  5 45  1  0  0  0  0
  5 46  1  0  0  0  0
  6 18  1  0  0  0  0
  6 27  1  0  0  0  0
  6 50  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 26  1  0  0  0  0
  8 20  2  0  0  0  0
  8 21  1  0  0  0  0
  9 28  2  0  0  0  0
  9 30  1  0  0  0  0
 10 31  2  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 16  1  6  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 13 15  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 51  1  0  0  0  0
 22 24  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 25  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
 24 56  1  0  0  0  0
 24 57  1  0  0  0  0
 25 58  1  0  0  0  0
 25 59  1  0  0  0  0
 26 29  2  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 28 33  1  0  0  0  0
 29 30  1  0  0  0  0
 29 60  1  0  0  0  0
 30 32  2  0  0  0  0
 31 61  1  0  0  0  0
 32 34  1  0  0  0  0
 33 34  2  0  0  0  0
 33 62  1  0  0  0  0
 34 63  1  0  0  0  0
M  END

$$$$
D05ZWR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.860  -0.661   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.647   0.136   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.230   0.719   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.027   0.505   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.240  -0.291   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.657  -0.875   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.187   1.543   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.957   1.839   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.476   1.197   0.000  1.00  0.00           C  
HETATM   10  H   UNL     1      -5.037  -0.505   0.000  1.00  0.00           H  
HETATM   11  C   UNL     1      -1.850   0.349   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.266  -0.234   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.470  -0.021   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.245  -0.433   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.657   0.281   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.057   0.694   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.454   0.495   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.038  -0.088   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.824  -0.885   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.408  -1.469   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.204  -1.255   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.418  -0.458   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.834   0.125   0.000  1.00  0.00           C  
HETATM   24  H   UNL     1       3.048   0.922   0.000  1.00  0.00           H  
HETATM   25  F   UNL     1       3.788  -1.839   0.000  1.00  0.00           F  
HETATM   26  C   UNL     1       4.212  -0.243   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       4.212   0.582   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       5.037  -0.243   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1       4.212  -1.068   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    4                                                 
CONECT   10    5                                                      
CONECT   11    2   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   13                                                 
CONECT   17   15   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23   26                                            
CONECT   23   22   18   24                                            
CONECT   24   23                                                      
CONECT   25   21                                                      
CONECT   26   22   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D06ARD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287   0.206   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.572  -0.206   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.858   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858   1.031   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.572   1.444   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.429   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.429   1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.143   1.444   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -5.001  -0.206   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -5.716   0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.430  -0.206   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -6.430  -1.031   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -5.716  -1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.001  -1.031   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.714  -0.206   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       0.000   0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.714  -0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.429   0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.429   1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.714   1.444   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.000   1.031   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.143  -0.206   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       2.858   0.206   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       3.572  -0.206   0.000  1.00  0.00           N  
HETATM   27  O   UNL     1       2.858   1.031   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       4.287   0.206   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.001  -0.206   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.716   0.206   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.716   1.031   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.001   1.444   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.287   1.031   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1       6.430   1.444   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1       6.430  -0.206   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   17                                            
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    2   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    8   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   20   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   28                                                 
CONECT   27   25                                                      
CONECT   28   26   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31   35                                            
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34   31                                                      
CONECT   35   30                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D06BFA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.551   0.240   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.551  -0.585   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.837  -0.997   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.122  -0.585   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.122   0.240   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.837   0.653   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.408   0.653   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.306   0.240   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -0.408   1.478   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.021   0.653   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.736   0.240   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.450   0.653   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.450   1.478   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.736   1.890   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.021   1.478   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       3.164   1.890   0.000  1.00  0.00           O  
HETATM   17 CL   UNL     1       3.164   0.240   0.000  1.00  0.00          Cl  
HETATM   18  N   UNL     1      -3.164  -1.137   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1      -2.829  -1.890   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.008  -1.804   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4   20                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13                                                      
CONECT   17   12                                                      
CONECT   18    2   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19    3                                                 
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D06BHM
  -OEChem-09301911122D

 22 23  0     0  0  0  0  0  0999 V2000
    2.8660   -3.6012    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5116    1.9920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    2.7352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026    3.3933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    3.6012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.7912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.7088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.2088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7974    2.6704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  2 21  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  1  0  0  0  0
  4 15  2  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  2  0  0  0  0
  6 15  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  2  0  0  0  0
 10 17  1  0  0  0  0
 11 14  2  0  0  0  0
 11 18  1  0  0  0  0
 12 14  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
M  END

$$$$
D06BSG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.872   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.872   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.158  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.443   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.443   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.158   1.444   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.341  -0.049   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.826   0.619   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1       0.341   1.286   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1      -1.158   2.269   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.443   2.681   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1      -1.872   2.681   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       1.651   0.619   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.158  -1.031   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.872  -1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.587  -1.031   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.301  -1.444   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.301  -2.269   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.587  -2.681   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.872  -2.269   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.064  -0.096   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.889  -0.096   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.301   0.619   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.889   1.333   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.064   1.333   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1       3.301   2.048   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1       3.301  -0.810   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   14                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8    5                                                 
CONECT   10    6   11   12                                            
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13    8   21   25                                            
CONECT   14    3   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   13   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   13                                                 
CONECT   26   24                                                      
CONECT   27   22                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D06BSV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.705  -0.604   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.705  -1.429   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.419  -1.841   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.134  -1.429   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       2.134  -0.604   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       1.419  -0.191   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -0.080  -0.349   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1      -0.565  -1.016   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.080  -1.684   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.390  -1.016   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.802  -0.302   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.627  -0.302   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.040  -1.016   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.627  -1.731   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.802  -1.731   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.040   0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.627   1.127   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.040   1.841   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.865   1.841   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.277   1.127   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.865   0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.390   0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.848  -0.191   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.563  -0.604   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       4.277  -0.191   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       3.563  -1.429   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   23                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12   22                                            
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   12   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   11                                                      
CONECT   23    5   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24                                                      
CONECT   26   24                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D06BTN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.163  -0.441   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.988  -0.441   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.503  -1.086   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.319  -1.891   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.576  -2.249   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.832  -1.891   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.649  -1.086   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.291  -0.843   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.896  -1.404   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.712  -2.209   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.924  -2.452   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.228  -2.452   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.439  -2.209   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.256  -1.404   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.860  -0.843   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -5.684  -1.161   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -6.289  -1.722   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -5.317  -2.770   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -6.105  -2.527   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.677  -0.039   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       0.112   0.204   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.716  -0.357   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.505  -0.114   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.688   0.691   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.083   1.252   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.295   1.009   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -0.310   1.570   0.000  1.00  0.00           F  
HETATM   28  N   UNL     1       2.477   0.934   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       2.660   1.738   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       2.055   2.299   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       3.448   1.981   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.053   1.420   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       3.870   0.616   0.000  1.00  0.00           N  
HETATM   34  O   UNL     1       4.842   1.663   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       4.474   0.055   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.291  -0.750   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.896  -1.311   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       5.684  -1.068   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       5.868  -0.263   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       5.263   0.298   0.000  1.00  0.00           C  
HETATM   41  F   UNL     1       6.289  -1.629   0.000  1.00  0.00           F  
HETATM   42  C   UNL     1       4.010   2.586   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       3.205   2.770   0.000  1.00  0.00           C  
CONECT    1    2    7                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5   11                                            
CONECT    5    4    6                                                 
CONECT    6    5    7   12                                            
CONECT    7    6    1   15                                            
CONECT    8    3    9                                                 
CONECT    9    8   10   16                                            
CONECT   10    9   11   18                                            
CONECT   11   10    4                                                 
CONECT   12    6   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    7   20                                            
CONECT   16    9   17                                                 
CONECT   17   16                                                      
CONECT   18   10   19                                                 
CONECT   19   18                                                      
CONECT   20   15   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   21   27                                            
CONECT   27   26                                                      
CONECT   28   24   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29                                                      
CONECT   31   29   32   42   43                                       
CONECT   32   31   33   34                                            
CONECT   33   32   35                                                 
CONECT   34   32                                                      
CONECT   35   33   36   40                                            
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39   41                                            
CONECT   39   38   40                                                 
CONECT   40   39   35                                                 
CONECT   41   38                                                      
CONECT   42   31   43                                                 
CONECT   43   42   31                                                 
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
M  END

$$$$
D06BUG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.358   0.206   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       1.073   0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.787   0.206   0.000  1.00  0.00           C  
HETATM    4  O   UNL     1       1.073   1.444   0.000  1.00  0.00           O  
HETATM    5  C   UNL     1       1.787  -0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.502  -1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.216  -0.619   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       3.216   0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.502   0.619   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       2.502   1.444   0.000  1.00  0.00           O  
HETATM   11  S   UNL     1       2.502  -1.856   0.000  1.00  0.00           S  
HETATM   12  C   UNL     1       3.216   1.856   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.216   2.681   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.502  -2.681   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       3.327  -1.856   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       1.677  -1.856   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.356   0.619   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.070   0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.070  -0.619   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.356  -1.031   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.358  -0.619   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.785  -1.031   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.499  -0.619   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.785  -1.856   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.499   0.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.214   0.619   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.928   0.206   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.928  -0.619   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.214  -1.031   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1      -4.643   0.619   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -3.214  -1.856   0.000  1.00  0.00           F  
HETATM   32  C   UNL     1       3.931   1.444   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1       3.520   0.732   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       4.643   1.033   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1       4.342   2.156   0.000  1.00  0.00           F  
CONECT    1    2   17   21                                            
CONECT    2    1    3    4                                            
CONECT    3    2    5    9                                            
CONECT    4    2                                                      
CONECT    5    3    6                                                 
CONECT    6    5    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    3   10                                            
CONECT   10    9   12                                                 
CONECT   11    6   14   15   16                                       
CONECT   12   32   10   13                                            
CONECT   13   12                                                      
CONECT   14   11                                                      
CONECT   15   11                                                      
CONECT   16   11                                                      
CONECT   17    1   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20    1                                                 
CONECT   22   19   23   24                                            
CONECT   23   22   25   29                                            
CONECT   24   22                                                      
CONECT   25   23   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   23   31                                            
CONECT   30   27                                                      
CONECT   31   29                                                      
CONECT   32   33   34   35   12                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D06CBI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.357   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.357  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.357  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.072  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.072   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.357   0.825   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.072  -0.825   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.786  -0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.501  -0.825   0.000  1.00  0.00           C  
HETATM   10 CL   UNL     1      -3.215  -0.412   0.000  1.00  0.00          Cl  
HETATM   11  C   UNL     1       1.786   0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.501   0.412   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       3.215   0.825   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9                                                      
CONECT   11    5   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12                                                      
MASTER        0    0    0    0    0    0    0    0   13    0   13    0
END
M  END

$$$$
D06CEA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.217   1.663   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.217   0.838   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.502   0.425   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.788   0.838   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.788   1.663   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.502   2.075   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.073   0.425   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.013  -0.395   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.820  -0.567   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.233   0.148   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.680   0.761   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.931   2.075   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.600  -0.947   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.385  -0.692   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.998  -1.244   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.826  -2.051   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.042  -2.306   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.428  -1.754   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.039   0.319   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.295   1.104   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.742   1.717   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       0.935   1.546   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1       2.592  -0.294   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       2.337  -1.079   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.889  -1.692   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.696  -1.520   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.951  -0.735   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.398  -0.122   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.482  -2.317   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.492  -1.306   0.000  1.00  0.00           C  
HETATM   31 CL   UNL     1       0.356  -2.009   0.000  1.00  0.00          Cl  
HETATM   32  C   UNL     1       4.066  -2.900   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       5.076  -1.890   0.000  1.00  0.00           N  
HETATM   34  O   UNL     1       4.706  -0.510   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1      -3.646   1.663   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.360   2.075   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1      -5.074   1.663   0.000  1.00  0.00           O  
HETATM   38  O   UNL     1      -4.360   2.900   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1      -4.361   1.663   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.076   2.075   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   19                                            
CONECT   11   10    7   22                                            
CONECT   12    1   35                                                 
CONECT   13    8   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13   31                                            
CONECT   19   10   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   11                                                 
CONECT   23   19   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29   30                                       
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   26   32                                                 
CONECT   30   26   33   34                                            
CONECT   31   18                                                      
CONECT   32   29                                                      
CONECT   33   30                                                      
CONECT   34   30                                                      
CONECT   35   12   36                                                 
CONECT   36   35   37   38                                            
CONECT   37   36   40                                                 
CONECT   38   36                                                      
CONECT   39   40                                                      
CONECT   40   37   39                                                 
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D06CGQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.845   1.007   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.845   0.182   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.131  -0.230   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.416   0.182   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.416   1.007   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.131   1.420   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.630   1.262   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.115   0.595   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.630  -0.072   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.885   2.047   0.000  1.00  0.00           O  
HETATM   11 CL   UNL     1      -3.131  -1.055   0.000  1.00  0.00          Cl  
HETATM   12  C   UNL     1      -1.702  -0.230   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.987   0.182   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.702  -1.055   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1      -0.273  -0.230   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.273  -1.055   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.442  -1.468   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.156  -1.055   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.156  -0.230   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.442   0.182   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.242  -1.876   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.049  -2.047   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.462  -1.333   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.910  -0.719   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       2.081   0.088   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       3.282  -1.246   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.834  -1.859   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       4.588  -1.524   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       4.502  -0.703   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.695  -0.532   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.359   0.222   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       5.115  -0.151   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   11                                            
CONECT    4    3    5   12                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    7                                                      
CONECT   11    3                                                      
CONECT   12    4   13   14                                            
CONECT   13   12   15                                                 
CONECT   14   12                                                      
CONECT   15   13   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21   24                                       
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   18   25                                            
CONECT   25   24                                                      
CONECT   26   23   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   26   31                                            
CONECT   31   30                                                      
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D06DRH
  -OEChem-09301911252D

 54 59  0     0  0  0  0  0  0999 V2000
    4.3158   -1.5884    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9186   -1.8072    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1374   -3.2044    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.1422    5.5330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4752   -1.4229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4102    5.5397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2133   -0.9229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0726   -3.4882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2650    2.6222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7969   -0.1182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4834   -4.2962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2704    4.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9748    3.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5606    3.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2611    1.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2743    5.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3932    1.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3852    0.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4911    1.6463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4752   -0.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6091    0.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5931    1.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7431   -0.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7431   -1.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6091   -1.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7969   -1.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4862   -2.6782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5346   -2.9856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5329   -3.9856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7266   -2.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7229   -4.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8100   -4.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8257   -5.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0156   -6.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1028   -5.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6985    4.2758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4115    2.8864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4149    3.7633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1239    3.7721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1205    2.8953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4709    1.0388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8721    1.7275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9185   -0.2323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4887    2.2663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0526    1.4224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2106   -2.3979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0077   -2.3979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1446    6.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7463   -3.5469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3916   -5.8198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4340   -4.4968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0794   -6.7697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6006   -6.1083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2 30  1  0  0  0  0
  3 30  1  0  0  0  0
  4 16  1  0  0  0  0
  4 49  1  0  0  0  0
  5 20  1  0  0  0  0
  5 25  1  0  0  0  0
  6 16  2  0  0  0  0
  7 10  1  0  0  0  0
  7 26  1  0  0  0  0
  8 11  1  0  0  0  0
  8 27  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 23  2  0  0  0  0
 11 29  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 16  1  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 17  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 44  1  0  0  0  0
 19 22  2  0  0  0  0
 19 45  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 46  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 50  1  0  0  0  0
 33 35  2  0  0  0  0
 33 51  1  0  0  0  0
 34 36  2  0  0  0  0
 34 52  1  0  0  0  0
 35 36  1  0  0  0  0
 35 53  1  0  0  0  0
 36 54  1  0  0  0  0
M  END

$$$$
D06EDH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.515   1.993   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.515   1.171   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.803   0.760   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.091   1.171   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.091   1.993   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.803   2.404   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -2.227   2.404   0.000  1.00  0.00          Cl  
HETATM    8 CL   UNL     1      -0.803   3.226   0.000  1.00  0.00          Cl  
HETATM    9  C   UNL     1       0.621   0.760   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.621  -0.062   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.333  -0.474   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.045  -0.062   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.045   0.760   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.333   1.171   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.333  -1.296   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.668  -1.779   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       0.922  -2.561   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.744  -2.561   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.998  -1.779   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.227  -3.226   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    1                                                      
CONECT    8    6                                                      
CONECT    9    4   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   11   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   15                                                 
CONECT   20   18                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D06EIP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.551   0.240   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.551  -0.585   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.837  -0.997   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.122  -0.585   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.122   0.240   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.837   0.653   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.408   0.653   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.306   0.240   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -0.408   1.478   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.021   0.653   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.736   0.240   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.450   0.653   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.450   1.478   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.736   1.890   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.021   1.478   0.000  1.00  0.00           C  
HETATM   16 CL   UNL     1       3.164   0.240   0.000  1.00  0.00          Cl  
HETATM   17  N   UNL     1      -3.164  -1.137   0.000  1.00  0.00           N  
HETATM   18  N   UNL     1      -2.829  -1.890   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.008  -1.804   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1       3.164   1.890   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   17                                            
CONECT    3    2    4   19                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14   20                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   12                                                      
CONECT   17    2   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18    3                                                 
CONECT   20   13                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D06ELK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.001  -0.968   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.001  -1.793   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.287  -2.206   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.572  -1.793   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.572  -0.968   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.287  -0.556   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.716  -0.556   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.858  -2.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.143  -1.793   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.429  -2.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.714  -1.793   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.714  -0.968   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.429  -0.556   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.143  -0.968   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.287   0.269   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.000  -0.556   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.714  -0.968   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       0.000   0.269   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.429  -0.556   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.143  -0.968   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.858  -0.556   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.858   0.269   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.143   0.682   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.429   0.269   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.714   0.682   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.619   0.754   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -3.874   1.539   0.000  1.00  0.00           N  
HETATM   28  N   UNL     1      -4.699   1.539   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.954   0.754   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.389   2.206   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.572  -0.968   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       4.287  -0.556   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       5.001  -0.968   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       5.716  -0.556   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1       5.716   0.269   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1       5.001   0.682   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.287   0.269   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   15                                            
CONECT    7    1                                                      
CONECT    8    4    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    6   26   29                                            
CONECT   16   12   17   18                                            
CONECT   17   16   19                                                 
CONECT   18   16                                                      
CONECT   19   17   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   31                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19   25                                            
CONECT   25   24                                                      
CONECT   26   15   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   15                                                 
CONECT   30   27                                                      
CONECT   31   21   32                                                 
CONECT   32   31   33   37                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   32                                                 
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D06FHJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.218   0.474   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.433   0.140   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.230   0.354   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.814  -0.230   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.600  -1.027   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.803  -1.240   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.220  -0.657   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.218  -0.351   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.423  -0.870   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.127  -1.641   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1       0.696  -1.597   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.910  -0.800   0.000  1.00  0.00           C  
HETATM   13  S   UNL     1       0.801   1.057   0.000  1.00  0.00           S  
HETATM   14  C   UNL     1       1.385   1.641   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.099   1.228   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.814   1.641   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.099   0.403   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       0.218   1.641   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       1.385   0.474   0.000  1.00  0.00           O  
CONECT    1    8   13                                                 
CONECT    2    7    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    2    6    9                                            
CONECT    8    1   12    9                                            
CONECT    9    7    8   10                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12    8   11                                                 
CONECT   13    1   14   18   19                                       
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15                                                      
CONECT   17   15                                                      
CONECT   18   13                                                      
CONECT   19   13                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D06FJL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.924   0.100   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.924  -0.725   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.209  -1.138   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.495  -0.725   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.495   0.100   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.209   0.512   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -4.638  -1.138   0.000  1.00  0.00           F  
HETATM    8  C   UNL     1      -1.780   0.512   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.066   0.100   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.351   0.512   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.363   0.100   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1      -0.351   1.337   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.363  -0.725   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.077  -1.138   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       1.792  -0.725   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.792   0.100   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.077   0.512   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.577  -0.980   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       3.062  -0.313   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       2.577   0.355   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       2.832  -1.765   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       2.988   0.767   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.401   0.053   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.226   0.053   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.638   0.767   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.226   1.482   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.401   1.482   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.467   0.754   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.254   1.551   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.457   1.765   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.873   1.181   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.087   0.384   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.884   0.171   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10   13   17                                            
CONECT   12   10                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17   20                                            
CONECT   17   16   11                                                 
CONECT   18   15   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   16   22   28                                       
CONECT   21   18                                                      
CONECT   22   20   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   20   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D06FLB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -4.159   3.674   0.000  1.00  0.00           N  
HETATM    2  N   UNL     1      -4.572   2.959   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.020   2.346   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.266   2.682   0.000  1.00  0.00           N  
HETATM    5  N   UNL     1      -3.352   3.502   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.552   2.269   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.552   1.444   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.837   1.032   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.123   1.444   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.123   2.269   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.837   2.682   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.408   1.032   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.306   1.444   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.021   1.032   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.021   0.207   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.735  -0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.450   0.207   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.450   1.032   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.735   1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.536  -0.614   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.343  -0.785   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       3.755  -0.071   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.203   0.542   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.408   0.207   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1       1.923  -1.166   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       3.679  -1.539   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.266  -2.254   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.818  -2.867   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       4.572  -2.531   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       4.485  -1.711   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       3.647  -3.674   0.000  1.00  0.00           O  
CONECT    1    2    5                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    1                                                 
CONECT    6    4    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11                                                 
CONECT   11   10    6                                                 
CONECT   12    9   13   24                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20   23                                       
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21   25                                            
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   17                                                 
CONECT   24   12                                                      
CONECT   25   20                                                      
CONECT   26   21   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   26                                                 
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D06FNA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.676   0.234   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.676  -0.591   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.962  -1.003   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.248  -0.591   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.248   0.234   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.962   0.647   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -4.391   0.647   0.000  1.00  0.00          Cl  
HETATM    8 CL   UNL     1      -4.391  -1.003   0.000  1.00  0.00          Cl  
HETATM    9  C   UNL     1      -1.533   0.647   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.819   0.234   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.104   0.647   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.610   0.234   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.697  -0.586   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.504  -0.757   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.916  -0.043   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.364   0.570   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.916  -1.472   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.741  -1.472   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.154  -0.757   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.741  -0.043   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.104   1.472   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.978  -0.757   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.391  -0.043   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.978   0.671   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.154   0.671   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    2                                                      
CONECT    9    5   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   21                                            
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16   20                                            
CONECT   16   15   12                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   15   25                                            
CONECT   21   11                                                      
CONECT   22   19   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D06FOF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.605   1.431   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.605   0.606   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.890   0.193   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.176   0.606   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.176   1.431   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.890   1.843   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.461   0.193   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.375  -0.627   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.432  -0.799   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.844  -0.084   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.292   0.529   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.319   1.843   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.988  -1.179   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.773  -0.924   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.386  -1.476   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.214  -2.283   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.430  -2.538   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.817  -1.986   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -0.032  -2.241   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1       0.464   1.336   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1      -2.827  -2.835   0.000  1.00  0.00          Cl  
HETATM   22  O   UNL     1       0.051   2.050   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1      -3.405   2.664   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1      -4.212   2.835   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1      -4.625   2.121   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1      -4.073   1.508   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       1.665   0.002   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       2.150  -0.665   0.000  1.00  0.00           N  
HETATM   29  O   UNL     1       2.001   0.756   0.000  1.00  0.00           O  
HETATM   30  N   UNL     1       2.975  -0.665   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       3.387  -1.380   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.212  -1.380   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.625  -0.665   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.212   0.049   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.387   0.049   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   27                                            
CONECT   11   10    7   20                                            
CONECT   12    1   23   26                                            
CONECT   13    8   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   13   19                                            
CONECT   19   18                                                      
CONECT   20   11   22                                                 
CONECT   21   16                                                      
CONECT   22   20                                                      
CONECT   23   12   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   12                                                 
CONECT   27   10   28   29                                            
CONECT   28   27   30                                                 
CONECT   29   27                                                      
CONECT   30   28   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D06FUM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.001  -0.619   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.287  -0.206   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.572  -0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858  -0.206   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.143  -0.619   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.429  -0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.715  -0.619   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.000  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.715  -0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.429  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.143  -0.619   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.858  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.572  -0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.287  -0.206   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       5.001  -0.619   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.287   0.619   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.429   0.619   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       4.287   0.619   0.000  1.00  0.00           O  
CONECT    1    2                                                      
CONECT    2    1    3   16                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7   17                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14                                                      
CONECT   16    2                                                      
CONECT   17    6                                                      
CONECT   18   14                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D06FVQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.226   1.270   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.511   0.857   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.429   1.483   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.016   2.198   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.781   1.984   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.193   1.270   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.781   0.555   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.336  -0.054   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.099   0.143   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.016   0.769   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.072   1.441   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.161  -0.054   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       2.574   0.660   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       2.574  -0.769   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.161  -1.483   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.574  -2.198   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.399  -2.198   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.811  -1.483   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       3.399  -0.769   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       4.636  -1.483   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.336   0.857   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.161   0.857   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.986   0.857   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.399   1.572   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.224   1.572   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.636   0.857   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.224   0.143   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.399   0.143   0.000  1.00  0.00           C  
CONECT    1    2    3                                                 
CONECT    2    1    9   11   21                                       
CONECT    3    1    4   10                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   11                                            
CONECT    6    5    7                                                 
CONECT    7    6    8    9   10                                       
CONECT    8    7   12                                                 
CONECT    9    2    7                                                 
CONECT   10    3    7                                                 
CONECT   11    2    5                                                 
CONECT   12    8   13   14                                            
CONECT   13   12                                                      
CONECT   14   12   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   14                                                 
CONECT   20   18                                                      
CONECT   21    2   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D06GGI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.700   3.300   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.700   2.475   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.986   2.062   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.272   2.475   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.272   3.300   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.986   3.712   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.443   2.062   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.157   2.475   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.157   3.300   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.443   3.712   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.614   1.256   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1       1.435   1.169   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       1.770   1.923   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.577   2.095   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       3.130   1.481   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1       2.832   2.879   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1      -2.415   2.062   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.415   1.238   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.130   0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.130   0.000   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.415  -0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.700   0.000   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.700   0.825   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.415  -1.238   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.130  -1.650   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.130  -2.475   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.415  -2.888   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -1.700  -2.475   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.700  -1.650   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.415  -3.712   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   17                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    7   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8   14                                            
CONECT   14   13   15   16                                            
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17    2   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   21   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D06GOT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.099   1.546   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.099   0.721   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.385   0.308   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.670   0.721   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.670   1.546   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.385   1.958   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.885   0.466   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.401   1.133   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.885   1.801   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.631  -0.319   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.176  -0.490   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.512  -1.244   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       1.332  -1.158   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.504  -0.351   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.789   0.062   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.099  -1.958   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.258  -0.015   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       2.925  -0.500   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.679  -0.165   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.346  -0.649   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       5.100  -0.314   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       5.186   0.507   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.519   0.992   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.765   0.656   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.814   0.308   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.567   0.644   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -5.119   0.031   0.000  1.00  0.00           N  
HETATM   28  N   UNL     1      -4.707  -0.684   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.900  -0.512   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.940   0.117   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       5.940   0.842   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   25                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    7   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   11                                                 
CONECT   16   12                                                      
CONECT   17   14   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   31                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25    2   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   25                                                 
CONECT   30   27                                                      
CONECT   31   22                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END

$$$$

$$$$

$$$$
D06GQG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.664   0.804   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.950   1.216   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.235   0.804   0.000  1.00  0.00           N  
HETATM    4  O   UNL     1      -1.950   2.041   0.000  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.521   1.216   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.194   0.804   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.020   0.007   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.407   0.007   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.908   1.216   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.623   0.804   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.337   1.216   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.052   0.804   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       2.337   2.041   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       3.138  -0.017   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.945  -0.188   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.357   0.526   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.805   1.139   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.378   1.216   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.093   0.804   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -4.093  -0.021   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.378  -0.434   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.664  -0.021   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.706  -0.573   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.370  -1.327   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.550  -1.241   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.783  -2.041   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.976   1.948   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       4.783   1.777   0.000  1.00  0.00           N  
CONECT    1    2   18   22                                            
CONECT    2    1    3    4                                            
CONECT    3    2    5                                                 
CONECT    4    2                                                      
CONECT    5    3    6                                                 
CONECT    6    5    7    8    9                                       
CONECT    7    6                                                      
CONECT    8    6                                                      
CONECT    9    6   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11   14   17                                            
CONECT   13   11                                                      
CONECT   14   12   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   27                                            
CONECT   18    1   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22   25                                            
CONECT   22   21    1                                                 
CONECT   23   20   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   21                                                 
CONECT   26   24                                                      
CONECT   27   17   28                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D06GSR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.858  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.858   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429   0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.429   1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.143   1.444   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.858   1.031   0.000  1.00  0.00           N  
HETATM   11 CL   UNL     1      -4.287  -1.444   0.000  1.00  0.00          Cl  
HETATM   12  N   UNL     1      -0.714  -0.206   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.000   0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.714  -0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.429   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.429   1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.714   1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.000   1.031   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       2.143   1.444   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       2.143  -0.206   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.858   0.206   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       3.572  -0.206   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.858   1.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.572   1.444   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.287   0.206   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   10                                            
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    6                                                 
CONECT   11    2                                                      
CONECT   12    7   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16                                                      
CONECT   20   15   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   25                                                 
CONECT   23   21   24                                                 
CONECT   24   23                                                      
CONECT   25   22                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D06GXM
  -OEChem-09301911282D

 63 65  0     1  0  0  0  0  0999 V2000
    3.7320    3.5002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084    2.3050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.5002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084    0.6955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.4998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.4998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5002    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    2.0002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981    1.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    2.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    1.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3191    3.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5920    1.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2976    3.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6512    3.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.8102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.6902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.4176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    1.1079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.0372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.1902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.9633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    3.1762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0560    3.4032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291    2.5562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8291    0.8242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6760    0.5973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    1.4442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.1202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.8102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    1.0372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.1902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -0.0367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7331    2.7940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2120    1.5002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4254    2.8550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9042    3.5896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1697    4.0684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1127    4.4138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2372    4.4612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1898    3.5857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.8098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181   -0.4172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196   -1.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.1898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.1898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.8098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.6198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 45  1  0  0  0  0
 11  2  1  6  0  0  0
  2 17  1  0  0  0  0
  2 44  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 22  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  2  0  0  0  0
  5 17  2  0  0  0  0
  5 21  1  0  0  0  0
  6 20  1  0  0  0  0
  6 22  2  0  0  0  0
  7 21  1  0  0  0  0
  7 25  1  0  0  0  0
  7 57  1  0  0  0  0
  8 28  1  0  0  0  0
  8 30  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 16  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 18 20  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 49  1  0  0  0  0
 20 21  2  0  0  0  0
 22 50  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 24 54  1  0  0  0  0
 24 55  1  0  0  0  0
 24 56  1  0  0  0  0
 25 26  1  0  0  0  0
 25 58  1  0  0  0  0
 25 59  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 27 60  1  0  0  0  0
 28 61  1  0  0  0  0
 29 30  1  0  0  0  0
 29 62  1  0  0  0  0
 30 63  1  0  0  0  0
M  END

$$$$
D06HEO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.334  -0.412   0.000  1.00  0.00           C  
HETATM    2  O   UNL     1      -5.334  -1.238   0.000  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.620  -1.650   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.905  -1.238   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.905  -0.412   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.620   0.000   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.191   0.000   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.476  -0.412   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.762   0.000   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.762   0.825   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.047   1.238   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.047   2.062   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.762   2.475   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.476   2.062   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.476   1.238   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.333   0.825   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.333   0.000   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.047  -0.412   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.047  -1.238   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.333  -1.650   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.382  -1.238   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       0.382  -0.412   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1       1.096  -1.650   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.811  -1.238   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.525  -1.650   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.240  -1.238   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.240  -0.412   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.525   0.000   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.811  -0.412   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.024  -1.492   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.509  -0.825   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       4.024  -0.158   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       5.334  -0.825   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1       2.525  -2.475   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   11   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   17                                                 
CONECT   23   21   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26   34                                            
CONECT   26   25   27   30                                            
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   26   31                                                 
CONECT   31   30   32   33                                            
CONECT   32   31   27                                                 
CONECT   33   31                                                      
CONECT   34   25                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D06HIJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215   0.206   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.501  -0.206   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.786   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.501   1.444   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.072  -0.206   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.072  -1.031   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.072   1.444   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.072   2.269   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.786   2.681   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.357   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.357   1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.072   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.786   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.786   2.269   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.072   2.681   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.357   2.269   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.786  -1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.786  -2.269   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.072  -2.681   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.357  -2.269   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.357  -1.444   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       1.072   0.206   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.357   2.681   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.501   0.206   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1       3.215  -0.206   0.000  1.00  0.00           F  
HETATM   29  O   UNL     1      -1.431  -2.888   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -0.717  -3.300   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       1.429   3.300   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       2.143   2.888   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7   19   23                                            
CONECT    9    5   10   12                                            
CONECT   10    9   11   25                                            
CONECT   11   10                                                      
CONECT   12    9   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15   24                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   31                                            
CONECT   18   17   13                                                 
CONECT   19    8   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   29                                            
CONECT   22   21   23                                                 
CONECT   23   22    8                                                 
CONECT   24   14   26                                                 
CONECT   25   10                                                      
CONECT   26   24   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27                                                      
CONECT   29   21   30                                                 
CONECT   30   29                                                      
CONECT   31   17   32                                                 
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D06HMY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.365   1.593   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.365   0.768   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.650   0.356   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.936   0.768   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.936   1.593   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.650   2.006   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.221   2.006   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.221   0.356   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.221  -0.469   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.507  -0.882   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.507  -1.707   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.207  -2.119   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.922  -1.707   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.922  -0.882   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.207  -0.469   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.507   1.593   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.207   2.006   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.207   2.831   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.507   3.243   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.221   2.831   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.922   3.243   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.637   2.831   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1       0.922   4.068   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       1.637  -2.119   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.637  -2.944   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.351  -3.357   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.065  -2.944   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.065  -2.119   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.351  -1.707   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.351   3.243   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.065   2.831   0.000  1.00  0.00           C  
HETATM   32 CL   UNL     1       0.207  -2.944   0.000  1.00  0.00          Cl  
HETATM   33  C   UNL     1       2.351  -0.882   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.080   2.007   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1      -3.667   2.722   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1      -3.365   1.595   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -4.492   1.293   0.000  1.00  0.00           F  
HETATM   38  C   UNL     1       3.778  -3.355   0.000  1.00  0.00           C  
HETATM   39  F   UNL     1       3.365  -4.070   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1       3.063  -2.943   0.000  1.00  0.00           F  
HETATM   41  F   UNL     1       4.190  -2.641   0.000  1.00  0.00           F  
HETATM   42  C   UNL     1       3.778   3.245   0.000  1.00  0.00           C  
HETATM   43  O   UNL     1       3.778   4.070   0.000  1.00  0.00           O  
HETATM   44  O   UNL     1       4.492   2.832   0.000  1.00  0.00           O  
CONECT    1    2    6   34                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5   16   20                                            
CONECT    8    4    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   32                                            
CONECT   13   12   14   24                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    7   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19    7                                                 
CONECT   21   18   22   23                                            
CONECT   22   21   30                                                 
CONECT   23   21                                                      
CONECT   24   13   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   38                                            
CONECT   28   27   29                                                 
CONECT   29   28   24   33                                            
CONECT   30   22   31                                                 
CONECT   31   30   42                                                 
CONECT   32   12                                                      
CONECT   33   29                                                      
CONECT   34    1   35   36   37                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
CONECT   38   27   39   40   41                                       
CONECT   39   38                                                      
CONECT   40   38                                                      
CONECT   41   38                                                      
CONECT   42   31   43   44                                            
CONECT   43   42                                                      
CONECT   44   42                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
M  END

$$$$
D06HOA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.992  -1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.992  -2.475   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.278  -2.888   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.437  -2.475   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.437  -1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.278  -1.238   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.222  -2.730   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1       1.706  -2.062   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.222  -1.395   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.278  -0.412   0.000  1.00  0.00           N  
HETATM   11 CL   UNL     1      -1.706  -2.888   0.000  1.00  0.00          Cl  
HETATM   12  C   UNL     1       0.437   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.437   0.825   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.278   1.238   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.992   0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.992   0.000   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.151   1.238   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.234   0.612   0.000  1.00  0.00           C  
HETATM   19  S   UNL     1      -0.278   2.062   0.000  1.00  0.00           S  
HETATM   20  C   UNL     1      -0.278   2.888   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.103   2.062   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       0.547   2.062   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    6   12   16                                            
CONECT   11    2                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14   17   18                                       
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   10                                                 
CONECT   17   13                                                      
CONECT   18   13                                                      
CONECT   19   14   20   21   22                                       
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   19                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D06IHB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.561   0.431   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.561  -0.394   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.846  -0.807   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.132  -0.394   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.132   0.431   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.846   0.843   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.417  -0.807   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.297  -0.394   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.297   0.431   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.417   0.843   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.082  -0.649   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.567   0.018   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.082   0.686   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.337   1.470   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.144   1.642   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.399   2.427   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.847   3.040   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.040   2.868   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.785   2.084   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1       2.102   3.824   0.000  1.00  0.00           F  
HETATM   21  S   UNL     1       1.337  -1.434   0.000  1.00  0.00           S  
HETATM   22  N   UNL     1       2.392   0.018   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.550  -2.231   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       2.128  -1.199   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1       0.546  -1.668   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       0.967  -2.814   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.180  -3.611   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.977  -3.824   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.561  -3.241   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.347  -2.444   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10   13                                            
CONECT   10    9    5                                                 
CONECT   11    8   12   21                                            
CONECT   12   11   13   22                                            
CONECT   13   12    9   14                                            
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17                                                      
CONECT   21   11   23   24   25                                       
CONECT   22   12                                                      
CONECT   23   21   26   30                                            
CONECT   24   21                                                      
CONECT   25   21                                                      
CONECT   26   23   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   23                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END

$$$$

$$$$

$$$$
D06IIL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.888  -0.296   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.475  -1.010   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.650  -1.010   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.238  -0.296   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.650   0.419   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.475   0.419   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.412  -0.296   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.000   0.419   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.000  -1.010   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.825  -1.010   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.238  -1.725   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.062  -1.725   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.475  -1.010   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.062  -0.296   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.238  -0.296   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.300  -1.010   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.712  -1.725   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       3.712  -0.296   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       3.300   0.419   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       0.821   0.505   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1       0.992   1.312   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       0.278   1.725   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.336   1.173   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.746   1.648   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1      -3.712  -0.296   0.000  1.00  0.00           F  
CONECT    1    2    6   25                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   20   23                                            
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18                                                      
CONECT   20    8   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22    8                                                 
CONECT   24   21                                                      
CONECT   25    1                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D06IPV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.489  -0.487   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.489  -1.312   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.775  -1.725   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.060  -1.312   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.060  -0.487   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.775  -0.075   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.204  -0.075   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.204  -1.725   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.204   0.750   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.918   1.163   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.633   0.750   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.633  -0.075   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.918  -0.487   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.918  -1.312   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.633  -1.725   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.633  -2.550   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.918  -2.962   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.204  -2.550   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -4.347   1.163   0.000  1.00  0.00          Cl  
HETATM   20 CL   UNL     1      -1.489  -2.962   0.000  1.00  0.00          Cl  
HETATM   21  C   UNL     1       0.553   0.065   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.217   0.819   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.603   0.732   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.360  -0.107   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       1.912   0.506   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1       1.615  -0.891   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.412  -1.105   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.728  -1.867   0.000  1.00  0.00           C  
HETATM   29  S   UNL     1       3.550  -1.801   0.000  1.00  0.00           S  
HETATM   30  C   UNL     1       3.742  -0.999   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.038  -0.568   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       3.550  -2.626   0.000  1.00  0.00           O  
HETATM   33  O   UNL     1       4.347  -2.015   0.000  1.00  0.00           O  
HETATM   34  N   UNL     1       0.630   1.533   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       0.217   2.248   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1       0.630   2.962   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1      -0.608   2.248   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   21                                            
CONECT    6    5    1   23                                            
CONECT    7    9   13    1                                            
CONECT    8    2   14   18                                            
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   19                                            
CONECT   12   11   13                                                 
CONECT   13   12    7                                                 
CONECT   14    8   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17    8   20                                            
CONECT   19   11                                                      
CONECT   20   18                                                      
CONECT   21    5   22   24                                            
CONECT   22   21   23   34                                            
CONECT   23   22    6                                                 
CONECT   24   21   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30   32   33                                       
CONECT   30   29   31                                                 
CONECT   31   30   27                                                 
CONECT   32   29                                                      
CONECT   33   29                                                      
CONECT   34   22   35                                                 
CONECT   35   34   36   37                                            
CONECT   36   35                                                      
CONECT   37   35                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D06JEA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.119  -0.135   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.119  -0.960   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.405  -1.372   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.690  -0.960   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.690  -0.135   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.405   0.278   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.024  -1.372   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.739  -0.960   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.739  -0.135   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.024   0.278   0.000  1.00  0.00           C  
HETATM   11 CL   UNL     1      -2.833   0.278   0.000  1.00  0.00          Cl  
HETATM   12  N   UNL     1       1.453  -1.372   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       2.168  -0.135   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.453   0.278   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       2.781   0.417   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1       2.445   1.171   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       1.625   1.085   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.024   1.103   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.739   1.515   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.739   2.340   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.024   2.753   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.690   2.340   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.690   1.515   0.000  1.00  0.00           C  
HETATM   24  F   UNL     1      -2.833  -1.372   0.000  1.00  0.00           F  
HETATM   25  C   UNL     1       1.240  -2.169   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.823  -2.753   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.833  -1.742   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.250  -1.159   0.000  1.00  0.00           C  
CONECT    1    2    6   11                                            
CONECT    2    1    3   24                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10   14                                            
CONECT   10    9    5   18                                            
CONECT   11    1                                                      
CONECT   12    8   25   28                                            
CONECT   13   14   15                                                 
CONECT   14   13    9   17                                            
CONECT   15   13   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   14                                                 
CONECT   18   10   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24    2                                                      
CONECT   25   12   26                                                 
CONECT   26   25                                                      
CONECT   27   28                                                      
CONECT   28   27   12                                                 
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D06JFS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.620  -1.115   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.795  -1.115   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.383  -0.400   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.795   0.314   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.620   0.314   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.033  -0.400   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.576  -0.229   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.490   0.592   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.243   0.927   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.775   1.004   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.775   1.829   0.000  1.00  0.00           O  
HETATM   12 BR   UNL     1      -4.033  -1.829   0.000  1.00  0.00          Br  
HETATM   13  N   UNL     1      -0.061   0.592   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.122  -0.231   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.482  -0.792   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.298  -0.669   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.711   0.045   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.409   0.813   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.621   1.056   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.850  -1.282   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.604  -0.947   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1       2.518  -0.126   0.000  1.00  0.00           S  
HETATM   23  C   UNL     1       3.318  -1.359   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.033  -0.947   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    4                                                 
CONECT   10    8   11   13                                            
CONECT   11   10                                                      
CONECT   12    1                                                      
CONECT   13   10   14   19                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   13                                                 
CONECT   20   16   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   17                                                 
CONECT   23   21   24                                                 
CONECT   24   23                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D06JHW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.702   0.339   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.988  -0.074   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.273   0.339   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.441  -0.074   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.156   0.339   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.870  -0.074   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.585   0.339   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.870  -0.899   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.585  -1.311   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.299  -0.899   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.299  -0.074   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       4.014   0.339   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       4.014   1.164   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       3.299   1.576   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.585   1.164   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.156   1.164   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       0.441  -0.899   0.000  1.00  0.00           O  
HETATM   18  H   UNL     1       3.299   2.401   0.000  1.00  0.00           H  
HETATM   19  C   UNL     1      -1.915   1.136   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.739   1.179   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.035   0.409   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1      -2.394  -0.110   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.394  -0.935   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.108  -1.348   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.108  -2.173   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.394  -2.585   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.679  -2.173   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.679  -1.348   0.000  1.00  0.00           C  
HETATM   29 CL   UNL     1      -0.965  -2.585   0.000  1.00  0.00          Cl  
HETATM   30  C   UNL     1      -3.189   1.871   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -3.601   2.585   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -4.014   1.871   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -2.776   2.585   0.000  1.00  0.00           F  
CONECT    1    2   19   22                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   17                                            
CONECT    5    4    6   16                                            
CONECT    6    5    7    8                                            
CONECT    7    6   11   15                                            
CONECT    8    6    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    7   12                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14    7                                                 
CONECT   16    5                                                      
CONECT   17    4                                                      
CONECT   18   14                                                      
CONECT   19    1   20                                                 
CONECT   20   19   21   30                                            
CONECT   21   20   22                                                 
CONECT   22   21    1   23                                            
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   23                                                 
CONECT   29   27                                                      
CONECT   30   20   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D06JLW
  -OEChem-09301911242D

 59 61  0     1  0  0  0  0  0999 V2000
    7.1962   -6.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    0.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9641   -1.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.4820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7320    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641   -1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    6.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    5.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    5.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    5.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    5.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    3.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    4.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    4.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    3.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    6.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    7.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    6.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -0.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196   -2.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181   -2.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5841    0.1160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6541   -2.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -3.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
  2 11  1  0  0  0  0
  2 18  1  0  0  0  0
 17  3  1  6  0  0  0
  3 54  1  0  0  0  0
  4 23  1  0  0  0  0
  4 27  1  0  0  0  0
  5 25  1  0  0  0  0
  5 56  1  0  0  0  0
  6 25  2  0  0  0  0
 19  7  1  1  0  0  0
  7 52  1  0  0  0  0
  7 53  1  0  0  0  0
  8 21  2  0  0  0  0
  8 26  1  0  0  0  0
  9 27  2  0  0  0  0
  9 30  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 16  1  0  0  0  0
 10 32  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 33  1  0  0  0  0
 12 14  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 15  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 25  1  0  0  0  0
 18 22  2  0  0  0  0
 18 24  1  0  0  0  0
 19 23  1  0  0  0  0
 19 45  1  0  0  0  0
 20 21  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 22  1  0  0  0  0
 22 48  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 26  2  0  0  0  0
 24 51  1  0  0  0  0
 26 55  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 57  1  0  0  0  0
 29 31  1  0  0  0  0
 29 58  1  0  0  0  0
 30 31  2  0  0  0  0
 30 59  1  0  0  0  0
M  END

$$$$
D06JRV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.931  -0.923   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.106  -0.923   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.693  -0.209   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.106   0.506   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.931   0.506   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.343  -0.209   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1       0.114  -0.037   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.200   0.783   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.554   1.119   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1       0.914   1.196   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.914   2.021   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.629   2.433   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.629   3.258   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.914   3.671   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.200   3.258   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.200   2.433   0.000  1.00  0.00           C  
HETATM   17  F   UNL     1       2.343   2.021   0.000  1.00  0.00           F  
HETATM   18  C   UNL     1       0.727  -0.589   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.343  -1.638   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.931  -2.352   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.640  -1.410   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       1.394  -1.745   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.946  -1.132   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.534  -0.418   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.343  -3.067   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.931  -3.781   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.106  -3.781   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.693  -3.067   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.106  -2.352   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.693  -4.496   0.000  1.00  0.00           O  
HETATM   31  F   UNL     1      -0.515   2.021   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       0.914   4.496   0.000  1.00  0.00           F  
CONECT    1    2    6   19                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8   18                                            
CONECT    8    7    9   10                                            
CONECT    9    8    4                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   32                                            
CONECT   15   14   16                                                 
CONECT   16   15   11   31                                            
CONECT   17   12                                                      
CONECT   18    7   21   24                                            
CONECT   19    1   20                                                 
CONECT   20   19   25   29                                            
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
CONECT   25   20   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   20                                                 
CONECT   30   27                                                      
CONECT   31   16                                                      
CONECT   32   14                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D06KBT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.659   1.278   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.072   0.564   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.247   0.564   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.786   0.151   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.468   0.151   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       1.182   0.564   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.897   0.151   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.611   0.564   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       3.326   0.151   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       4.040   0.564   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       4.040   1.389   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       3.326   1.801   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.611   1.389   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.755   1.801   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       1.897  -0.674   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.501   0.564   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.215   0.151   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.215  -0.674   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.501  -1.087   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.786  -0.674   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.930  -1.087   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.755  -1.087   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.342  -1.801   0.000  1.00  0.00           C  
CONECT    1    2    3                                                 
CONECT    2    1    3    4                                            
CONECT    3    2    1    5                                            
CONECT    4    2   16   20                                            
CONECT    5    3    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    8   15                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11                                                      
CONECT   15    7                                                      
CONECT   16    4   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19    4                                                 
CONECT   21   18   22   23                                            
CONECT   22   21   23                                                 
CONECT   23   22   21                                                 
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END

$$$$

$$$$

$$$$
D06KFU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.610   1.450   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.276   0.699   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.542   0.785   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.713   1.589   0.000  1.00  0.00           N  
HETATM    5  O   UNL     1       0.001   2.001   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1      -0.687  -0.013   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.509  -0.013   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.920  -0.725   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1      -1.920   0.699   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.092   0.174   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.838  -0.608   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.388  -1.219   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.192  -1.048   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.446  -0.266   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.896   0.345   0.000  1.00  0.00           C  
HETATM   16 CL   UNL     1       2.742  -1.659   0.000  1.00  0.00          Cl  
HETATM   17 CL   UNL     1       1.134  -2.001   0.000  1.00  0.00          Cl  
HETATM   18  C   UNL     1      -2.742  -0.725   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4   10                                            
CONECT    4    3    5                                                 
CONECT    5    4    1                                                 
CONECT    6    2    7                                                 
CONECT    7    6    8    9                                            
CONECT    8    7   18                                                 
CONECT    9    7                                                      
CONECT   10    3   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13                                                      
CONECT   17   12                                                      
CONECT   18    8                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D06KKO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.470  -1.383   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.149  -0.838   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.013  -0.029   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.795   0.234   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.414  -0.311   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.252  -1.120   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.871  -1.665   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.652  -1.401   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       0.606   0.516   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       1.411   0.336   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.831   1.046   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.286   1.665   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.528   1.338   0.000  1.00  0.00           C  
HETATM   14  S   UNL     1       2.652   1.123   0.000  1.00  0.00           S  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7                                                      
CONECT    9    3   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    9                                                 
CONECT   14   11                                                      
MASTER        0    0    0    0    0    0    0    0   14    0   14    0
END
M  END

$$$$
D06KNK
  -OEChem-10191522112D

 25 26  0     0  0  0  0  0  0999 V2000
    4.8147    2.1206    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -0.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0934    2.5818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.2546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6456    0.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8366    1.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.0008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.3105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.7718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2444    0.5334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9258    1.0852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3741    1.7667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.3918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.3918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 18  1  0  0  0  0
 11 14  2  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 15  2  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END

$$$$
D06KOH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.786  -0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.072  -0.412   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.357  -0.825   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       0.357  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.072  -0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.786  -0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.786   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.072   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.357   0.412   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.501   0.825   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.215   0.412   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       3.215  -0.412   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       3.930   0.825   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17                                                      
CONECT   19   17                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D06LCB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.192   2.003   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.192   1.178   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.907   0.766   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.621   1.178   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.621   2.003   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.907   2.416   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.907  -0.059   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.192  -0.472   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.192  -1.297   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.907  -1.709   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.621  -1.297   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.621  -0.472   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.192  -2.122   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.478  -1.709   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       1.192  -2.947   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       2.621  -2.122   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.336  -1.709   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.478   0.766   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.236   1.178   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.951   0.766   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.236   2.003   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.705   1.101   0.000  1.00  0.00           C  
HETATM   23  S   UNL     1      -2.257   0.488   0.000  1.00  0.00           S  
HETATM   24  C   UNL     1      -1.844  -0.226   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.037  -0.055   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.180  -0.980   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       1.907   3.241   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.000  -1.066   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.336  -1.820   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.851  -2.487   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -2.030  -2.401   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1      -1.695  -1.647   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1      -3.187  -3.241   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   27                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13   16                                       
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   10   17                                                 
CONECT   17   16                                                      
CONECT   18    2   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   22   25                                            
CONECT   21   19                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   20                                                 
CONECT   26   24   28   32                                            
CONECT   27    6                                                      
CONECT   28   26   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   26                                                 
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END

$$$$

$$$$

$$$$
D06LEF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.154   2.146   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.154   1.321   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.439   0.908   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.725   1.321   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.725   2.146   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.439   2.558   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.010   0.908   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.296   1.321   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.296   2.146   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.010   2.558   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.010   0.084   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.296  -0.329   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.419   0.084   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.419   0.908   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       1.133   1.321   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.133  -0.329   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.133  -1.154   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       0.419  -1.567   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.848  -1.567   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.934  -2.387   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.741  -2.558   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.154  -1.844   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       2.602  -1.231   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   14                                            
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    7   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13    8   15                                            
CONECT   15   14                                                      
CONECT   16   13   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17                                                      
CONECT   19   17   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   19                                                 
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D06LEZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.876  -0.222   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.876  -1.047   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.161  -1.460   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.447  -1.047   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.447  -0.222   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.161   0.190   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.161   1.015   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.494   1.500   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.749   2.285   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -2.574   2.285   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.829   1.500   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.709   1.245   0.000  1.00  0.00           N  
HETATM   13 CL   UNL     1      -3.590  -1.460   0.000  1.00  0.00          Cl  
HETATM   14  O   UNL     1      -0.732   0.190   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.018  -0.222   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.018  -1.047   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.697  -1.460   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.411  -1.047   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.411  -0.222   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.697   0.190   0.000  1.00  0.00           C  
HETATM   21  S   UNL     1       2.126  -1.460   0.000  1.00  0.00           S  
HETATM   22  F   UNL     1       0.697  -2.285   0.000  1.00  0.00           F  
HETATM   23 CL   UNL     1       0.697   1.015   0.000  1.00  0.00          Cl  
HETATM   24  O   UNL     1       1.713  -2.174   0.000  1.00  0.00           O  
HETATM   25  N   UNL     1       2.923  -1.246   0.000  1.00  0.00           N  
HETATM   26  O   UNL     1       2.538  -2.174   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       2.923  -0.421   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.590   0.064   0.000  1.00  0.00           C  
HETATM   29  S   UNL     1       3.335   0.848   0.000  1.00  0.00           S  
HETATM   30  C   UNL     1       2.510   0.848   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       2.255   0.064   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   14                                            
CONECT    6    5    1    7                                            
CONECT    7    6    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    7                                                 
CONECT   12    8                                                      
CONECT   13    2                                                      
CONECT   14    5   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15   23                                            
CONECT   21   18   24   25   26                                       
CONECT   22   17                                                      
CONECT   23   20                                                      
CONECT   24   21                                                      
CONECT   25   21   27                                                 
CONECT   26   21                                                      
CONECT   27   25   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   27                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D06LIQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.841  -0.674   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.556  -1.087   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.127  -1.087   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.412  -0.674   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1       0.302  -1.087   0.000  1.00  0.00           O  
HETATM    6  O   UNL     1      -0.412   0.151   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1       1.016  -0.674   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.016   0.151   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.731   0.564   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.445   0.151   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.445  -0.674   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.731  -1.087   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.270  -0.674   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.731   1.389   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.270  -0.674   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.858  -1.389   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.841   0.151   0.000  1.00  0.00           C  
CONECT    1    2    3   17                                            
CONECT    2    1   13                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    7                                                 
CONECT    6    4                                                      
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15   16                                       
CONECT   12   11    7                                                 
CONECT   13    2                                                      
CONECT   14    9                                                      
CONECT   15   11                                                      
CONECT   16   11                                                      
CONECT   17    1                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D06LMS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.930  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.215  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.644   0.206   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1      -4.644  -1.444   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.072  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.357   0.206   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.357  -0.206   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.072   0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.357   1.031   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       2.501   0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.215  -0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.930   0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.930   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.215   1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.501   1.031   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       4.644   1.444   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    9                                            
CONECT    7    2                                                      
CONECT    8    3                                                      
CONECT    9    6   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   16                                                 
CONECT   15   11                                                      
CONECT   16   14   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   19                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D06LSZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.362   2.901   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.362   2.076   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.648   1.663   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.067   2.076   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.067   2.901   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.648   3.313   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.851   1.821   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.336   2.489   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1       0.851   3.156   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -2.077   1.663   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.791   2.076   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.506   1.663   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.791   2.901   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -4.331   1.663   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.918   0.949   0.000  1.00  0.00           C  
HETATM   16  F   UNL     1      -4.743   2.378   0.000  1.00  0.00           F  
HETATM   17  F   UNL     1      -5.128   1.450   0.000  1.00  0.00           F  
HETATM   18  C   UNL     1       1.106   1.036   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.621   0.369   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.106  -0.298   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.891  -0.043   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.891   0.781   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       0.935  -1.105   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.548  -1.657   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.332  -1.403   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.504  -0.596   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       2.945  -1.954   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       2.774  -2.761   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.387  -3.313   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       4.172  -3.059   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       4.343  -2.252   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.730  -1.700   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       5.128  -1.997   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   18                                            
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    2   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11   14   15                                            
CONECT   13   11                                                      
CONECT   14   12   15   16   17                                       
CONECT   15   14   12                                                 
CONECT   16   14                                                      
CONECT   17   14                                                      
CONECT   18    7   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22   26                                            
CONECT   22   21   18                                                 
CONECT   23   20   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   21                                                 
CONECT   27   25   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   33                                            
CONECT   32   31   27                                                 
CONECT   33   31                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END

$$$$

$$$$

$$$$
D06MBI
  -OEChem-10191521462D

 32 33  0     0  0  0  0  0  0999 V2000
    6.4103   -1.1885    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939   -2.1158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    0.4210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    1.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -0.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0531    2.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939   -0.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939   -1.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4939   -1.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2679    1.0795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1035    1.8594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5146    2.5299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6391    2.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917    1.7017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.1938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3039    0.1532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4939   -1.8698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1139   -1.2498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4939   -0.6298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.6532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.1938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.4207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2 11  1  0  0  0  0
  2 17  1  0  0  0  0
  3 15  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 10  1  0  0  0  0
  8 14  2  0  0  0  0
  9 11  2  0  0  0  0
  9 20  1  0  0  0  0
 10 13  2  0  0  0  0
 10 21  1  0  0  0  0
 11 13  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
M  END

$$$$
D06MHK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.920  -1.360   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.205  -0.948   0.000  1.00  0.00           C  
HETATM    3  O   UNL     1      -1.491  -1.360   0.000  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.776  -0.948   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.062  -1.360   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.653  -0.948   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.653  -0.123   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.062   0.290   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.776  -0.123   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.367   0.290   0.000  1.00  0.00           C  
HETATM   11  CA  UNL     1       1.367   1.115   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.082   1.527   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.796   1.115   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.511   1.527   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       4.225   1.115   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       0.653   1.527   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.062   1.115   0.000  1.00  0.00           O  
HETATM   18  OXT UNL     1       0.653   2.352   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       2.796   0.290   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1       3.511   2.352   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.205  -0.123   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.673  -1.025   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.225  -1.638   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.813  -2.352   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.006  -2.181   0.000  1.00  0.00           O  
CONECT    1    2   22   25                                            
CONECT    2    1    3   21                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    4                                                 
CONECT   10    7   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   19                                            
CONECT   14   13   15   20                                            
CONECT   15   14                                                      
CONECT   16   11   17   18                                            
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19   13                                                      
CONECT   20   14                                                      
CONECT   21    2                                                      
CONECT   22    1   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24    1                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D06MIW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.148   0.080   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.061  -0.741   0.000  1.00  0.00           N  
HETATM    3  N   UNL     1      -0.255  -0.912   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.158  -0.198   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.394   0.416   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.675  -1.292   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.459  -1.038   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.072  -1.590   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.901  -2.397   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.116  -2.651   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.503  -2.099   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -0.718  -2.354   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1       0.979  -0.111   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.531  -0.724   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.862   0.492   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.862   1.317   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.577   1.730   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.291   1.317   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.291   0.492   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.577   0.080   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1      -4.006   1.730   0.000  1.00  0.00          Cl  
HETATM   22  O   UNL     1       1.274   0.659   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       2.356  -0.724   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.223   1.223   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.635   1.937   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.460   1.937   0.000  1.00  0.00           N  
HETATM   27  N   UNL     1      -0.223   2.651   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       2.768  -0.010   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       3.593  -0.010   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       4.006   0.705   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.006  -0.724   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.593   1.419   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.593  -1.439   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1      -1.873   2.651   0.000  1.00  0.00           O  
CONECT    1    2    5   15                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    1   24                                            
CONECT    6    2    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    6   12                                            
CONECT   12   11                                                      
CONECT   13    4   14   22                                            
CONECT   14   13   23                                                 
CONECT   15    1   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18                                                      
CONECT   22   13                                                      
CONECT   23   14   28                                                 
CONECT   24    5   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   34                                                 
CONECT   27   25                                                      
CONECT   28   23   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29   32                                                 
CONECT   31   29   33                                                 
CONECT   32   30                                                      
CONECT   33   31                                                      
CONECT   34   26                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D06MPH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.297   0.880   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.211   0.059   0.000  1.00  0.00           N  
HETATM    3  N   UNL     1      -0.404  -0.112   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.009   0.602   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.543   1.216   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.824  -0.493   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.609  -0.238   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.222  -0.790   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.050  -1.597   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.265  -1.852   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.652  -1.300   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -0.868  -1.554   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1      -0.257   2.022   0.000  1.00  0.00           C  
HETATM   14 CL   UNL     1      -3.663  -2.149   0.000  1.00  0.00          Cl  
HETATM   15  C   UNL     1       0.829   0.689   0.000  1.00  0.00           C  
HETATM   16  S   UNL     1       1.381   0.075   0.000  1.00  0.00           S  
HETATM   17  C   UNL     1       2.135   0.411   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.049   1.232   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1       1.242   1.403   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.012   1.292   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.012   2.117   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.726   2.530   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.441   2.117   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.441   1.292   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.726   0.880   0.000  1.00  0.00           C  
HETATM   26 BR   UNL     1      -4.155   2.530   0.000  1.00  0.00          Br  
HETATM   27  C   UNL     1       2.849  -0.001   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       2.936  -0.822   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1       3.743  -0.993   0.000  1.00  0.00           N  
HETATM   30  N   UNL     1       4.155  -0.279   0.000  1.00  0.00           N  
HETATM   31  N   UNL     1       3.603   0.334   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       2.322  -1.374   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.515  -1.202   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.103  -1.917   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.655  -2.530   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.409  -2.194   0.000  1.00  0.00           C  
CONECT    1    2    5   20                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   15                                            
CONECT    5    4    1   13                                            
CONECT    6    2    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10    6   12                                            
CONECT   12   11                                                      
CONECT   13    5                                                      
CONECT   14    9                                                      
CONECT   15    4   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   27                                            
CONECT   18   17   19                                                 
CONECT   19   18   15                                                 
CONECT   20    1   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23                                                      
CONECT   27   17   28   31                                            
CONECT   28   27   29   32                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   27                                                 
CONECT   32   28   33   36                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   32                                                 
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D06MQB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.533   0.077   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.533  -0.748   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.819  -1.161   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.104  -0.748   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.104   0.077   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.819   0.489   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.320  -1.003   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -0.835  -0.336   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.320   0.332   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.065   1.117   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.258   1.288   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.294   0.675   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.101   0.846   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.356   1.631   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.804   2.244   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.003   2.073   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.819   1.314   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.163   1.803   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.106  -1.800   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.690  -2.383   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.476  -3.180   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.679  -3.394   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.096  -2.810   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.309  -2.013   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.274  -1.430   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       0.857  -0.847   0.000  1.00  0.00           N  
HETATM   27  N   UNL     1       2.731   1.204   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       3.533   1.397   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.497   0.413   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.377   2.600   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       3.171   2.387   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       2.589   3.394   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       1.583   2.812   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   17                                            
CONECT    7    4    8   19                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    6                                                      
CONECT   18   30   14   27                                            
CONECT   19   20   24    7                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19   25                                            
CONECT   25   24   26                                                 
CONECT   26   25                                                      
CONECT   27   18   28   29                                            
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   31   32   33   18                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D06MSZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.731   1.073   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.731   0.248   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.016  -0.165   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.302   0.248   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.302   1.073   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.016   1.485   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.016  -0.990   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.302  -1.402   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.587  -0.990   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.587  -0.165   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.873   0.248   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.158  -0.165   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1      -0.873   1.073   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.556   0.248   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.310  -0.088   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.862   0.525   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.449   1.240   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.642   1.068   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.565  -0.872   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.372  -1.044   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.924  -0.431   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.669   0.354   0.000  1.00  0.00           C  
HETATM   23 CL   UNL     1       1.013  -1.485   0.000  1.00  0.00          Cl  
HETATM   24 CL   UNL     1       3.731  -0.602   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    4   11                                            
CONECT   11   10   12   13                                            
CONECT   12   11   14                                                 
CONECT   13   11                                                      
CONECT   14   12   15   18                                            
CONECT   15   14   16   19                                            
CONECT   16   15   17   22                                            
CONECT   17   16   18                                                 
CONECT   18   17   14                                                 
CONECT   19   15   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   16                                                 
CONECT   23   19                                                      
CONECT   24   21                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D06MXI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.685  -0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.685  -1.238   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.971  -1.650   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.256  -1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.256  -0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.971   0.000   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.542  -1.650   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.971  -2.475   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.542   0.000   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.542   0.825   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.256   1.238   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.827   1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.113   0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.398   1.238   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.398   2.062   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.113   2.475   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.827   2.062   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -2.542   2.475   0.000  1.00  0.00          Cl  
HETATM   19  N   UNL     1       0.316   0.825   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.030   1.238   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.745   0.825   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       1.030   2.062   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.745   0.000   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.459  -0.412   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.174   0.000   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.174   0.825   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.459   1.238   0.000  1.00  0.00           C  
HETATM   28 CL   UNL     1       2.459   2.062   0.000  1.00  0.00          Cl  
HETATM   29  S   UNL     1       3.888  -0.412   0.000  1.00  0.00           S  
HETATM   30  C   UNL     1       3.888  -1.238   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       4.301   0.302   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       4.685  -0.626   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4                                                      
CONECT    8    3                                                      
CONECT    9    5   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   18                                            
CONECT   18   17                                                      
CONECT   19   14   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   23   27                                            
CONECT   22   20                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   21   28                                            
CONECT   28   27                                                      
CONECT   29   25   30   31   32                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D06NBL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.844  -0.992   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.431  -1.706   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.606  -1.706   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.194  -0.992   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.606  -0.278   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.431  -0.278   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.387  -0.820   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.301   0.000   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.054   0.336   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.586   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.872   0.000   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.157   0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.157   1.238   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.872   1.650   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.586   1.238   0.000  1.00  0.00           C  
HETATM   16 CL   UNL     1      -2.301   1.650   0.000  1.00  0.00          Cl  
HETATM   17  N   UNL     1       0.557   0.000   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.272   0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.986   0.000   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.701   0.412   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.701   1.238   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       1.986   1.650   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       1.272   1.238   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.986  -0.825   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.701  -1.238   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.415  -0.825   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.415   0.000   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       4.129   0.412   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       4.844   0.000   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       2.701  -2.062   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       3.415  -2.475   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.774  -1.373   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.986   2.475   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   32                                            
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10   16                                            
CONECT   16   15                                                      
CONECT   17   12   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21   27                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   33                                            
CONECT   23   22   18                                                 
CONECT   24   19   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   20   28                                            
CONECT   28   27   29                                                 
CONECT   29   28                                                      
CONECT   30   25   31                                                 
CONECT   31   30                                                      
CONECT   32    7                                                      
CONECT   33   22                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D06NPZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.537   1.768   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.537   0.943   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.248   0.688   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.733   1.355   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.248   2.023   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.251   2.180   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.966   1.768   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.966   0.943   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.251   0.530   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -2.680   0.530   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.434   0.866   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.986   0.253   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.573  -0.462   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.766  -0.290   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.153  -0.842   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.230  -1.663   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.558  -2.141   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.808  -1.797   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.731  -0.976   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.403  -0.498   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1      -2.980  -2.007   0.000  1.00  0.00           F  
HETATM   22  F   UNL     1       0.018  -0.629   0.000  1.00  0.00           F  
HETATM   23  C   UNL     1       0.503  -0.097   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.310  -0.268   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.565  -1.053   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       1.013  -1.666   0.000  1.00  0.00           O  
HETATM   27  N   UNL     1       2.372  -1.224   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       2.627  -2.009   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.434  -2.180   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       3.986  -1.567   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       3.731  -0.783   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.924  -0.611   0.000  1.00  0.00           C  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   23                                            
CONECT    4    3    5                                                 
CONECT    5    4    1                                                 
CONECT    6    1    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10   15                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   15                                                 
CONECT   21   16                                                      
CONECT   22   19                                                      
CONECT   23    3   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25                                                      
CONECT   27   25   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D06NRQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.265   0.441   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.440   0.437   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.027   1.151   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.798   1.151   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.053   1.936   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.385   2.421   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.282   1.936   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.210   0.437   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.035   0.437   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.448  -0.278   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.448   1.151   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.749   1.109   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.534   0.855   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.534   0.030   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1      -1.749  -0.226   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1      -3.248   1.268   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.963   0.855   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.963   0.030   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.248  -0.383   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1      -4.677  -0.383   0.000  1.00  0.00           F  
HETATM   21  C   UNL     1       2.035  -0.992   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.448  -1.706   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.273  -1.706   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.685  -0.992   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.273  -0.278   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       3.685   0.437   0.000  1.00  0.00           N  
HETATM   27  N   UNL     1       4.506   0.523   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       4.677   1.330   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.963   1.743   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       3.350   1.191   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       0.798  -0.278   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1       2.035  -2.421   0.000  1.00  0.00           F  
CONECT    1    2   12   15                                            
CONECT    2    1    3                                                 
CONECT    3    4    7    2                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    3                                                 
CONECT    8    9    4   31                                            
CONECT    9    8   10   11                                            
CONECT   10    9   21   25                                            
CONECT   11    9                                                      
CONECT   12    1   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   19                                            
CONECT   15   14    1                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   14                                                 
CONECT   20   18                                                      
CONECT   21   10   22                                                 
CONECT   22   21   23   32                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   10   26                                            
CONECT   26   25   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   26                                                 
CONECT   31    8                                                      
CONECT   32   22                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D06NZY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.574  -0.263   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.574  -1.088   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.859  -1.500   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.145  -1.088   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.145  -0.263   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.859   0.150   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.430   0.150   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.716  -0.263   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.001   0.150   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.001   0.975   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.716   1.387   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.430   0.975   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.716   2.212   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.713  -0.263   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.713  -1.088   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.428  -1.500   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.142  -1.088   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       2.142  -0.263   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.428   0.150   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.857   0.150   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.571  -0.263   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.286   0.150   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       4.286   0.975   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       3.571   1.387   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.857   0.975   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       5.000  -0.263   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.288  -1.500   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1      -4.699  -0.788   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -5.000  -1.911   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -3.877  -2.212   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2   27    1    3                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11    7                                                 
CONECT   13   11                                                      
CONECT   14    9   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   14                                                 
CONECT   20   18   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   22                                                      
CONECT   27   28   29   30    2                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D06OKT
  -OEChem-09301911172D

 55 58  0     1  0  0  0  0  0999 V2000
   10.3517    3.6057    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7396    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2788   -2.7677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -3.6057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -1.0076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5388   -1.5076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -1.8736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0000   -1.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5878   -0.1986    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.5000   -0.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000   -1.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5388   -0.5076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5878   -1.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000   -0.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000   -1.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2788    0.7525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000   -1.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3006    0.9604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9479    1.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -1.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9916    1.9115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6389    2.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6607    2.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -2.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -2.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -3.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -1.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -3.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0262    0.2398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0826    0.0705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923    0.4690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923   -2.4842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0826   -2.0857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1554   -0.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6677    0.0989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6077    0.4690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9174   -2.0857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6077   -2.4842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0404   -1.8720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1077   -0.3970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4174   -0.7955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8858    0.4997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5544    1.3667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3923   -2.4842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0826   -2.0857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3852    2.0404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0537    2.9074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1900   -1.3367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100   -4.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100   -1.3367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900   -4.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900   -1.3367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 30  1  0  0  0  0
  3 13  2  0  0  0  0
  4 24  2  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 17  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 42  1  0  0  0  0
  7 20  1  0  0  0  0
  7 24  1  0  0  0  0
  7 51  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  1  0  0  0  0
  9 16  1  0  0  0  0
  9 31  1  0  0  0  0
 10 14  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 15  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 21  1  0  0  0  0
 18 45  1  0  0  0  0
 19 22  2  0  0  0  0
 19 46  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 23  2  0  0  0  0
 21 49  1  0  0  0  0
 22 23  1  0  0  0  0
 22 50  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 52  1  0  0  0  0
 27 29  2  0  0  0  0
 27 53  1  0  0  0  0
 28 30  2  0  0  0  0
 28 54  1  0  0  0  0
 29 30  1  0  0  0  0
 29 55  1  0  0  0  0
M  END

$$$$
D06OKX
  -OEChem-09301911172D

 49 53  0     0  0  0  0  0  0999 V2000
    4.0281   -2.2327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7716    1.3684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1287   -0.3264    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4859   -3.6307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0858    0.0861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371   -0.8314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3644   -1.5941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0822    2.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0607    2.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3714    3.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4859   -2.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5397   -2.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5397   -3.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0695   -2.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7751   -0.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6737   -1.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6737   -3.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8076   -2.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8076   -3.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9416   -1.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3590   -1.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4756    2.1911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0813    1.9055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6745    2.4378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8674    3.3553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0318    2.5753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9183    3.1837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7539    3.9636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7045    4.6334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1112    4.1011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2299    4.5476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4723    4.7952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1649    1.2406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6105    1.4197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6895   -2.8259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6785   -4.2200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1892   -1.3259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6737   -1.2059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6737   -4.4459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2707   -3.6359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1122   -2.1605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  9  1  0  0  0  0
  2 15  1  0  0  0  0
  2 40  1  0  0  0  0
  3 15  2  0  0  0  0
  3 17  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  4 43  1  0  0  0  0
  5 16  2  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  2  0  0  0  0
  7 28  2  0  0  0  0
  8 28  1  0  0  0  0
  8 48  1  0  0  0  0
  8 49  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 29  1  0  0  0  0
 10 12  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 13  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 14  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 42  1  0  0  0  0
 22 44  1  0  0  0  0
 23 25  2  0  0  0  0
 23 45  1  0  0  0  0
 24 26  2  0  0  0  0
 24 46  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 47  1  0  0  0  0
M  END

$$$$
D06OSE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.358   0.206   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       1.073   0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.787   0.206   0.000  1.00  0.00           C  
HETATM    4  O   UNL     1       1.073   1.444   0.000  1.00  0.00           O  
HETATM    5  C   UNL     1       1.787  -0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.502  -1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.216  -0.619   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.216   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.502   0.619   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       2.502   1.444   0.000  1.00  0.00           O  
HETATM   11  S   UNL     1       2.502  -1.856   0.000  1.00  0.00           S  
HETATM   12  C   UNL     1       3.216   1.856   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.216   2.681   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.502  -2.681   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       3.327  -1.856   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       1.677  -1.856   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.073  -1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.356   0.619   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.070   0.206   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.070  -0.619   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.356  -1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.358  -0.619   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.785  -1.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.499  -0.619   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.214  -1.031   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.214  -1.856   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.499  -2.269   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.785  -1.856   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.928  -0.619   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.643  -1.031   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.643  -1.856   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.928  -2.269   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1      -2.499   0.206   0.000  1.00  0.00           F  
HETATM   34  C   UNL     1       3.931   1.444   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1       3.520   0.732   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1       4.643   1.033   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1       4.342   2.156   0.000  1.00  0.00           F  
CONECT    1    2   18   22                                            
CONECT    2    1    3    4                                            
CONECT    3    2    5    9                                            
CONECT    4    2                                                      
CONECT    5    3    6   17                                            
CONECT    6    5    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    3   10                                            
CONECT   10    9   12                                                 
CONECT   11    6   14   15   16                                       
CONECT   12   34   10   13                                            
CONECT   13   12                                                      
CONECT   14   11                                                      
CONECT   15   11                                                      
CONECT   16   11                                                      
CONECT   17    5                                                      
CONECT   18    1   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21    1                                                 
CONECT   23   20   24   28                                            
CONECT   24   23   25   33                                            
CONECT   25   24   26   29                                            
CONECT   26   25   27   32                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   25   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   26                                                 
CONECT   33   24                                                      
CONECT   34   35   36   37   12                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D06OTA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.824   0.084   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.001   0.080   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.413   0.794   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.238   0.794   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.494   1.579   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.826   2.064   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.159   1.579   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.651   0.080   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.476   0.080   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.889  -0.635   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.889   0.794   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.231   0.802   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.056   0.802   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.474   0.084   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.056  -0.634   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.231  -0.634   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.383   1.008   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.476  -1.349   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.889  -2.064   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.713  -2.064   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.126  -1.349   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.713  -0.635   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       1.651  -1.349   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1       1.166  -0.682   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       0.382  -0.937   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.382  -1.762   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       1.166  -2.017   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.301   0.084   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1      -3.301  -0.741   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -4.126   0.084   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -3.301   0.909   0.000  1.00  0.00           F  
CONECT    1    2   12   16                                            
CONECT    2    1    3                                                 
CONECT    3    4    7    2   17                                       
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    3                                                 
CONECT    8    9    4                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   18   22                                            
CONECT   11    9                                                      
CONECT   12    1   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   28                                            
CONECT   15   14   16                                                 
CONECT   16   15    1                                                 
CONECT   17    3                                                      
CONECT   18   10   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   10                                                 
CONECT   23   18   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   23                                                 
CONECT   28   14   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D06OXO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.946   2.810   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.946   1.985   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.232   1.573   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.517   1.985   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.517   2.810   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.232   3.223   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.232   4.048   0.000  1.00  0.00           C  
HETATM    8  S   UNL     1      -4.232   0.748   0.000  1.00  0.00           S  
HETATM    9  N   UNL     1      -4.232  -0.077   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.517  -0.490   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.803  -0.077   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.088  -0.490   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.374  -0.077   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.659  -0.490   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.055  -0.077   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       0.770  -0.490   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.484  -0.077   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -5.057   0.748   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1      -3.407   0.748   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.803   0.748   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1       0.770  -1.315   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       2.199  -0.490   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.913  -0.077   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.913   0.748   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.199   1.160   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.484   0.748   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       0.770   1.160   0.000  1.00  0.00           F  
HETATM   28  C   UNL     1       3.628  -0.490   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.496  -1.573   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.781  -1.985   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.067  -1.573   0.000  1.00  0.00           O  
HETATM   32  N   UNL     1      -2.781  -2.810   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1      -2.067  -3.223   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.352  -3.635   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.067  -4.048   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.352  -2.810   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.628  -1.315   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       4.342  -1.727   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       5.057  -1.315   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       5.057  -0.490   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       4.342  -0.077   0.000  1.00  0.00           C  
HETATM   42  F   UNL     1       4.342   0.748   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    3    9   18   19                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   29                                            
CONECT   11   10   12   20                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   22   26                                            
CONECT   18    8                                                      
CONECT   19    8                                                      
CONECT   20   11                                                      
CONECT   21   16                                                      
CONECT   22   17   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   17   27                                            
CONECT   27   26                                                      
CONECT   28   23   37   41                                            
CONECT   29   10   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30                                                      
CONECT   32   30   33                                                 
CONECT   33   32   34   35   36                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
CONECT   37   28   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41                                                 
CONECT   41   40   28   42                                            
CONECT   42   41                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D06PIO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.173   0.999   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.173   0.174   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.459  -0.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.256   0.174   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.256   0.999   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.459   1.411   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.041  -0.081   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.526   0.587   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.041   1.254   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.296   2.038   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       0.744   2.652   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       2.103   2.210   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.655   1.597   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.400   0.812   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.952   0.199   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.759   0.371   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.014   1.155   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.462   1.768   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.887  -0.238   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.641   0.097   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.193  -0.516   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.781  -1.230   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1      -1.974  -1.059   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.896   0.882   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.344   1.495   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.116  -1.984   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.703   1.053   0.000  1.00  0.00           O  
HETATM   28  N   UNL     1      -4.014  -0.430   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.631  -2.652   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   19                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19    2   20   23                                            
CONECT   20   19   21   24                                            
CONECT   21   20   22   28                                            
CONECT   22   21   23   26                                            
CONECT   23   22   19                                                 
CONECT   24   20   25   27                                            
CONECT   25   24                                                      
CONECT   26   22   29                                                 
CONECT   27   24                                                      
CONECT   28   21                                                      
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D06PIP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.957   2.079   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.957   1.254   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.243   0.841   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.528   1.254   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.528   2.079   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.243   2.491   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -3.243   3.316   0.000  1.00  0.00           F  
HETATM    8  F   UNL     1      -3.243   0.016   0.000  1.00  0.00           F  
HETATM    9  C   UNL     1      -1.814   0.841   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.814   0.016   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.099  -0.397   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.385   0.016   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.385   0.841   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.099   1.254   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.099   2.079   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1       0.330  -0.397   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.416  -1.217   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.223  -1.389   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.635  -0.674   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.083  -0.061   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.775  -2.002   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.528  -1.666   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.442  -0.846   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       3.243  -2.904   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       2.528  -3.316   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.957  -3.316   0.000  1.00  0.00           C  
HETATM   27  S   UNL     1       3.341  -2.126   0.000  1.00  0.00           S  
HETATM   28  O   UNL     1       3.058  -2.902   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1       2.528  -1.983   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    3                                                      
CONECT    9   10   14    4                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13    9   15                                            
CONECT   15   14                                                      
CONECT   16   17   20   12                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20   23                                            
CONECT   20   19   16                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   19                                                 
CONECT   24   25   26   27                                            
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   22   24   28   29                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D06PPD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.119   1.631   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.294   1.631   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.881   0.917   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.294   0.202   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.119   0.202   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.531   0.917   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.057   0.917   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.428   1.584   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.213   1.329   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.213   0.504   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.428   0.249   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.927   1.742   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.642   1.329   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.642   0.504   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.927   0.092   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.357   0.092   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.173  -0.535   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.726  -1.149   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.532  -0.977   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1      -0.471  -1.933   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.336  -2.105   0.000  1.00  0.00           C  
HETATM   22 CL   UNL     1       3.357   0.917   0.000  1.00  0.00          Cl  
HETATM   23 CL   UNL     1       2.531   2.346   0.000  1.00  0.00          Cl  
HETATM   24  C   UNL     1      -1.729  -1.762   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.146  -2.346   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.213  -1.691   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.001  -0.894   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.798  -0.681   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.381  -1.264   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.167  -2.061   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.371  -2.274   0.000  1.00  0.00           C  
CONECT    1    2    6   23                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   22                                            
CONECT    7    3    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11   15                                            
CONECT   11   10    7   17                                            
CONECT   12    9   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   10                                                 
CONECT   16   14                                                      
CONECT   17   11   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   21   25                                            
CONECT   21   20   26                                                 
CONECT   22    6                                                      
CONECT   23    1                                                      
CONECT   24   25                                                      
CONECT   25   20   24                                                 
CONECT   26   21   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D06PTW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.704   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.704   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.418   0.412   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       2.133   0.825   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.133   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.418   2.062   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.418  -0.412   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.704  -0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.704  -1.650   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.418  -2.062   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.133  -1.650   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.133  -0.825   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.011   0.412   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.725   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.440   0.412   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.725   1.650   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.193   0.748   0.000  1.00  0.00           C  
HETATM   18  S   UNL     1      -2.745   0.135   0.000  1.00  0.00           S  
HETATM   19  C   UNL     1      -2.333  -0.580   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.526  -0.408   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.668  -1.333   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.418   2.888   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.475  -1.505   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.562  -2.325   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1      -2.808  -2.661   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.256  -2.048   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.133  -2.475   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.847  -2.888   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       3.562  -2.475   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       3.562  -1.650   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.847  -1.238   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   22                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   27   31                                       
CONECT   12   11    7                                                 
CONECT   13    2   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   17   20                                            
CONECT   16   14                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   15                                                 
CONECT   21   19   23   26                                            
CONECT   22    6                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   11   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   11                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END

$$$$

$$$$

$$$$
D06QPW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.051   1.511   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.051   0.686   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.337   0.273   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.623   0.686   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.623   1.511   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.337   1.923   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.838   0.431   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.353   1.098   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.838   1.766   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.583  -0.354   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.135  -0.967   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.880  -1.752   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.073  -1.923   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.521  -1.310   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.776  -0.525   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1       0.286  -1.482   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.869  -0.898   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.666  -1.112   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.249  -0.528   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.036   0.269   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.239   0.482   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.656  -0.101   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.619   0.852   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       2.406   1.649   0.000  1.00  0.00           O  
HETATM   25  N   UNL     1       3.255   0.624   0.000  1.00  0.00           N  
HETATM   26  O   UNL     1       4.051   0.838   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    7   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   10                                                 
CONECT   16   14   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   20   24   25                                            
CONECT   24   23                                                      
CONECT   25   23   26                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D06QRW
  -OEChem-10121500552D

 23 23  0     0  0  0  0  0  0999 V2000
    9.4651    1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  8  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 18  1  0  0  0  0
  4  7  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  9  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  2  0  0  0  0
 13 23  1  0  0  0  0
M  END

$$$$
D06RBE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.327   1.649   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.913   0.935   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.088   0.936   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.677   1.651   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.090   2.365   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.915   2.364   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.535   0.324   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.782   0.661   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.870   1.481   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.621  -0.496   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.953  -0.981   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.199  -0.644   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.114   0.177   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.469  -1.128   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.469  -1.953   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.183  -2.365   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.246  -2.365   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.898  -1.953   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.612  -2.365   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.327  -1.953   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.327  -1.128   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.612  -0.716   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.898  -1.128   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8   10                                            
CONECT    8    7    9   13                                            
CONECT    9    8    4                                                 
CONECT   10    7   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    8                                                 
CONECT   14   12   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END

$$$$

$$$$

$$$$
D06RBL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -2.269   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -3.094   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -3.506   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -3.094   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072  -2.269   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786  -1.856   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.786  -1.031   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.501  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.072  -0.619   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.072   0.206   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.215  -3.506   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.786   0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.786   1.444   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.501   1.856   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.215   1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.215   0.619   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.501   2.681   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.786   3.094   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.786   3.919   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.501   4.331   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.215   3.919   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.215   3.094   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.930  -3.094   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.215  -4.331   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.786  -4.331   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.357  -1.031   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.357  -1.856   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.357  -2.269   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.072  -1.856   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.072  -1.031   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.357  -0.619   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       1.786  -2.269   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1       2.501  -1.856   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.215  -2.269   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.930  -1.856   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.930  -1.031   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       3.215  -0.619   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       2.501  -1.031   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   12                                            
CONECT    3    2    4   26                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8   13   17                                            
CONECT   10    7   11   27                                            
CONECT   11   10                                                      
CONECT   12    2   24   25                                            
CONECT   13    9   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16    9                                                 
CONECT   18   15   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   12                                                      
CONECT   25   12                                                      
CONECT   26    3                                                      
CONECT   27   10   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   30   34                                                 
CONECT   34   33   35   39                                            
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   34                                                 
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D06RIO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.103   0.535   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.103  -0.290   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.389  -0.702   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.674  -0.290   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.674   0.535   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.389   0.948   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.960  -0.702   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.245  -0.290   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.469  -0.702   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.469  -1.527   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.184  -1.940   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.898  -1.527   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.898  -0.702   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.184  -0.290   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       2.613  -1.940   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       3.327  -1.527   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.042  -1.940   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       3.327  -0.702   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       4.756  -1.527   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       5.471  -1.940   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       6.185  -1.527   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.817   0.948   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.904   1.768   0.000  1.00  0.00           N  
HETATM   24  O   UNL     1      -4.711   1.940   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.123   1.225   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.571   0.612   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.930   1.054   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.185   0.269   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.633  -0.344   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.826  -0.172   0.000  1.00  0.00           C  
CONECT    1    2    6   22                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   19                                                 
CONECT   18   16                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20                                                      
CONECT   22    1   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   22   30                                            
CONECT   27   25   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   26                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D06RNU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   0.412   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.357  -1.238   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.357  -0.825   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.357   0.000   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.357   0.412   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.357   1.238   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.357   1.650   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.072   1.238   0.000  1.00  0.00           N  
HETATM   14  O   UNL     1       0.357   2.475   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.072  -1.238   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.072  -2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.786  -2.475   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.501  -2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.501  -1.238   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.786  -0.825   0.000  1.00  0.00           C  
HETATM   21  H   UNL     1       0.357  -2.475   0.000  1.00  0.00           H  
HETATM   22  C   UNL     1       1.786   1.650   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.070   0.412   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   15                                            
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   22   23                                            
CONECT   14   12                                                      
CONECT   15    8   16   20                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   16                                                      
CONECT   22   13                                                      
CONECT   23   13                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D06RWL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.986   0.619   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.986  -0.206   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.271  -0.619   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.443  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.443   0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.271   1.031   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.770   0.874   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.255   0.206   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.770  -0.461   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.080   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.493   0.921   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.318   0.921   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.730   0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.318  -0.508   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.493  -0.508   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.271   1.856   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.158  -0.619   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.872  -0.206   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.587  -0.619   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.587  -1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.301  -1.856   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.016  -1.444   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.016  -0.619   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.301  -0.206   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.301   0.619   0.000  1.00  0.00           C  
HETATM   26 CL   UNL     1       4.730  -0.206   0.000  1.00  0.00          Cl  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   17                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   16                                            
CONECT    7    1    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    6                                                      
CONECT   17    4   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   19   25                                            
CONECT   25   24                                                      
CONECT   26   23                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D06SKI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.199   2.681   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.199   1.856   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.484   1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.770   1.856   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.770   2.681   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.484   3.094   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.484   0.619   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.770   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.055   0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.659   0.206   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.770  -0.619   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1      -1.484  -1.031   0.000  1.00  0.00           O  
HETATM   13  N   UNL     1       0.659  -0.619   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.374  -1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.374  -1.856   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.272   0.758   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       0.937   1.512   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       0.116   1.426   0.000  1.00  0.00           N  
HETATM   19  F   UNL     1      -1.484   3.919   0.000  1.00  0.00           F  
HETATM   20 BR   UNL     1      -2.913   3.094   0.000  1.00  0.00          Br  
HETATM   21  O   UNL     1       2.088  -2.269   0.000  1.00  0.00           O  
HETATM   22  S   UNL     1       2.088  -3.094   0.000  1.00  0.00           S  
HETATM   23  N   UNL     1       2.088  -3.919   0.000  1.00  0.00           N  
HETATM   24  O   UNL     1       1.263  -3.094   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1       2.913  -3.094   0.000  1.00  0.00           O  
CONECT    1    2    6   20                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   19                                            
CONECT    7    3    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10   18                                            
CONECT   10    9   13   16                                            
CONECT   11    8   12                                                 
CONECT   12   11                                                      
CONECT   13   10   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   21                                                 
CONECT   16   10   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17    9                                                 
CONECT   19    6                                                      
CONECT   20    1                                                      
CONECT   21   15   22                                                 
CONECT   22   21   23   24   25                                       
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25   22                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D06STK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.669   2.153   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.669   1.328   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.955   0.916   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.240   1.328   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.240   2.153   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.955   2.566   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.526   0.916   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.440   0.095   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.633  -0.076   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.220   0.638   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.772   1.252   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -5.384   2.566   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1      -3.053  -0.457   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.837  -0.202   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.450  -0.754   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.279  -1.561   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.494  -1.816   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.881  -1.264   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.413   0.810   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.158   1.595   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.710   2.208   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.517   2.036   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1       0.139   0.197   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.116  -0.588   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.436  -1.201   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.243  -1.029   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.498  -0.245   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.946   0.368   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.029  -1.826   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.040  -0.816   0.000  1.00  0.00           C  
HETATM   31 CL   UNL     1      -2.096  -1.518   0.000  1.00  0.00          Cl  
HETATM   32  C   UNL     1       1.613  -2.410   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       2.623  -1.399   0.000  1.00  0.00           N  
HETATM   34  O   UNL     1       2.253  -0.019   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       3.420  -1.186   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.003  -1.769   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1       4.800  -1.556   0.000  1.00  0.00           O  
HETATM   38  O   UNL     1       3.790  -2.566   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1       5.384  -2.139   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   19                                            
CONECT   11   10    7   22                                            
CONECT   12    1                                                      
CONECT   13    8   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13   31                                            
CONECT   19   10   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   11                                                 
CONECT   23   19   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29   30                                       
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   26   32                                                 
CONECT   30   26   33   34                                            
CONECT   31   18                                                      
CONECT   32   29                                                      
CONECT   33   30   35                                                 
CONECT   34   30                                                      
CONECT   35   33   36                                                 
CONECT   36   35   37   38                                            
CONECT   37   36   39                                                 
CONECT   38   36                                                      
CONECT   39   37                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D06STX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       3.064  -0.084   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       3.064  -0.908   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       3.778  -1.321   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       4.492  -0.908   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       4.492  -0.084   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.778   0.329   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.349   0.329   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       2.349   1.154   0.000  1.00  0.00           O  
HETATM    9  N   UNL     1       1.635  -0.084   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.635  -0.908   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.349  -1.321   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.920   0.329   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.834   1.149   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1       0.027   1.321   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.386   0.607   0.000  1.00  0.00           C  
HETATM   16  S   UNL     1       0.167  -0.007   0.000  1.00  0.00           S  
HETATM   17  C   UNL     1      -1.206   0.520   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.691   1.188   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.511   1.101   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.847   0.348   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.362  -0.320   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.542  -0.233   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.667   0.262   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.003  -0.492   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.152   0.929   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.492   0.262   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8    9                                            
CONECT    8    7                                                      
CONECT    9    7   10   12                                            
CONECT   10    9   11                                                 
CONECT   11   10                                                      
CONECT   12    9   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   12                                                 
CONECT   17   15   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   20   24   25   26                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D06TAS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.959  -1.911   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.959  -2.736   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.244  -3.148   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.470  -2.736   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.470  -1.911   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.244  -1.498   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.185  -3.148   0.000  1.00  0.00           C  
HETATM    8  F   UNL     1       1.899  -3.561   0.000  1.00  0.00           F  
HETATM    9  F   UNL     1       0.772  -3.863   0.000  1.00  0.00           F  
HETATM   10  N   UNL     1      -0.244  -0.673   0.000  1.00  0.00           N  
HETATM   11  F   UNL     1       1.597  -2.434   0.000  1.00  0.00           F  
HETATM   12  C   UNL     1       0.470  -0.261   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.470   0.564   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.244   0.977   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.959   0.564   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.959  -0.261   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.185  -0.673   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.673  -0.673   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.673   0.977   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.673   1.802   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1      -2.388   0.564   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       1.185   0.977   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.982   0.763   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.431   1.455   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       1.912   2.096   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1       1.141   1.800   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       0.427   2.213   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.427   3.038   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.287   3.450   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.002   3.038   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.002   2.213   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.287   1.800   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.716   3.450   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1      -2.431   3.863   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   10                                            
CONECT    7    4    8    9   11                                       
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    6   12   16                                            
CONECT   11    7                                                      
CONECT   12   10   13   17                                            
CONECT   13   12   14   22                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   10   18                                            
CONECT   17   12                                                      
CONECT   18   16                                                      
CONECT   19   15   20   21                                            
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   13   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   22   27                                            
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   30   34                                                 
CONECT   34   33                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D06TFC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.393   1.474   0.000  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.857   0.792   0.000  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.352   0.140   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.575   0.419   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.601   1.244   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.848   0.029   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.147   0.463   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.172   1.288   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.899   1.678   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.672   2.251   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.138  -0.657   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.066  -0.273   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.780   0.140   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.495  -0.273   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.780   0.965   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.721  -1.240   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.508  -2.037   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.711  -2.251   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.127  -1.667   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.341  -0.870   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.580   0.073   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.294   0.485   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       0.593  -0.752   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       2.009   0.073   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.724   0.485   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       3.405   0.021   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.194   0.264   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.495   1.032   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.082   1.746   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.267   1.869   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.662   1.308   0.000  1.00  0.00           C  
CONECT    1    2    5   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   11   12                                       
CONECT    4    3    5    6                                            
CONECT    5    4    1    9                                            
CONECT    6    4    7                                                 
CONECT    7    6    8   21                                            
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    1                                                      
CONECT   11    3   16   20                                            
CONECT   12    3   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   11   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   11                                                 
CONECT   21    7   22   23                                            
CONECT   22   21   24                                                 
CONECT   23   21                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26   31                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   25                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D06TGF
  -OEChem-09301911132D

 26 29  0     0  0  0  0  0  0999 V2000
    2.0000   -0.8087    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.0305   -1.0106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0520    0.1565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2397   -0.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3737    0.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6367   -0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1057    0.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0418   -1.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1057    1.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3737    1.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2397    1.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6086   -0.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0520    1.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4469   -1.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6356    0.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9942   -0.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4162   -1.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4446   -1.4721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8367    1.7712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2397    2.5812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2446   -0.4329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3624    0.4864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2446    2.3552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7061   -2.5244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2556    0.9612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0541   -2.3651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2 18  1  0  0  0  0
  3  7  1  0  0  0  0
  3 15  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  2  0  0  0  0
  6 12  1  0  0  0  0
  7  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 16  2  0  0  0  0
 12 22  1  0  0  0  0
 13 15  2  0  0  0  0
 13 23  1  0  0  0  0
 14 17  2  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 17 26  1  0  0  0  0
M  END

$$$$
D06TIU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.510  -1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.510  -2.269   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.204  -2.681   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.919  -2.269   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.919  -1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.204  -1.031   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.704  -2.524   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1       2.188  -1.856   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.704  -1.189   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.224  -1.031   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.958  -0.404   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.765  -0.233   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1       1.407   0.209   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       3.020   0.552   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.827   0.724   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       4.082   1.508   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.530   2.121   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.723   1.950   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.468   1.165   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.224  -0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.939   0.206   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.653  -0.206   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.653  -1.031   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.939  -1.444   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.939   1.031   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.653   1.444   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.653   2.269   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.368   2.681   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.082   2.269   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.082   1.444   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.368   1.031   0.000  1.00  0.00           C  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   11                                            
CONECT   10    1   20   24                                            
CONECT   11    9   12   13                                            
CONECT   12   11   14                                                 
CONECT   13   11                                                      
CONECT   14   12   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   10   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   10                                                 
CONECT   25   21   26                                                 
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D06TKT
  -OEChem-09301911232D

 32 34  0     0  0  0  0  0  0999 V2000
    2.0000   -0.6565    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7870    2.9503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4978    1.7936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.4612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.0987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.6565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4798   -0.2331    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    0.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -3.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    1.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5013   -0.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7905    0.7174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4763    1.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4409    0.5602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656   -3.6044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0476   -4.0011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4443   -3.2192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.4665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3087   -1.0287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3152    2.0510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3972    0.8452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3729    3.4118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 21  1  0  0  0  0
  2 32  1  0  0  0  0
  3 21  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 14  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  0  0  0  0
  5 23  1  0  0  0  0
  6 10  2  0  0  0  0
  7 18  2  0  0  0  0
  7 20  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 15  2  0  0  0  0
 11 22  1  0  0  0  0
 12 16  2  0  0  0  0
 12 24  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 16  1  0  0  0  0
 16 28  1  0  0  0  0
 17 19  1  0  0  0  0
 17 21  1  0  0  0  0
 18 29  1  0  0  0  0
 19 20  2  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
M  END

$$$$
D06TPB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.572   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.714   0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.714  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.000  -0.825   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.714  -0.412   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.714   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.000   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.429  -0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.143  -0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.858  -0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.858  -1.650   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.572  -2.062   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.287  -1.650   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.287  -0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.572  -0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.071   1.905   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.556   1.238   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.071   0.570   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -5.326   2.690   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.572  -0.412   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.143  -0.412   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1       2.143   0.412   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       3.572   0.412   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.071  -1.905   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       5.556  -1.238   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       5.071  -0.570   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       5.326  -2.690   0.000  1.00  0.00           O  
CONECT    1    2    6   23                                            
CONECT    2    1    3   25                                            
CONECT    3    2    4   27                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   28                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16                                                 
CONECT   16   15   17   29                                            
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   31                                            
CONECT   21   20   22   33                                            
CONECT   22   21   17   30                                            
CONECT   23    1   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24    2                                                 
CONECT   26   23                                                      
CONECT   27    3                                                      
CONECT   28    7                                                      
CONECT   29   16                                                      
CONECT   30   22                                                      
CONECT   31   20   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   21                                                 
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D06TXN
  -OEChem-09301911272D

 45 46  0     1  0  0  0  0  0999 V2000
    8.5458    1.7520    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.5243    1.9582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3396    2.7305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2531    2.8282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7520    0.7735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    2.2901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.5230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    0.3890    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.6783   -1.7182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.3277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -0.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    0.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0230    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2619   -2.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    2.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5637    3.7787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8959    4.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880   -1.1812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5812   -0.6488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684   -0.1481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751   -0.6804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2772   -0.0244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8704    0.5079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5467    2.1654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9534    1.6331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0633    1.4253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2277    0.6454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7977   -3.6395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -2.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.7130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7169    2.5475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8010    3.1446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1107    3.4866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9463    4.2666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3574    4.9370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4818    4.9844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4344    4.1089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  5  2  0  0  0  0
  1 16  1  0  0  0  0
  2 39  1  0  0  0  0
  3 40  1  0  0  0  0
  4 21  1  0  0  0  0
  4 24  1  0  0  0  0
  6 21  2  0  0  0  0
  7 22  2  0  0  0  0
  8 13  1  0  0  0  0
  8 15  1  0  0  0  0
  8 17  1  0  0  0  0
  9 14  1  0  0  0  0
  9 18  1  0  0  0  0
  9 20  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  2  0  0  0  0
 11 18  2  0  0  0  0
 11 23  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  2  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 21  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 19 22  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
M  END

$$$$
D06TXR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.643  -0.937   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.818  -0.937   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.405  -0.223   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.818   0.492   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.643   0.492   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.055  -0.223   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.580  -0.223   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.168  -0.937   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.343  -0.937   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.930  -0.223   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.343   0.492   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.168   0.492   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.580   1.206   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1      -2.580  -1.651   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1      -0.105  -0.223   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.930   1.206   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.105   1.206   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -5.055   1.206   0.000  1.00  0.00          Cl  
HETATM   19  C   UNL     1       0.307   0.492   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.132   0.492   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.545   1.206   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.132   1.921   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.307   1.921   0.000  1.00  0.00           C  
HETATM   24 CL   UNL     1       2.370   1.206   0.000  1.00  0.00          Cl  
HETATM   25  C   UNL     1       1.545  -0.223   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       2.342  -0.436   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.637  -1.206   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.461  -1.163   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.675  -0.366   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.983   0.083   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.045  -1.746   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.842  -1.533   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       5.055  -0.736   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.472  -0.153   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1       2.983   0.908   0.000  1.00  0.00           O  
HETATM   36  O   UNL     1       2.225  -1.921   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   18                                            
CONECT    6    5    1                                                 
CONECT    7    3    8   12                                            
CONECT    8    7    9   14                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12   16                                            
CONECT   12   11    7   13                                            
CONECT   13   12                                                      
CONECT   14    8                                                      
CONECT   15   10                                                      
CONECT   16   11   17                                                 
CONECT   17   16   19   23                                            
CONECT   18    5                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   17                                                 
CONECT   24   21                                                      
CONECT   25   20   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   28   36                                            
CONECT   28   27   29   31                                            
CONECT   29   28   30   34                                            
CONECT   30   29   26   35                                            
CONECT   31   28   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   30                                                      
CONECT   36   27                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D06UKM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.730  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.730  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.016  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.301  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.301  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.016   0.206   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -4.016   1.031   0.000  1.00  0.00          Cl  
HETATM    8 CL   UNL     1      -5.445   0.206   0.000  1.00  0.00          Cl  
HETATM    9  N   UNL     1      -2.587   0.206   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.872  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.158   0.206   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.443  -0.206   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1      -1.158   1.031   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.872  -1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.271   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.986  -0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.700   0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.700   1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.986   1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.271   1.031   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.485  -0.049   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.970   0.619   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       2.485   1.286   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       3.795   0.619   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.207  -0.096   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       5.032  -0.096   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       5.445   0.619   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       5.032   1.333   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.207   1.333   0.000  1.00  0.00           C  
CONECT    1    2    6    8                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    1                                                      
CONECT    9    5   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12   13                                            
CONECT   12   11   15                                                 
CONECT   13   11                                                      
CONECT   14   10                                                      
CONECT   15   12   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   17   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   18                                                 
CONECT   24   22   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D06VJM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.665   0.282   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.455  -0.515   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.368  -0.563   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.668   0.206   0.000  1.00  0.00           C  
HETATM    5  S   UNL     1       0.029   0.728   0.000  1.00  0.00           S  
HETATM    6  C   UNL     1       0.783  -1.276   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.599  -1.397   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.202  -0.834   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.138  -0.012   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.455   0.451   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.433   0.582   0.000  1.00  0.00           C  
HETATM   12  F   UNL     1      -1.558   1.397   0.000  1.00  0.00           F  
HETATM   13  F   UNL     1      -2.202   0.881   0.000  1.00  0.00           F  
HETATM   14  F   UNL     1      -2.077   0.066   0.000  1.00  0.00           F  
HETATM   15 BR   UNL     1      -1.038  -1.099   0.000  1.00  0.00          Br  
CONECT    1    2    5   11                                            
CONECT    2    1    3   15                                            
CONECT    3    2    4    6                                            
CONECT    4    3    5   10                                            
CONECT    5    4    1                                                 
CONECT    6    3    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    1   12   13   14                                       
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14   11                                                      
CONECT   15    2                                                      
MASTER        0    0    0    0    0    0    0    0   15    0   15    0
END
M  END

$$$$
D06VYB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.794  -1.442   0.000  1.00  0.00           C  
HETATM    2  O   UNL     1      -1.969  -1.442   0.000  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.557  -0.727   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.732  -0.727   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.319  -0.013   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.732   0.702   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.557   0.702   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.969  -0.013   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.794  -0.013   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.319   1.416   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.732   2.131   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.506   1.416   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.991   0.749   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.775   1.004   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.775   1.829   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.991   2.084   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.490   0.591   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       3.204   1.004   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       3.204   1.829   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.490   2.241   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       0.736   2.868   0.000  1.00  0.00           O  
HETATM   22  N   UNL     1       2.490  -0.234   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.204  -0.646   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       3.204  -1.471   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       3.919  -0.234   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.207  -2.156   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -3.919  -1.745   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -3.618  -2.868   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -2.495  -2.567   0.000  1.00  0.00           F  
CONECT    1   26    2                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7   10                                            
CONECT    7    6    8                                                 
CONECT    8    7    3    9                                            
CONECT    9    8                                                      
CONECT   10    6   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16   20                                            
CONECT   16   15   12   21                                            
CONECT   17   14   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   16                                                      
CONECT   22   17   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   27   28   29    1                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D06VYF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.617   0.619   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.097   0.206   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.812   0.619   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       1.526   0.206   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.241   0.619   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       0.812   1.444   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1       2.955   0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.670   0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.670   1.444   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.955   1.856   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.241   1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.955  -0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.670  -1.031   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       4.384  -0.619   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       4.384   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.670  -1.856   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.703   1.439   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.510   1.611   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.923   0.896   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.371   0.283   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.743   0.810   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.228   1.478   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.049   1.391   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.384   0.638   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.899  -0.030   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.079   0.056   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -4.235  -0.783   0.000  1.00  0.00           F  
HETATM   28  H   UNL     1      -2.594  -0.611   0.000  1.00  0.00           H  
HETATM   29  F   UNL     1       1.526   1.856   0.000  1.00  0.00           F  
CONECT    1    2   17   20                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4    7   11                                            
CONECT    6    3                                                      
CONECT    7    5    8   12                                            
CONECT    8    7    9   15                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    5   29                                            
CONECT   12    7   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14    8                                                 
CONECT   16   13                                                      
CONECT   17    1   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19    1                                                 
CONECT   21   19   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   21   28                                            
CONECT   27   25                                                      
CONECT   28   26                                                      
CONECT   29   11                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D06VZX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.799  -1.774   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.799  -2.599   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.085  -3.011   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.370  -2.599   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.370  -1.774   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.085  -1.361   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.586  -2.854   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.101  -2.186   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.586  -1.519   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.720  -2.100   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.055  -1.346   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.570  -0.679   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.250  -0.765   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.742   0.128   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.028   0.541   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.586  -0.011   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.393   0.160   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       1.496   0.464   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.059   1.361   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.656   1.774   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.370   1.361   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.085   1.774   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.085   2.599   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.370   3.011   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.656   2.599   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.799   3.011   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.333  -2.652   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.047  -2.239   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.876  -1.433   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.085  -0.536   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -2.799  -0.124   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   30                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5   13                                            
CONECT   10    8   11   27                                            
CONECT   11   10   12   29                                            
CONECT   12   11   13   14                                            
CONECT   13   12    9   16                                            
CONECT   14   12   15   18                                            
CONECT   15   14   16   19                                            
CONECT   16   15   13   17                                            
CONECT   17   16                                                      
CONECT   18   14                                                      
CONECT   19   15   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23                                                      
CONECT   27   10   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   11                                                 
CONECT   30    6   31                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D06WAW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.530   1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.530   0.412   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.815   0.000   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.101   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.101   1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.815   1.650   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.387   0.000   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.672   0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.672   1.238   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.387   1.650   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.043   1.650   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.387   2.475   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.387  -0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.101  -1.238   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.101  -2.062   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.387  -2.475   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.672  -2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.672  -1.238   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.244   0.000   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.757   1.238   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.469   1.649   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.183   1.236   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.469   2.474   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       2.183   0.411   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.898  -0.001   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.612   0.411   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.612   1.236   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.898   1.649   0.000  1.00  0.00           C  
HETATM   29  S   UNL     1       4.327  -0.001   0.000  1.00  0.00           S  
HETATM   30  F   UNL     1      -4.244  -0.825   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -4.959  -0.412   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -5.041   0.213   0.000  1.00  0.00           F  
HETATM   33  C   UNL     1      -0.089  -0.171   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1      -0.302  -0.968   0.000  1.00  0.00           O  
HETATM   35  O   UNL     1       0.708   0.043   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1       0.281  -1.551   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1       4.739   0.713   0.000  1.00  0.00           O  
HETATM   38  O   UNL     1       5.041  -0.414   0.000  1.00  0.00           O  
HETATM   39  N   UNL     1       3.914  -0.716   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   19                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   13                                            
CONECT    8    7    9   33                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5   12                                            
CONECT   11    9   20                                                 
CONECT   12   10                                                      
CONECT   13    7   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19    2   30   31   32                                       
CONECT   20   11   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   24   28                                            
CONECT   23   21                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   22                                                 
CONECT   29   26   37   38   39                                       
CONECT   30   19                                                      
CONECT   31   19                                                      
CONECT   32   19                                                      
CONECT   33    8   34   35                                            
CONECT   34   33   36                                                 
CONECT   35   33                                                      
CONECT   36   34                                                      
CONECT   37   29                                                      
CONECT   38   29                                                      
CONECT   39   29                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D06WEY
  -OEChem-09301911272D

 62 66  0     1  0  0  0  0  0999 V2000
    4.7320    0.2172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6888   -2.4899    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    1.0832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320   -0.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1809   -2.5246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6888   -0.4899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    0.7172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9510   -0.4657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.0832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4300    0.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7229   -0.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5549   -0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1809   -0.4552    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0869   -0.9691    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2869   -0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4209   -0.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1693    0.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2869   -1.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0869   -2.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5549   -1.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4209   -2.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2976    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8190   -0.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4374    0.5247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2860    2.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5656    1.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4142    2.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5540    2.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8395   -0.3817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750    1.4818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250    1.4818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174    0.4293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8923   -0.3934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4675   -0.7577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2646   -0.7577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9722   -0.1602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0289    0.6365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2696    1.0749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1241   -0.9092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8834   -1.3476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    1.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7148   -0.1401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0833   -0.3491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4209    0.1301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7811    0.4441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3746    1.1297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2960   -2.5944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6978   -1.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4209   -3.1099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9486    0.1543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5110   -1.5005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3571   -1.2703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1269   -0.4243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4445   -0.0953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8193    2.3508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0323    0.6984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4071    3.1445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0136    2.3183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  2 24  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 13  1  0  0  0  0
  7 45  1  0  0  0  0
 18  8  1  6  0  0  0
  8 27  1  0  0  0  0
  8 54  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 20  1  0  0  0  0
 16 24  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 21  1  6  0  0  0
 17 46  1  0  0  0  0
 18 23  1  0  0  0  0
 18 47  1  0  0  0  0
 19 20  2  0  0  0  0
 19 22  1  0  0  0  0
 20 48  1  0  0  0  0
 21 26  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 22 25  2  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
 24 25  1  0  0  0  0
 25 53  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 27 55  1  0  0  0  0
 27 56  1  0  0  0  0
 27 57  1  0  0  0  0
 28 30  1  0  0  0  0
 28 58  1  0  0  0  0
 29 31  2  0  0  0  0
 29 59  1  0  0  0  0
 30 32  2  0  0  0  0
 30 60  1  0  0  0  0
 31 32  1  0  0  0  0
 31 61  1  0  0  0  0
 32 62  1  0  0  0  0
M  END

$$$$
D06WGO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.357   0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.072   0.412   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.501  -0.825   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1       0.357  -0.825   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.072  -0.412   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.786  -0.825   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.501  -0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.501   0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.786   0.825   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7   11   15                                            
CONECT    9    2                                                      
CONECT   10    4                                                      
CONECT   11    8   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    8                                                 
MASTER        0    0    0    0    0    0    0    0   15    0   15    0
END
M  END

$$$$
D06WJK
  -OEChem-09301911222D

 64 66  0     0  0  0  0  0  0999 V2000
    5.4641   -0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -1.4453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5870   -0.4947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -3.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5655   -0.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9192    0.2496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5870   -4.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7796   -4.5946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 23 50  1  0  0  0  0
 25 29  2  0  0  0  0
 25 51  1  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
 28 55  1  0  0  0  0
 28 56  1  0  0  0  0
 28 57  1  0  0  0  0
 29 30  1  0  0  0  0
 29 58  1  0  0  0  0
 30 59  1  0  0  0  0
 31 32  1  0  0  0  0
 31 60  1  0  0  0  0
 31 61  1  0  0  0  0
 32 62  1  0  0  0  0
 32 63  1  0  0  0  0
 32 64  1  0  0  0  0
M  END

$$$$
D06WUT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.662   1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.662   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.947   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.233   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.233   1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.947   1.650   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.518   0.000   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.804   0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.804   1.238   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.518   1.650   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.518  -0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.233  -1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.233  -2.062   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.518  -2.475   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.804  -2.062   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.804  -1.238   0.000  1.00  0.00           C  
HETATM   17  H   UNL     1      -0.090  -0.825   0.000  1.00  0.00           H  
HETATM   18  C   UNL     1      -0.090   1.650   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.625   1.238   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1      -0.090   2.475   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       1.187   1.087   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.662   1.087   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.249   1.801   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.425   1.801   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.012   1.087   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.425   0.372   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.249   0.372   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       0.774   0.372   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.091   0.000   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.625   0.412   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   29                                            
CONECT    9    8   10   18                                            
CONECT   10    9    5                                                 
CONECT   11    7   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11   17                                            
CONECT   17   16                                                      
CONECT   18    9   19   20                                            
CONECT   19   18   21   30                                            
CONECT   20   18                                                      
CONECT   21   19   25   28                                            
CONECT   22   27   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   21                                            
CONECT   26   25   27                                                 
CONECT   27   22   26                                                 
CONECT   28   21                                                      
CONECT   29    8                                                      
CONECT   30   19                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D06WXJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.061   1.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.061   1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.776   0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.490   1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.490   1.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.776   2.269   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.776   3.094   0.000  1.00  0.00           N  
HETATM    8  F   UNL     1       3.204   0.619   0.000  1.00  0.00           F  
HETATM    9  N   UNL     1       1.776  -0.206   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1       0.346   0.619   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.368   1.031   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.368   1.856   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.082   0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.836   0.954   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1      -2.388   0.341   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1      -1.976  -0.373   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.169  -0.202   0.000  1.00  0.00           N  
HETATM   18  N   UNL     1      -2.311  -1.127   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1      -3.118  -1.298   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.204  -2.119   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.451  -2.454   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.899  -1.841   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.061  -0.619   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.061  -1.444   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.776  -1.856   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.490  -1.444   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.490  -0.619   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       1.061  -2.269   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       2.490  -2.269   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       3.204  -1.856   0.000  1.00  0.00           N  
HETATM   31  O   UNL     1       2.490  -3.094   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       0.346  -1.856   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    4                                                      
CONECT    9    3   23   27                                            
CONECT   10    2   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   13                                                 
CONECT   18   16   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   18                                                 
CONECT   23    9   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28   29                                       
CONECT   26   25   27                                                 
CONECT   27   26    9                                                 
CONECT   28   25   32                                                 
CONECT   29   25   30   31                                            
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   28                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END

$$$$

$$$$

$$$$
D06XCD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.913  -1.460   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.199  -1.047   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.484  -1.460   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.770  -1.047   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.055  -1.460   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       0.659  -1.047   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       1.374  -1.460   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.088  -1.047   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.803  -1.460   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       3.517  -1.047   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.628  -1.047   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.342  -1.460   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.342  -2.285   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.628  -2.697   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.913  -2.285   0.000  1.00  0.00           C  
HETATM   16  F   UNL     1      -5.057  -2.697   0.000  1.00  0.00           F  
HETATM   17  C   UNL     1      -0.770  -0.222   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       2.088  -0.222   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.055  -2.285   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       1.374  -2.285   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.088  -2.697   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       2.803  -2.285   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       4.232  -1.460   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.644  -2.174   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.057  -1.460   0.000  1.00  0.00           C  
HETATM   26  S   UNL     1      -0.357   0.492   0.000  1.00  0.00           S  
HETATM   27  O   UNL     1       0.357   0.905   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1       0.357   0.080   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.357   1.317   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.226   1.901   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.023   2.114   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.440   2.697   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.200  -0.222   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1      -3.618  -0.222   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -2.200   1.196   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1      -0.782  -0.222   0.000  1.00  0.00           F  
CONECT    1    2   11   15                                            
CONECT    2    1    3   33                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   17                                            
CONECT    5    4    6   19                                            
CONECT    6    5    7                                                 
CONECT    7    6    8   20                                            
CONECT    8    7    9   18                                            
CONECT    9    8   10   22                                            
CONECT   10    9   23                                                 
CONECT   11    1   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14    1                                                 
CONECT   16   13                                                      
CONECT   17    4   26                                                 
CONECT   18    8                                                      
CONECT   19    5                                                      
CONECT   20    7   21                                                 
CONECT   21   20                                                      
CONECT   22    9                                                      
CONECT   23   10   24   25                                            
CONECT   24   23   25                                                 
CONECT   25   24   23                                                 
CONECT   26   17   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30   32                                                 
CONECT   32   31   30                                                 
CONECT   33   34   35   36    2                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D06XJG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.306   1.285   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.306   0.460   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.591   0.048   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.123   0.460   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.123   1.285   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.591   1.698   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.020   1.698   0.000  1.00  0.00           O  
HETATM    8  N   UNL     1      -2.020   0.048   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.838   0.048   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.924  -0.773   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.731  -0.944   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.144  -0.230   0.000  1.00  0.00           C  
HETATM   13  S   UNL     1       1.591   0.383   0.000  1.00  0.00           S  
HETATM   14  C   UNL     1       2.067  -1.698   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.964  -0.143   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       3.449  -0.811   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1       3.300   0.610   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.774   0.383   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.326  -0.230   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1      -2.913  -0.944   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1      -2.106  -0.773   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.735   1.285   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.449   1.698   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.318   0.702   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1   22                                                 
CONECT    8    2   18   21                                            
CONECT    9    4   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13   15                                            
CONECT   13   12    9                                                 
CONECT   14   11                                                      
CONECT   15   12   16   17                                            
CONECT   16   15                                                      
CONECT   17   15                                                      
CONECT   18    8   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20    8                                                 
CONECT   22    7   23   24                                            
CONECT   23   22                                                      
CONECT   24   22                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D06XTA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.321   0.598   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.607   1.010   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.892   0.598   0.000  1.00  0.00           N  
HETATM    4  N   UNL     1      -0.178   1.010   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.537   0.598   0.000  1.00  0.00           C  
HETATM    6  S   UNL     1       1.251   1.010   0.000  1.00  0.00           S  
HETATM    7  C   UNL     1       1.966   0.598   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.680   1.010   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       3.395   0.598   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       4.109   1.010   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.321  -0.227   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.733  -0.942   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.554  -1.028   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.725  -1.835   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.011  -2.248   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.398  -1.696   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.167  -0.476   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.952  -0.731   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.123  -1.538   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.510  -2.090   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.607   1.835   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       0.537  -0.227   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       2.680   1.835   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       4.824   0.598   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.538   1.010   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       5.538   1.835   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.824   2.248   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.109   1.835   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.895  -0.021   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.181   0.391   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -3.037   0.598   0.000  1.00  0.00           N  
HETATM   32  O   UNL     1      -4.466   0.598   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -5.181   1.010   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.768   1.725   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.593   0.296   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.895   1.423   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.752   1.010   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1      -3.752   1.835   0.000  1.00  0.00           O  
CONECT    1    2   11   31                                            
CONECT    2    1    3   21                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   22                                            
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   23                                            
CONECT    9    8   10                                                 
CONECT   10    9   24   28                                            
CONECT   11    1   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14   17                                            
CONECT   14   13   15   20                                            
CONECT   15   14   16                                                 
CONECT   16   15   12                                                 
CONECT   17   13   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   14                                                 
CONECT   21    2                                                      
CONECT   22    5                                                      
CONECT   23    8                                                      
CONECT   24   10   25   30                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   10                                                 
CONECT   29   30                                                      
CONECT   30   24   29                                                 
CONECT   31    1   37                                                 
CONECT   32   33   37                                                 
CONECT   33   32   34   35   36                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
CONECT   37   31   38   32                                            
CONECT   38   37                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D06XWC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.000  -1.444   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.715  -1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.715  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.000   0.206   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       1.429   0.206   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       1.429   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.715   1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.000   1.031   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       2.143   1.444   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   12                                                      
MASTER        0    0    0    0    0    0    0    0   15    0   15    0
END

$$$$

$$$$
D06XWQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.858  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.858   0.619   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.429  -1.031   0.000  1.00  0.00           N  
HETATM    8  S   UNL     1      -0.715  -0.619   0.000  1.00  0.00           S  
HETATM    9  C   UNL     1      -0.715   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.429   0.619   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.429   1.444   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       0.082  -0.405   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.501  -1.416   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.429  -1.856   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.000   0.619   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.715   0.206   0.000  1.00  0.00           N  
HETATM   17  S   UNL     1       0.000   1.444   0.000  1.00  0.00           S  
HETATM   18  C   UNL     1       1.429   0.619   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.143   0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.858   0.619   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.858   1.444   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.143   1.856   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.429   1.444   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.143  -0.619   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.858  -1.031   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.572  -0.619   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.572   0.206   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   14                                            
CONECT    8    7    9   12   13                                       
CONECT    9    8   10   15                                            
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    8                                                      
CONECT   13    8                                                      
CONECT   14    7                                                      
CONECT   15    9   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   19   23                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21   27                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   19   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   20                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D06XXJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930  -0.619   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.215  -1.031   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.501  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.786  -1.031   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.072  -0.619   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.357  -1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.357  -0.619   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.215   1.444   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.930   1.856   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -2.501   1.856   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1       1.072  -1.031   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.786  -0.619   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.357   0.206   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       2.501  -1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.215  -0.619   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.930  -1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.072  -1.856   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   14   16                                            
CONECT   11    6   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14   10   15   20                                            
CONECT   15   14   17                                                 
CONECT   16   10                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18                                                      
CONECT   20   14                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D06YAB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.443  -0.559   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.443  -1.384   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.271  -1.796   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.986  -1.384   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.986  -0.559   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.271  -0.146   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.770  -1.639   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.255  -0.971   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.770  -0.304   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       3.080  -0.971   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.025   0.481   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       0.271   0.679   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -1.158  -1.796   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.158  -0.146   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.271  -2.621   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.872  -0.559   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.587  -0.146   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.301  -0.559   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.301  -1.384   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.587  -1.796   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.872  -1.384   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.016  -0.146   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.730  -0.559   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.730  -1.384   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.016  -1.796   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.607   1.192   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.195   1.907   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.782   2.621   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.493  -1.686   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.318  -1.686   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.730  -0.971   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.318  -0.257   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.493  -0.257   0.000  1.00  0.00           C  
CONECT    1    2    6   14                                            
CONECT    2    1    3   13                                            
CONECT    3    2    4   15                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   12                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5   11                                            
CONECT   10    8   29   33                                            
CONECT   11    9   26                                                 
CONECT   12    6                                                      
CONECT   13    2                                                      
CONECT   14    1   16                                                 
CONECT   15    3                                                      
CONECT   16   14   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20   25                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   18   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   19                                                 
CONECT   26   11   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27                                                      
CONECT   29   10   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   10                                                 
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D06YBF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.643  -0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.643   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.929   0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.214   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.214  -0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.929  -0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.500   0.825   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.785   0.412   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.071   0.825   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.071   1.650   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1      -0.356   0.412   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -5.357  -0.825   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -5.357  -1.650   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.356  -0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.358  -0.825   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.073  -0.412   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.073   0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.358   0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.787  -0.825   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       1.787  -1.650   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.502  -0.412   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.216  -0.825   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.931  -0.412   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.645  -0.825   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       3.931   0.412   0.000  1.00  0.00           O  
HETATM   26 BR   UNL     1       5.360  -0.412   0.000  1.00  0.00          Br  
HETATM   27  O   UNL     1      -5.360  -0.412   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.645  -0.825   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   14   18                                            
CONECT   12    1   13   27                                            
CONECT   13   12                                                      
CONECT   14   11   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   11                                                 
CONECT   19   16   20   21                                            
CONECT   20   19                                                      
CONECT   21   19   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   26                                                 
CONECT   25   23                                                      
CONECT   26   24                                                      
CONECT   27   12   28                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D06YCW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072  -0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.501  -2.062   0.000  1.00  0.00           C  
HETATM    8  S   UNL     1       0.357  -0.412   0.000  1.00  0.00           S  
HETATM    9  C   UNL     1       1.072  -0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.072  -1.650   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.786  -2.062   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.501  -1.650   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.501  -0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.786  -0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.786   0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.501   0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.501   1.650   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.786   2.062   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.072   1.650   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.072   0.825   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9   15                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D06YEK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.357   1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.357   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.357   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.072   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.072   1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.357   1.650   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       0.357   2.475   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.072   0.000   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.786   0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.501   0.000   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.786   0.000   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.786  -0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.501  -1.238   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.501  -2.062   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.215  -2.475   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.930  -2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.930  -1.238   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.215  -0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.215   0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.930   0.000   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.930  -0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.215  -1.237   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.501  -0.825   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.644  -1.238   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1       4.644  -2.475   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   11                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    2    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   19   23                                            
CONECT   11    4   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   25                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   10   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   10                                                 
CONECT   24   21                                                      
CONECT   25   16                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D06YKN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215   0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.501  -0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.786  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.786   0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.501   1.031   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.930  -0.619   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.357   0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.357   1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.072   0.619   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.072   1.031   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.072  -0.619   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       1.072  -0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.786  -0.619   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.501  -0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.501   0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.786   1.031   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       3.215   1.031   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       1.786  -1.444   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1      -1.072   1.856   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.501  -1.856   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.930   0.619   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   12                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    9   11                                                 
CONECT    9    8   10                                                 
CONECT   10    9   13   17                                            
CONECT   11    5    8   20                                            
CONECT   12    4                                                      
CONECT   13   10   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   10                                                 
CONECT   18   16   22                                                 
CONECT   19   14   21                                                 
CONECT   20   11                                                      
CONECT   21   19                                                      
CONECT   22   18                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D06YON
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.290  -0.364   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.425   0.048   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.139  -0.364   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.853   0.048   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.004   0.048   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       0.425   0.873   0.000  1.00  0.00           O  
HETATM    7  N   UNL     1       2.607  -0.287   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1       3.159   0.326   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.747   1.040   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.940   0.869   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.833   1.861   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       1.527   1.583   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.779  -1.094   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.091   0.869   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.898   1.040   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.310   0.326   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.758  -0.287   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.930  -1.094   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.714  -1.349   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.886  -2.156   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.273  -2.708   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.488  -2.453   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.317  -1.646   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.166  -1.646   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.337  -2.453   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.122  -2.708   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.735  -2.156   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.563  -1.349   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.306   1.865   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.020   2.278   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.020   3.103   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.735   3.515   0.000  1.00  0.00           C  
HETATM   33 CL   UNL     1      -0.875  -3.005   0.000  1.00  0.00          Cl  
HETATM   34  F   UNL     1      -2.444  -3.515   0.000  1.00  0.00           F  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    7   10                                            
CONECT    5    1   14   17                                            
CONECT    6    2                                                      
CONECT    7    4    8   13                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    4   12                                            
CONECT   11    9                                                      
CONECT   12   10                                                      
CONECT   13    7   24   28                                            
CONECT   14    5   15                                                 
CONECT   15   14   16   29                                            
CONECT   16   15   17                                                 
CONECT   17   16    5   18                                            
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   34                                            
CONECT   22   21   23   33                                            
CONECT   23   22   18                                                 
CONECT   24   13   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   13                                                 
CONECT   29   15   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31                                                      
CONECT   33   22                                                      
CONECT   34   21                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D06ZAE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.795   1.103   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.795   0.278   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.081  -0.135   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.634   0.278   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.634   1.103   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.081   1.515   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.580   1.357   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.065   0.690   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -1.580   0.023   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.793  -0.774   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.590  -0.988   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.174  -0.404   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.970  -0.618   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.184  -1.415   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.600  -1.998   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.804  -1.785   0.000  1.00  0.00           C  
HETATM   17 CL   UNL     1      -4.981  -1.628   0.000  1.00  0.00          Cl  
HETATM   18  F   UNL     1      -2.220  -2.368   0.000  1.00  0.00           F  
HETATM   19  C   UNL     1       1.348  -0.135   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.063   0.278   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       1.348  -0.960   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       2.807  -0.114   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.839  -0.939   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.569  -1.323   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.267  -0.883   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.235  -0.059   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.505   0.326   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.794   2.155   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1      -0.997   2.368   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -1.580   1.358   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -2.591   1.941   0.000  1.00  0.00           F  
HETATM   32  C   UNL     1       4.981  -1.708   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       4.981  -0.883   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1       4.266  -2.120   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   19                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8   28                                            
CONECT    8    7    9                                                 
CONECT    9    8    2   10                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   11   18                                            
CONECT   17   14                                                      
CONECT   18   16                                                      
CONECT   19    4   20   21                                            
CONECT   20   19   22                                                 
CONECT   21   19                                                      
CONECT   22   20   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   32                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28    7   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
CONECT   32   25   33   34                                            
CONECT   33   32                                                      
CONECT   34   32                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D06ZEI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.721   0.354   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.507  -0.442   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.710  -0.656   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.127  -0.073   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.341   0.724   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.137   0.938   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.336  -1.391   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.521  -1.262   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.392  -0.447   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.938  -1.845   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.657  -0.073   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.965  -0.522   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.230  -0.147   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.462  -0.597   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.197  -0.222   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.419  -1.421   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.889  -0.672   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.624  -0.297   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.667   0.527   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.975   0.976   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.240   0.602   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.402   0.901   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       4.137   0.527   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1       4.721   1.110   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1       4.346   1.845   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1       3.531   1.716   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    4   11                                            
CONECT   10    8                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   17   21                                            
CONECT   16   14                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   15                                                 
CONECT   22   19   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   22                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D06ZNU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  O   UNL     1      -0.206   3.071   0.000  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.439   2.279   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.241   2.086   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.474   1.294   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.905   0.697   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.103   0.890   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.130   1.682   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.197  -0.055   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.998  -0.351   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.996  -1.155   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.176  -1.416   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.635  -0.749   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.662  -0.082   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.253  -0.375   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.253  -1.118   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.614  -1.427   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1      -2.664   0.846   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.908  -2.283   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.508   3.483   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.223   3.071   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.937   3.483   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.937   4.308   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.223   4.721   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.508   4.308   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.468  -2.888   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.225  -3.676   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.420  -3.859   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       0.141  -3.254   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.103  -2.466   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.945  -3.436   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.608  -3.046   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.454  -3.211   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       1.159  -4.233   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1       2.670  -3.924   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.456  -4.721   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.253  -4.507   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       1.394  -2.248   0.000  1.00  0.00           C  
HETATM   38  N   UNL     1       2.191  -2.462   0.000  1.00  0.00           N  
CONECT    1    2   19                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    7                                                 
CONECT    7    6    2                                                 
CONECT    8    5    9   12                                            
CONECT    9    8   10   13                                            
CONECT   10    9   11   16                                            
CONECT   11   10   12   18                                            
CONECT   12   11    8                                                 
CONECT   13    9   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   10                                                 
CONECT   17   13                                                      
CONECT   18   11   25   29                                            
CONECT   19    1   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   18   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28   18                                                 
CONECT   30   28   31   33                                            
CONECT   31   30   32   37                                            
CONECT   32   31   34                                                 
CONECT   33   30                                                      
CONECT   34   32   35   36                                            
CONECT   35   34   36                                                 
CONECT   36   35   34                                                 
CONECT   37   31   38                                                 
CONECT   38   37                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D06ZPF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.000   0.412   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.715   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.715  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.429  -1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.143  -0.825   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       2.143   0.000   0.000  1.00  0.00           N  
HETATM    7  CA  UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.000  -1.238   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.715  -0.825   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1       0.000  -2.062   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.429   1.238   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       0.715   1.650   0.000  1.00  0.00           O  
HETATM   13  OXT UNL     1       2.143   1.650   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.715   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.715   1.650   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.429   2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.143   1.650   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.143   0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.429   0.412   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.000   2.062   0.000  1.00  0.00           N  
CONECT    1    2   14                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    2   11                                            
CONECT    8    3    9   10                                            
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11    7   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14    1   15   19                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   15                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D06ZRL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143  -0.412   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.715  -2.062   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.000  -1.650   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.000  -0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.715  -0.412   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.715   0.412   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.000   0.825   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.715   0.412   0.000  1.00  0.00           N  
HETATM   14  O   UNL     1       0.000   1.650   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.429   0.825   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.143   0.412   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       2.858   0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.858   1.650   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.143   2.062   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.429   1.650   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   15                                                 
CONECT   14   12                                                      
CONECT   15   13   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D07AJO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.314  -0.512   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.314  -1.337   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.600  -1.749   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.115  -1.337   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.115  -0.512   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.600  -0.099   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.830  -0.099   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.544  -0.512   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1       0.830   0.726   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       2.258  -0.099   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.012  -0.435   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       3.564   0.178   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       3.152   0.893   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       2.345   0.721   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.028  -0.099   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.183  -1.242   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.570  -1.794   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.742  -2.601   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.526  -2.856   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.139  -2.304   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.968  -1.497   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.115   0.721   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1      -2.922   0.893   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.334   0.178   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.782  -0.435   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.257   1.647   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.407   1.677   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.855   2.290   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.048   2.119   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.793   1.334   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.110   3.075   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       2.558   3.688   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       3.917   3.246   0.000  1.00  0.00           C  
HETATM   34  H   UNL     1       3.365   3.860   0.000  1.00  0.00           H  
HETATM   35  C   UNL     1      -2.029  -1.749   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1      -0.810  -3.860   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -4.139  -2.968   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1      -3.248   0.361   0.000  1.00  0.00           F  
CONECT    1    2    6   15                                            
CONECT    2    1    3   35                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   14                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   27                                            
CONECT   14   13   10   30                                            
CONECT   15    1   22   25                                            
CONECT   16   11   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   15   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   15                                                 
CONECT   26   23                                                      
CONECT   27   13   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   14                                                 
CONECT   31   28   32   33   34                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
CONECT   35   36   37   38    2                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END

$$$$

$$$$

$$$$
D07AVU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.419  -0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.419  -1.238   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.133  -1.650   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.848  -1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.848  -0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.133   0.000   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.562   0.000   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.277   0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.991   0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       4.706   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       5.420   0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       5.420   1.650   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       4.706   2.062   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.991   1.650   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       6.135   0.412   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       6.849   0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       7.564   0.412   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       6.849   1.650   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       7.650  -0.408   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       8.457  -0.580   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       8.869   0.135   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       8.317   0.748   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       8.489   1.555   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.296   0.000   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.010  -0.412   0.000  1.00  0.00           N  
HETATM   26  O   UNL     1      -0.296   0.825   0.000  1.00  0.00           O  
HETATM   27  S   UNL     1      -1.725   0.000   0.000  1.00  0.00           S  
HETATM   28  C   UNL     1      -2.439   0.412   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.154   0.000   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -3.154  -0.825   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.439  -1.238   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.725  -0.825   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1      -1.312   0.714   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1      -3.868  -1.238   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1      -3.868  -2.062   0.000  1.00  0.00           O  
HETATM   36  N   UNL     1      -4.582  -0.825   0.000  1.00  0.00           N  
HETATM   37  C   UNL     1      -5.297  -1.238   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.011  -0.825   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.726  -1.238   0.000  1.00  0.00           C  
HETATM   40  O   UNL     1      -7.440  -0.825   0.000  1.00  0.00           O  
HETATM   41  O   UNL     1      -6.726  -2.062   0.000  1.00  0.00           O  
HETATM   42  C   UNL     1      -8.155  -1.238   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.869  -0.825   0.000  1.00  0.00           C  
CONECT    1    2    6   24                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   19   22                                            
CONECT   18   16                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17   23                                            
CONECT   23   22                                                      
CONECT   24    1   25   26                                            
CONECT   25   24   27                                                 
CONECT   26   24                                                      
CONECT   27   25   28   32   33                                       
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   34                                            
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   27                                                      
CONECT   34   30   35   36                                            
CONECT   35   34                                                      
CONECT   36   34   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40   41                                            
CONECT   40   39   42                                                 
CONECT   41   39                                                      
CONECT   42   40   43                                                 
CONECT   43   42                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
M  END

$$$$
D07AXK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.735   0.114   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.317  -0.597   0.000  1.00  0.00           C  
HETATM    3  O   UNL     1      -5.511  -0.420   0.000  1.00  0.00           O  
HETATM    4  C   UNL     1      -5.431   0.402   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.188   0.731   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.720   0.820   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.727   1.645   0.000  1.00  0.00           O  
HETATM    8  N   UNL     1      -4.003   0.412   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.288   0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.288   1.650   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.574   2.062   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.574   2.888   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.859   1.650   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.574   0.412   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.859   0.825   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1      -2.574  -0.412   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.124   0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.410   0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.124  -0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.839  -0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.410  -0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.839  -1.650   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.410   1.650   0.000  1.00  0.00           O  
HETATM   24  N   UNL     1       0.305   0.412   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       1.019   0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.734   0.412   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       1.734  -0.412   0.000  1.00  0.00           O  
HETATM   28  N   UNL     1       2.448   0.825   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       3.163   0.412   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.163  -0.412   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.448  -0.825   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.448  -1.650   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.734  -2.062   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       1.734  -2.888   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       3.877   0.825   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1       4.592   0.412   0.000  1.00  0.00           N  
HETATM   37  O   UNL     1       3.877   1.650   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1       5.306   0.825   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       5.306   1.650   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       6.021   2.062   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       4.592   2.062   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       6.021   0.412   0.000  1.00  0.00           C  
HETATM   43  N   UNL     1       6.735   0.825   0.000  1.00  0.00           N  
HETATM   44  O   UNL     1       6.021  -0.412   0.000  1.00  0.00           O  
CONECT    1    2    5                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    1                                                 
CONECT    6    4    7    8                                            
CONECT    7    6                                                      
CONECT    8    6    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14    9   15   16                                            
CONECT   15   14   17                                                 
CONECT   16   14                                                      
CONECT   17   15   18   19                                            
CONECT   18   17   23   24                                            
CONECT   19   17   20   21                                            
CONECT   20   19   22                                                 
CONECT   21   19                                                      
CONECT   22   20                                                      
CONECT   23   18                                                      
CONECT   24   18   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26                                                      
CONECT   28   26   29                                                 
CONECT   29   28   30   35                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33                                                      
CONECT   35   29   36   37                                            
CONECT   36   35   38                                                 
CONECT   37   35                                                      
CONECT   38   36   39   42                                            
CONECT   39   38   40   41                                            
CONECT   40   39                                                      
CONECT   41   39                                                      
CONECT   42   38   43   44                                            
CONECT   43   42                                                      
CONECT   44   42                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
M  END

$$$$
D07BFP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.531   0.378   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.531  -0.447   0.000  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.817  -0.859   0.000  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.102  -0.447   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.102   0.378   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.817   0.791   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.388  -0.859   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.673  -0.447   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.673   0.378   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.388   0.791   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.041  -0.859   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.756  -0.447   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.470  -0.859   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.185  -0.447   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.899  -0.859   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.614  -0.447   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.328  -0.859   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.371  -1.574   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.454  -1.574   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.388  -1.684   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.388   1.616   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.328  -0.660   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.944  -1.161   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.988   1.598   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1      -3.809   1.684   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.144   0.930   0.000  1.00  0.00           C  
CONECT    1    2    6   26                                            
CONECT    2    1    3   22   23                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   24                                            
CONECT    7    4    8   20                                            
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    5   21                                            
CONECT   11    8   12   18   19                                       
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16                                                      
CONECT   18   11                                                      
CONECT   19   11                                                      
CONECT   20    7                                                      
CONECT   21   10                                                      
CONECT   22    2                                                      
CONECT   23    2                                                      
CONECT   24    6   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25    1                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D07BIQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -8.216   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.216   0.206   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -7.502  -0.206   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -6.787   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.787   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.502   1.444   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.073   1.444   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.359   1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.644   1.444   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.644   2.269   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.359   2.681   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.073   2.269   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.930   1.031   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.215   1.444   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1      -3.930   0.206   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.215  -0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.215  -1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.501  -1.444   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.786  -1.031   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.786  -0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.072  -1.444   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.072  -2.269   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.357  -2.681   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.357  -2.269   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.357  -1.444   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.357  -1.031   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.072  -2.681   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       1.786  -2.269   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       2.501  -2.681   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.215  -2.269   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.215  -1.444   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.501  -1.031   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.786  -1.444   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1       3.930  -1.031   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1       3.930  -0.206   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1       3.215   0.206   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1       4.644   0.206   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       5.359  -0.206   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       6.073   0.206   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       6.073   1.031   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       5.359   1.444   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       4.644   1.031   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       6.787  -0.206   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1       6.787  -1.031   0.000  1.00  0.00           C  
HETATM   46  N   UNL     1       7.502  -1.444   0.000  1.00  0.00           N  
HETATM   47  C   UNL     1       8.216  -1.031   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1       8.216  -0.206   0.000  1.00  0.00           C  
HETATM   49  C   UNL     1       7.502   0.206   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    9   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   19   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   25   29                                                 
CONECT   29   28   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   35                                            
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   32   36                                                 
CONECT   36   35   37   38                                            
CONECT   37   36                                                      
CONECT   38   36   39   43                                            
CONECT   39   38   40                                                 
CONECT   40   39   41   44                                            
CONECT   41   40   42                                                 
CONECT   42   41   43                                                 
CONECT   43   42   38                                                 
CONECT   44   40   45   49                                            
CONECT   45   44   46                                                 
CONECT   46   45   47                                                 
CONECT   47   46   48                                                 
CONECT   48   47   49                                                 
CONECT   49   48   44                                                 
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
M  END

$$$$
D07BND
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.703  -0.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.703  -1.681   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.988  -2.094   0.000  1.00  0.00           N  
HETATM    4  N   UNL     1      -1.274  -1.681   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.274  -0.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.988  -0.444   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.417  -0.444   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.417   0.381   0.000  1.00  0.00           O  
HETATM    9  N   UNL     1      -4.132  -0.856   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.489  -1.936   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.004  -1.269   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.489  -0.601   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.821  -1.269   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.306  -1.936   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       2.090  -1.681   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1       2.090  -0.856   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.306  -0.601   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.758  -2.166   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.512  -1.831   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.988   0.381   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.274   0.794   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.520   0.458   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       0.032   1.071   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.380   1.786   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.187   1.614   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.801   2.166   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.852   0.985   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.188   0.231   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.009   0.145   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.493   0.813   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.158   1.566   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       1.337   1.652   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       3.314   0.726   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       4.132   0.640   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    6   12                                            
CONECT    6    5    1   20                                            
CONECT    7    1    8    9                                            
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    4   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11    5                                                 
CONECT   13   11   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   13                                                 
CONECT   18   15   19                                                 
CONECT   19   18                                                      
CONECT   20    6   21                                                 
CONECT   21   22   25   20                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   21   26                                            
CONECT   26   25                                                      
CONECT   27   23   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   33   29   31                                            
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   34   30                                                 
CONECT   34   33                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D07BWC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.002  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.002  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.716  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.431  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.431  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.716   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.713   0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.427  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.427  -1.031   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.713  -1.444   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.142   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.856  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.856  -1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.142  -1.444   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1      -0.713   1.031   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1       0.002   1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.716   1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.431   1.444   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.145   1.031   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1      -2.857   0.206   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       2.143   0.206   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       2.857  -0.206   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   22                                            
CONECT    6    5    1                                                 
CONECT    7    1    8   15                                            
CONECT    8    7    9   11                                            
CONECT    9    8   10   14                                            
CONECT   10    9    2                                                 
CONECT   11    8   12                                                 
CONECT   12   11   13   20                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    7   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18                                                      
CONECT   20   12   21                                                 
CONECT   21   20                                                      
CONECT   22    5   23                                                 
CONECT   23   22                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D07BZW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.250   1.134   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.250   0.309   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.535  -0.103   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.179   0.309   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.179   1.134   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.535   1.547   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.964  -0.103   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.679   0.309   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.679   1.134   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.393   1.547   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.107   1.134   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.107   0.309   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.393  -0.103   0.000  1.00  0.00           C  
HETATM   14 CL   UNL     1      -3.393  -0.928   0.000  1.00  0.00          Cl  
HETATM   15 CL   UNL     1      -2.007   1.590   0.000  1.00  0.00          Cl  
HETATM   16  C   UNL     1       0.894  -0.103   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.608   0.309   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       0.894  -0.928   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.323  -0.103   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.323  -0.928   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.037  -1.341   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.752  -0.928   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.752  -0.103   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.037   0.309   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.964  -0.928   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.250  -1.341   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.535  -0.928   0.000  1.00  0.00           N  
HETATM   28  O   UNL     1      -1.250  -2.166   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1       4.466  -1.341   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       5.181  -0.928   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       5.895  -0.516   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       4.768  -0.214   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       5.593  -1.643   0.000  1.00  0.00           F  
HETATM   34  C   UNL     1      -4.466   1.753   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1      -5.181   2.166   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1      -5.895   1.753   0.000  1.00  0.00           C  
CONECT    1    2    6   15                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8   25                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   34                                            
CONECT   12   11   13                                                 
CONECT   13   12    8   14                                            
CONECT   14   13                                                      
CONECT   15    1                                                      
CONECT   16    4   17   18                                            
CONECT   17   16   19                                                 
CONECT   18   16                                                      
CONECT   19   17   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   29                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25    7   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   22   30                                                 
CONECT   30   29   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
CONECT   34   11   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D07CDS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.000   1.650   0.000  1.00  0.00           C  
HETATM    2  S   UNL     1       0.000   0.825   0.000  1.00  0.00           S  
HETATM    3  C   UNL     1       0.000   0.000   0.000  1.00  0.00           C  
HETATM    4  S   UNL     1       0.000  -0.825   0.000  1.00  0.00           S  
HETATM    5  C   UNL     1       0.000  -1.650   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.667  -2.135   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.412  -2.920   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.412  -2.920   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.667  -2.135   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1       0.667   2.135   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.412   2.920   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.412   2.920   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.667   2.135   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.382   1.722   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.382   1.722   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.382   0.897   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.096   0.485   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.811   0.897   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.811   1.722   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.096   2.135   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.096   2.135   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.811   1.722   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.811   0.897   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.096   0.485   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.382   0.897   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.382  -1.722   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.382  -1.722   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.096  -2.135   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.811  -1.722   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.811  -0.897   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.096  -0.485   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.382  -0.897   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.382  -0.897   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.096  -0.485   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.811  -0.897   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.811  -1.722   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.096  -2.135   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1      -3.525   0.485   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1      -3.525  -0.337   0.000  1.00  0.00           C  
HETATM   40  O   UNL     1       3.525   0.485   0.000  1.00  0.00           O  
HETATM   41  C   UNL     1       4.237   0.896   0.000  1.00  0.00           C  
HETATM   42  O   UNL     1      -3.525  -0.485   0.000  1.00  0.00           O  
HETATM   43  C   UNL     1      -4.237  -0.896   0.000  1.00  0.00           C  
HETATM   44  O   UNL     1       3.525  -0.485   0.000  1.00  0.00           O  
HETATM   45  C   UNL     1       3.525   0.337   0.000  1.00  0.00           C  
CONECT    1    2   10   13                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    7   27                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   26                                            
CONECT   10    1   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    1   14                                            
CONECT   14   13   21   25                                            
CONECT   15   10   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   40   17   19                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   14   22                                                 
CONECT   22   21   23                                                 
CONECT   23   38   22   24                                            
CONECT   24   23   25                                                 
CONECT   25   24   14                                                 
CONECT   26    9   28   32                                            
CONECT   27    6   33   37                                            
CONECT   28   26   29                                                 
CONECT   29   28   30                                                 
CONECT   30   44   29   31                                            
CONECT   31   30   32                                                 
CONECT   32   31   26                                                 
CONECT   33   27   34                                                 
CONECT   34   33   35                                                 
CONECT   35   42   34   36                                            
CONECT   36   35   37                                                 
CONECT   37   36   27                                                 
CONECT   38   39   23                                                 
CONECT   39   38                                                      
CONECT   40   41   18                                                 
CONECT   41   40                                                      
CONECT   42   43   35                                                 
CONECT   43   42                                                      
CONECT   44   45   30                                                 
CONECT   45   44                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
M  END

$$$$
D07CLY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.428   2.213   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.428   1.389   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.714   0.976   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.001   1.389   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.001   2.213   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.714   2.626   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.143   0.976   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.143   0.151   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.428  -0.262   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.857   1.389   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.572   0.976   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.286   1.389   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.572   0.151   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.428  -1.087   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.714  -1.499   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       0.001  -1.087   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.001  -0.262   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.714   0.151   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.715   2.626   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.430   2.213   0.000  1.00  0.00           N  
HETATM   21  O   UNL     1       0.715   3.451   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       2.144   2.626   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.859   2.213   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.715  -1.499   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.715  -2.324   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.430  -2.736   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.144  -2.324   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.144  -1.499   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.430  -1.087   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.715   0.151   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.858  -2.736   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1       2.446  -3.451   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       2.144  -2.324   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       3.271  -2.022   0.000  1.00  0.00           F  
HETATM   35  C   UNL     1       3.572   2.626   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1       3.572   3.451   0.000  1.00  0.00           O  
HETATM   37  O   UNL     1       4.286   2.213   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   19                                            
CONECT    6    5    1                                                 
CONECT    7    2    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8   14   18                                            
CONECT   10    7   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14    9   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   24                                            
CONECT   17   16   18   30                                            
CONECT   18   17    9                                                 
CONECT   19    5   20   21                                            
CONECT   20   19   22                                                 
CONECT   21   19                                                      
CONECT   22   20   23                                                 
CONECT   23   22   35                                                 
CONECT   24   16   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   17                                                      
CONECT   31   27   32   33   34                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
CONECT   35   23   36   37                                            
CONECT   36   35                                                      
CONECT   37   35                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D07CMZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.753   1.627   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.753   0.802   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.038   0.389   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.324   0.802   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.324   1.627   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.038   2.039   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -5.467   2.039   0.000  1.00  0.00           F  
HETATM    8  C   UNL     1      -2.610   0.389   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.610  -0.436   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.895  -0.848   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.181  -0.436   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.181   0.389   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.895   0.802   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.466  -0.848   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.248  -0.436   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       0.248   0.389   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.466   0.802   0.000  1.00  0.00           C  
HETATM   18  H   UNL     1      -2.610   1.214   0.000  1.00  0.00           H  
HETATM   19  H   UNL     1      -1.181  -1.261   0.000  1.00  0.00           H  
HETATM   20  C   UNL     1       0.963  -0.848   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.677  -0.436   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       0.963  -1.673   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       2.431  -0.771   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.983  -0.158   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.686  -1.556   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.493  -1.727   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.045  -1.114   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.790  -0.330   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       4.852  -1.286   0.000  1.00  0.00           N  
HETATM   30  N   UNL     1       5.187  -2.039   0.000  1.00  0.00           N  
HETATM   31  N   UNL     1       6.008  -1.953   0.000  1.00  0.00           N  
HETATM   32  N   UNL     1       6.179  -1.146   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       5.465  -0.734   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.467   0.389   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1      -6.179  -0.022   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1      -4.038  -0.436   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2   34    1    3                                            
CONECT    3   36    2    4                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    4    9   13   18                                       
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14   19                                       
CONECT   12   11   13   17                                            
CONECT   13   12    8                                                 
CONECT   14   11   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    8                                                      
CONECT   19   11                                                      
CONECT   20   15   21   22                                            
CONECT   21   20   23                                                 
CONECT   22   20                                                      
CONECT   23   21   24   25                                            
CONECT   24   23   28                                                 
CONECT   25   23   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   24                                                 
CONECT   29   27   30   33                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   29                                                 
CONECT   34   35    2                                                 
CONECT   35   34                                                      
CONECT   36    3                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D07CPL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.717  -0.647   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.717  -1.472   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.002  -1.884   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.288  -1.472   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.288  -0.647   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.002  -0.234   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.427  -0.234   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.141  -0.647   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1       0.427   0.591   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.856  -0.234   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.609  -0.570   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       3.162   0.043   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       2.749   0.758   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.942   0.586   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.431  -0.234   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.781  -1.377   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.168  -1.929   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.339  -2.736   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.124  -2.991   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.737  -2.439   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.565  -1.632   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.517   0.586   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1      -3.324   0.758   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.737   0.043   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.185  -0.570   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.660   1.512   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.004   1.542   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.452   2.155   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.645   1.984   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.390   1.199   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       0.427  -1.884   0.000  1.00  0.00           F  
HETATM   32  C   UNL     1       2.706   2.941   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       3.513   3.112   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1      -2.432  -1.884   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1      -1.723  -3.112   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1      -3.660  -2.593   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -3.141  -0.656   0.000  1.00  0.00           F  
CONECT    1    2    6   15                                            
CONECT    2    1    3   34                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   31                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   14                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   27                                            
CONECT   14   13   10   30                                            
CONECT   15    1   22   25                                            
CONECT   16   11   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   15   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   15                                                 
CONECT   26   23                                                      
CONECT   27   13   28                                                 
CONECT   28   27   29   32                                            
CONECT   29   28   30                                                 
CONECT   30   29   14                                                 
CONECT   31    4                                                      
CONECT   32   28   33                                                 
CONECT   33   32                                                      
CONECT   34   35   36   37    2                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END

$$$$

$$$$

$$$$
D07CSE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.935   0.260   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.935  -0.565   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.221  -0.978   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.493  -0.565   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.493   0.260   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.221   0.672   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.650   0.672   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.365   0.260   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.365  -0.565   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.650  -0.978   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.208   0.672   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.962   0.337   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       2.514   0.950   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1       2.101   1.664   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.294   1.493   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.334   0.864   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.853   0.222   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       4.494   0.742   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.975   1.383   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.650   1.497   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.935   1.910   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.365   1.910   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.161   1.696   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.803   2.215   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.494   1.766   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.281   0.969   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.457   0.926   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.079  -0.978   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.650  -1.803   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.365  -2.215   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -0.935  -2.215   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    1    8   20                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   28                                            
CONECT   10    9    2   29                                            
CONECT   11    5   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16   13   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   16                                                 
CONECT   20    7   21   22                                            
CONECT   21   20                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   23                                                 
CONECT   28    9                                                      
CONECT   29   10   30   31                                            
CONECT   30   29                                                      
CONECT   31   29                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D07CYB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930  -1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930  -2.269   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.215  -2.681   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.501  -2.269   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501  -1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215  -1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.786  -2.681   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.072  -2.269   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.357  -2.681   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.357  -2.269   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.215  -0.206   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.930   0.206   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -2.501   0.206   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1       1.072  -2.681   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.786  -2.269   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.501  -2.681   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       3.215  -2.269   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       3.930  -2.681   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.501   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.786   1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.786   2.269   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.501   2.681   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.215   2.269   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.215   1.444   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.501   3.506   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.215   3.919   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       0.357  -1.444   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       1.072  -3.506   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.786  -3.919   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.215  -1.444   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   14   27                                            
CONECT   11    6   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   19                                                 
CONECT   14   10   15   28                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   30                                            
CONECT   18   17                                                      
CONECT   19   13   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22   26                                                 
CONECT   26   25                                                      
CONECT   27   10                                                      
CONECT   28   14   29                                                 
CONECT   29   28                                                      
CONECT   30   17                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D07CZI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.357  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.357  -1.031   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.072  -1.444   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.786  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.072   0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.571  -1.286   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1       3.056  -0.619   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.571   0.049   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.826  -2.071   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.274  -2.684   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.633  -2.242   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.357  -1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.072   1.031   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.357   1.444   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       1.786   1.444   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.786   2.269   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.501   2.681   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.215   2.269   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       3.930   2.681   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       3.930   3.506   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.215   3.919   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.501   3.506   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.644   3.919   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.786   3.919   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.072  -1.031   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.786  -1.444   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.786  -2.269   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -1.072  -2.681   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -0.357  -2.269   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -2.501  -2.681   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1      -3.215  -2.269   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.930  -2.681   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1      -3.930  -3.506   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1      -3.215  -3.919   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.501  -3.506   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.644  -3.919   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   14                                            
CONECT    7    4    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    7   11   12                                            
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13    2   26   30                                            
CONECT   14    6   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   21   19                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18   25                                            
CONECT   24   21                                                      
CONECT   25   23                                                      
CONECT   26   13   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   13                                                 
CONECT   31   28   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   37                                            
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D07DBU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.798   1.668   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.798   0.843   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.084   0.430   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.631   0.843   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.631   1.668   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.084   2.080   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.411   0.291   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -1.076  -0.463   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.255  -0.377   0.000  1.00  0.00           C  
HETATM   10  S   UNL     1       1.416   0.588   0.000  1.00  0.00           S  
HETATM   11  C   UNL     1       1.901   1.255   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.416   1.923   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.671   2.708   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.118   3.321   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       2.478   2.879   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       2.726   1.255   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.138   0.541   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.726  -0.173   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       3.963   0.541   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.488  -1.177   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.313  -1.177   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.726  -0.463   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.551  -0.463   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.963  -1.177   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.551  -1.892   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.726  -1.892   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.313  -2.606   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.488  -2.606   0.000  1.00  0.00           O  
HETATM   29  N   UNL     1      -2.726  -3.321   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6   12                                            
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7    9   20                                            
CONECT    9    8    3                                                 
CONECT   10    4   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11    5   13                                            
CONECT   13   12   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   11   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20    8   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21   27                                            
CONECT   27   26   28   29                                            
CONECT   28   27                                                      
CONECT   29   27                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END

$$$$

$$$$

$$$$
D07DFC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287  -0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287  -1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572  -1.856   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858  -0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.572  -0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.001  -0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.716  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.716  -1.444   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.001  -1.856   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.429  -0.619   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1      -0.715  -0.206   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.000  -0.619   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.000  -1.444   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1       0.715  -0.206   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.429  -0.619   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.143  -0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.858  -0.619   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.572  -0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.572   0.619   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.858   1.031   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.143   0.619   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.287   1.031   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       4.287   1.856   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1       5.001   0.619   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       5.716   1.031   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    2                                                 
CONECT   11    5   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   21   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D07DGA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.564  -0.308   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.564  -1.133   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.849  -1.545   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.135  -1.133   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.135  -0.308   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.849   0.105   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.421  -1.545   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.421  -2.370   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.706  -2.783   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.992  -2.370   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.992  -1.545   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.706  -1.133   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1      -1.277  -1.133   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.563  -1.545   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.563  -2.370   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.152  -2.783   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.866  -2.370   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.866  -1.545   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.152  -1.133   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.581  -1.133   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.295  -1.545   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.010  -1.133   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       2.295  -2.370   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       3.724  -1.545   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.439  -1.133   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.439  -0.308   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.724   0.105   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.010  -0.308   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       3.724   0.930   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       4.392   1.415   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.137   2.199   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       3.312   2.199   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       3.057   1.415   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.720   2.783   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       5.152  -1.545   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1       4.739  -2.259   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1       4.437  -1.133   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1       5.564  -0.831   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11    7                                                 
CONECT   13   11   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   14                                                 
CONECT   20   18   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   24   28                                            
CONECT   23   21                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26   35                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   22                                                 
CONECT   29   27   30   33                                            
CONECT   30   29   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   29                                                 
CONECT   34   31                                                      
CONECT   35   25   36   37   38                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D07DGB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  O4* UNL     1      -0.528  -0.060   0.000  1.00  0.00           O  
HETATM    2  C4* UNL     1      -1.243  -0.472   0.000  1.00  0.00           C  
HETATM    3  C3* UNL     1      -1.071  -1.279   0.000  1.00  0.00           C  
HETATM    4  C2* UNL     1      -0.251  -1.365   0.000  1.00  0.00           C  
HETATM    5  C1* UNL     1       0.085  -0.612   0.000  1.00  0.00           C  
HETATM    6  C5* UNL     1      -2.040  -0.686   0.000  1.00  0.00           C  
HETATM    7  O5* UNL     1      -2.754  -0.273   0.000  1.00  0.00           O  
HETATM    8  O3* UNL     1      -1.786  -1.692   0.000  1.00  0.00           O  
HETATM    9  O2* UNL     1       0.546  -1.579   0.000  1.00  0.00           O  
HETATM   10  H2* UNL     1      -0.251  -2.191   0.000  1.00  0.00           H  
HETATM   11  N   UNL     1       0.799  -0.199   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.553  -0.535   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.105   0.078   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.692   0.793   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.885   0.621   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.947   1.577   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.395   2.191   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.588   2.019   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.333   1.234   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1       2.754   1.749   0.000  1.00  0.00           N  
HETATM   21  H3* UNL     1      -1.071  -2.104   0.000  1.00  0.00           H  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4    8   21                                       
CONECT    4    3    5    9   10                                       
CONECT    5    4    1   11                                            
CONECT    6    2    7                                                 
CONECT    7    6                                                      
CONECT    8    3                                                      
CONECT    9    4                                                      
CONECT   10    4                                                      
CONECT   11    5   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   11   19                                            
CONECT   16   14   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   15                                                 
CONECT   20   16                                                      
CONECT   21    3                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D07DJR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.438  -1.830   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.438  -2.655   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.724  -3.067   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.009  -2.655   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.009  -1.830   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.724  -1.417   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.223  -1.575   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.708  -2.242   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.223  -2.910   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       0.705  -3.067   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.420  -2.655   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.134  -3.067   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.848  -2.655   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       2.848  -1.830   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       2.134  -1.417   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.420  -1.830   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.134  -0.592   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.478  -0.790   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.285  -0.619   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1      -1.926  -0.177   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.540   0.166   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.055   0.833   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.540   1.501   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -4.324   1.246   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1      -4.324   0.421   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.992   1.731   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       2.848  -0.180   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       2.848   0.645   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.563   1.058   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.277   0.645   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.992   1.058   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.992   1.883   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.277   2.295   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.563   1.883   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.285   2.285   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1      -2.503   2.031   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -3.031   3.067   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1      -4.067   2.539   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8   18                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    4   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   11                                                 
CONECT   17   15   27                                                 
CONECT   18    7   19   20                                            
CONECT   19   18   21                                                 
CONECT   20   18                                                      
CONECT   21   19   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   35   22   24                                            
CONECT   24   23   25   26                                            
CONECT   25   24   21                                                 
CONECT   26   24                                                      
CONECT   27   17   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   36   37   38   23                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D07DUX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.694   1.763   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.965   1.377   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.266   1.815   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.295   2.639   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.024   3.025   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.723   2.587   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.393   1.325   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.158   1.633   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.687   1.000   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.249   0.301   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.449   0.502   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.404   3.077   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.133   2.691   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.146   1.866   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.428   1.459   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       0.428   0.634   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.146   0.216   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.863   0.634   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.863   1.459   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.648   0.379   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       3.133   1.046   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.648   1.714   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1      -0.287   0.223   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.287  -0.602   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.903  -0.406   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.002  -1.015   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.002  -1.840   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.287  -2.252   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.427  -1.840   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.427  -1.015   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -0.287  -3.077   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       2.418  -1.073   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.903  -1.740   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.687  -1.486   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.687  -0.661   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   12                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    7                                                 
CONECT   12    4   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   23                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   14   22                                            
CONECT   20   18   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   19                                                 
CONECT   23   16   24                                                 
CONECT   24   23   26   30                                            
CONECT   25   20   32   35                                            
CONECT   26   24   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   24                                                 
CONECT   31   28                                                      
CONECT   32   25   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   25                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D07EAV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.581   0.339   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.866  -0.074   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.152   0.339   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.437  -0.074   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.277   0.339   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.992  -0.074   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.277   1.164   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.437  -0.899   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.794   1.135   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.618   1.179   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.914   0.408   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1      -3.273  -0.111   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.273  -0.936   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.987  -1.348   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.987  -2.173   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.273  -2.586   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.558  -2.173   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.558  -1.348   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -1.844  -2.586   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1       0.992  -0.899   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.706  -1.311   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.420  -0.899   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.420  -0.074   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.706   0.339   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1       3.135   0.339   0.000  1.00  0.00           F  
HETATM   26  N   UNL     1       3.135  -1.311   0.000  1.00  0.00           N  
HETATM   27  S   UNL     1       3.960  -1.311   0.000  1.00  0.00           S  
HETATM   28  O   UNL     1       3.960  -0.486   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       4.785  -1.311   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       3.960  -2.136   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.070   1.871   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.785   1.459   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.483   2.586   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.356   2.284   0.000  1.00  0.00           C  
CONECT    1    2    9   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5   20   24                                            
CONECT    7    5                                                      
CONECT    8    4                                                      
CONECT    9    1   10                                                 
CONECT   10    9   11   31                                            
CONECT   11   10   12                                                 
CONECT   12   11    1   13                                            
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   13                                                 
CONECT   19   17                                                      
CONECT   20    6   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24   25                                            
CONECT   24   23    6                                                 
CONECT   25   23                                                      
CONECT   26   22   27                                                 
CONECT   27   26   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
CONECT   31   10   32   33   34                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D07EBW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.479  -0.273   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.479  -1.098   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.765  -1.511   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.050  -1.098   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.050  -0.273   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.765   0.139   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.336  -1.511   0.000  1.00  0.00           C  
HETATM    8 CL   UNL     1      -1.765  -2.336   0.000  1.00  0.00          Cl  
HETATM    9  N   UNL     1       0.379  -1.098   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.093  -1.511   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.808  -1.098   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.808  -0.273   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.093   0.139   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.379  -0.273   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.336   0.139   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.592  -1.353   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       3.077  -0.686   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       2.592  -0.018   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.847   0.766   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.654   0.938   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.909   1.723   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       3.357   2.336   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.550   2.164   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.295   1.379   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.336   0.964   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       1.093  -2.336   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.195  -1.511   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1      -2.782  -2.225   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -3.909  -1.923   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -3.607  -0.796   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   27                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    9                                                 
CONECT    8    3                                                      
CONECT    9    7   10   14                                            
CONECT   10    9   11   26                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13   18                                            
CONECT   13   12   14                                                 
CONECT   14   13    9   15                                            
CONECT   15   14   25                                                 
CONECT   16   11   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   12   19                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   15                                                      
CONECT   26   10                                                      
CONECT   27    2   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D07EDS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.321   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.321  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.607  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.892  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.892   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.607   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.035  -0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.178   0.825   0.000  1.00  0.00           C  
HETATM    9  H   UNL     1      -0.178   1.650   0.000  1.00  0.00           H  
HETATM   10  N   UNL     1       0.537   0.412   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.537  -0.412   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.178  -0.825   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       1.251  -0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.251   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.966   0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.680   0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.680   1.650   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.966   2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.251   1.650   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.395   0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.109   0.825   0.000  1.00  0.00           C  
HETATM   22  F   UNL     1      -1.607   1.650   0.000  1.00  0.00           F  
HETATM   23  C   UNL     1      -3.750  -0.412   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.464  -0.825   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.464  -1.650   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.750  -2.062   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.035  -1.650   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -5.179  -2.062   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.179  -2.888   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.893  -1.650   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.251  -1.650   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.966  -2.062   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.680  -1.650   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.680  -0.825   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.966  -0.412   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.378  -1.127   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1       1.966   2.888   0.000  1.00  0.00           F  
HETATM   38  C   UNL     1       4.464   0.206   0.000  1.00  0.00           C  
HETATM   39  O   UNL     1       3.750  -0.206   0.000  1.00  0.00           O  
HETATM   40  O   UNL     1       5.179  -0.206   0.000  1.00  0.00           O  
HETATM   41  C   UNL     1       5.893   0.206   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1   22                                            
CONECT    7    2   23   27                                            
CONECT    8    5    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11   14                                            
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   31   35                                            
CONECT   14   10   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   37                                            
CONECT   19   18   14                                                 
CONECT   20   16   21                                                 
CONECT   21   20   38                                                 
CONECT   22    6                                                      
CONECT   23    7   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26    7                                                 
CONECT   28   25   29   30                                            
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   13   32                                                 
CONECT   32   31   33   36                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   13   36                                            
CONECT   36   35   32                                                 
CONECT   37   18                                                      
CONECT   38   21   39   40                                            
CONECT   39   38                                                      
CONECT   40   38   41                                                 
CONECT   41   40                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D07EFT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.206  -0.357   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.206  -1.072   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.031  -1.072   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.444  -0.357   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.031   0.357   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.206   0.357   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.031  -0.357   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.856  -0.357   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.681  -0.357   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.094   0.357   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.919   0.357   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.331  -0.357   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.919  -1.072   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.094  -1.072   0.000  1.00  0.00           C  
HETATM   15  F   UNL     1      -4.331   1.072   0.000  1.00  0.00           F  
HETATM   16  C   UNL     1       2.269  -0.357   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.681  -1.072   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.681   0.357   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.506   0.357   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.919  -0.357   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.919   1.072   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.331   0.357   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.544   0.509   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.830   0.922   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   11                                                      
CONECT   16    4   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19   24                                            
CONECT   19   18   20   21   22                                       
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   19                                                      
CONECT   23   24                                                      
CONECT   24   18   23                                                 
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D07EGF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.683   1.650   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.683   0.825   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.968   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.254   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.254   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.968   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.540   0.412   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.825   0.825   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.111   0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.604   0.825   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.318   0.412   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.111  -0.412   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.604   1.650   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.318  -0.412   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       2.033  -0.825   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       2.747  -0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.747   0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.033   0.825   0.000  1.00  0.00           C  
HETATM   19  F   UNL     1       3.462   0.825   0.000  1.00  0.00           F  
HETATM   20  N   UNL     1       3.462  -0.825   0.000  1.00  0.00           N  
HETATM   21  S   UNL     1       4.287  -0.825   0.000  1.00  0.00           S  
HETATM   22  C   UNL     1       5.112  -0.825   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       4.287   0.000   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       4.287  -1.650   0.000  1.00  0.00           O  
HETATM   25  N   UNL     1      -2.968  -0.412   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.683  -0.825   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.683  -1.650   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.968  -2.062   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.254  -1.650   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.254  -0.825   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.968  -2.888   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.397   2.062   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1      -5.112   1.650   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -4.397   2.888   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -5.112   2.475   0.000  1.00  0.00           F  
CONECT    1    2    6   32                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   25                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11   13                                            
CONECT   11   10   14   18                                            
CONECT   12    9                                                      
CONECT   13   10                                                      
CONECT   14   11   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18   19                                            
CONECT   18   17   11                                                 
CONECT   19   17                                                      
CONECT   20   16   21                                                 
CONECT   21   20   22   23   24                                       
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24   21                                                      
CONECT   25    3   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   28                                                      
CONECT   32    1   33   34   35                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D07ESG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.054   0.812   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.054  -0.013   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.340  -0.426   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.625  -0.013   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.625   0.812   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.340   1.224   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.841  -0.268   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.356   0.399   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.841   1.067   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1      -2.505  -1.022   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.685  -1.108   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.200  -0.441   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.535   0.313   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -5.769   1.224   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -6.483   0.812   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -5.769  -0.426   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -6.483  -0.013   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.050   0.980   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.230   0.894   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.106   0.141   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.926   0.054   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.411   0.722   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.075   1.475   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.255   1.562   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1      -0.379  -0.527   0.000  1.00  0.00           F  
HETATM   26  N   UNL     1       2.231   0.636   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.567  -0.118   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       2.082  -0.786   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       3.388  -0.204   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.723  -0.958   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       3.238  -1.625   0.000  1.00  0.00           O  
HETATM   32  N   UNL     1       4.544  -1.044   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       5.028  -0.377   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       5.849  -0.463   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       6.334   0.204   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       5.998   0.958   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       5.178   1.044   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       4.693   0.377   0.000  1.00  0.00           C  
HETATM   39  F   UNL     1       6.483   1.625   0.000  1.00  0.00           F  
HETATM   40  C   UNL     1       4.141   0.131   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       3.474   0.616   0.000  1.00  0.00           C  
CONECT    1    2    6   14                                            
CONECT    2    1    3   16                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9   13                                            
CONECT    9    8    5                                                 
CONECT   10    7   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8   18                                            
CONECT   14    1   15                                                 
CONECT   15   14                                                      
CONECT   16    2   17                                                 
CONECT   17   16                                                      
CONECT   18   13   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   20                                                      
CONECT   26   22   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27                                                      
CONECT   29   27   30   40   41                                       
CONECT   30   29   31   32                                            
CONECT   31   30                                                      
CONECT   32   30   33                                                 
CONECT   33   32   34   38                                            
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37   39                                            
CONECT   37   36   38                                                 
CONECT   38   37   33                                                 
CONECT   39   36                                                      
CONECT   40   29   41                                                 
CONECT   41   40   29                                                 
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D07EUB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.761   0.321   0.000  1.00  0.00           N  
HETATM    2  N   UNL     1      -2.761  -0.504   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.047  -0.916   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.333  -0.504   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.333   0.321   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.047   0.734   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.719   0.873   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.055   1.627   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.875   1.541   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.047  -1.741   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.333  -2.154   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.618  -1.741   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.618  -0.916   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.428   2.154   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.088   0.702   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.342  -0.083   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.149  -0.254   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.701   0.359   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.447   1.143   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.640   1.315   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1       0.385   2.099   0.000  1.00  0.00           F  
HETATM   22  O   UNL     1       0.096  -2.154   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       0.811  -1.741   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       1.404  -1.039   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       2.761  -0.600   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.211  -1.211   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   10                                            
CONECT    4    3    5   13                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1    9                                            
CONECT    7    5    8   15                                            
CONECT    8    7    9                                                 
CONECT    9    8    6   14                                            
CONECT   10    3   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   22                                            
CONECT   13   12    4                                                 
CONECT   14    9                                                      
CONECT   15    7   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   24                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
CONECT   22   12   23                                                 
CONECT   23   22                                                      
CONECT   24   26   17                                                 
CONECT   25   26                                                      
CONECT   26   25   24                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D07FAF
  -OEChem-09301911282D

 57 61  0     0  0  0  0  0  0999 V2000
   10.1270    3.1966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1581   -3.3614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7899   -0.0255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7617    0.1837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3107    1.0395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6678    2.7343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3142    3.2724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9769   -1.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9711   -1.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5734   -2.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3864   -0.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5617   -2.4464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1640   -3.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892    0.8332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9570    1.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8648    1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7308    1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464    2.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5968    1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7308    2.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4629    1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4629    2.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5968    3.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3568    1.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3568    3.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2629    2.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2629    1.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9949    2.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8590    3.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7270    2.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3606   -1.8144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5274   -1.3657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7981   -1.0441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0582   -2.3174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1442   -3.1098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8712   -0.5955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9572   -1.3879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0769   -2.7913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9908   -1.9989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6076   -3.7431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3369   -4.0647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5243   -3.8617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5968    0.5524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1939    2.9824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933    2.1178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5968    3.7924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1216    3.8617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9209    3.1445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3496    0.5178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3496    3.8271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7986    1.3396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5982    2.2234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3953    2.2265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8566    3.8233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7293    2.0866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2627    3.0187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  1 29  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 43  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  3 14  1  0  0  0  0
  4 16  2  0  0  0  0
  5 14  2  0  0  0  0
  5 22  1  0  0  0  0
  6 18  1  0  0  0  0
  6 22  2  0  0  0  0
  7 18  1  0  0  0  0
  7 48  1  0  0  0  0
  7 49  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 32  1  0  0  0  0
  9 12  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 13  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 44  1  0  0  0  0
 20 24  2  0  0  0  0
 20 45  1  0  0  0  0
 21 23  2  0  0  0  0
 21 25  1  0  0  0  0
 22 46  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 47  1  0  0  0  0
 25 28  2  0  0  0  0
 25 50  1  0  0  0  0
 26 27  2  0  0  0  0
 26 51  1  0  0  0  0
 27 28  1  0  0  0  0
 28 52  1  0  0  0  0
 29 30  1  0  0  0  0
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
 30 31  2  0  0  0  0
 30 55  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
M  END

$$$$
D07FCV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.371   1.211   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.371   0.386   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.656  -0.026   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.942   0.386   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.942   1.211   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.656   1.623   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.513   0.386   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.513   1.211   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.227   1.623   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       0.071  -0.197   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.896  -0.197   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.245  -0.960   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       1.308  -0.912   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.133  -0.912   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.546  -0.197   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.133   0.517   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.308   0.517   0.000  1.00  0.00           C  
HETATM   18 BR   UNL     1       2.546   1.232   0.000  1.00  0.00          Br  
HETATM   19  O   UNL     1       3.371  -0.197   0.000  1.00  0.00           O  
HETATM   20 BR   UNL     1       2.546  -1.626   0.000  1.00  0.00          Br  
HETATM   21  C   UNL     1       0.914   1.214   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.200   1.626   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    8    4   10                                            
CONECT    8    7    9   22                                            
CONECT    9    8    5                                                 
CONECT   10    7   11   12                                            
CONECT   11   10   13   17                                            
CONECT   12   10                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15   20                                            
CONECT   15   14   16   19                                            
CONECT   16   15   17   18                                            
CONECT   17   16   11                                                 
CONECT   18   16                                                      
CONECT   19   15                                                      
CONECT   20   14                                                      
CONECT   21   22                                                      
CONECT   22    8   21                                                 
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D07FFA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.941   0.621   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.941  -0.201   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.653  -0.612   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.365  -0.201   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.365   0.621   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.653   1.032   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.147  -0.455   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       3.630   0.210   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1       3.147   0.875   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1       1.653   1.854   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.941   2.265   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.190   1.931   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.360   2.542   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1       0.051   3.254   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.855   3.083   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.177   2.456   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.229  -0.612   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.229  -1.434   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.941  -1.845   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.653  -1.434   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.661   3.121   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.478   3.035   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.813   2.284   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.329   1.619   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.512   1.705   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.630   2.198   0.000  1.00  0.00           C  
HETATM   27  S   UNL     1       0.941  -2.670   0.000  1.00  0.00           S  
HETATM   28  C   UNL     1       0.358  -3.254   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       1.656  -2.258   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       1.525  -3.254   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   17                                            
CONECT    3    2    4   20                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    6   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16   13   21   25                                            
CONECT   17    2   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   27                                            
CONECT   20   19    3                                                 
CONECT   21   16   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   16                                                 
CONECT   26   23                                                      
CONECT   27   19   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D07FIY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.470   0.339   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.755  -0.074   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.041   0.339   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.327  -0.074   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.388   0.339   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.103  -0.074   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.388   1.164   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.327  -0.899   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.683   1.135   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.507   1.179   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.803   0.408   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1      -3.162  -0.111   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.162  -0.936   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.876  -1.348   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.876  -2.173   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.162  -2.586   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.447  -2.173   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.447  -1.348   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -1.733  -2.586   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1       1.103  -0.899   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       1.817  -1.311   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.531  -0.899   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.531  -0.074   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.817   0.339   0.000  1.00  0.00           C  
HETATM   25  H   UNL     1       3.246   0.339   0.000  1.00  0.00           H  
HETATM   26  C   UNL     1      -3.959   1.871   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -4.674   1.459   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -4.372   2.586   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -3.245   2.284   0.000  1.00  0.00           F  
HETATM   30  N   UNL     1       2.530  -1.724   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       3.245  -2.136   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.959  -1.724   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       4.674  -2.136   0.000  1.00  0.00           O  
CONECT    1    2    9   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5   20   24                                            
CONECT    7    5                                                      
CONECT    8    4                                                      
CONECT    9    1   10                                                 
CONECT   10    9   11   26                                            
CONECT   11   10   12                                                 
CONECT   12   11    1   13                                            
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   13                                                 
CONECT   19   17                                                      
CONECT   20    6   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   30                                            
CONECT   23   22   24   25                                            
CONECT   24   23    6                                                 
CONECT   25   23                                                      
CONECT   26   10   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30   22   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D07FMW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.064  -2.898   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.064  -3.723   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.349  -4.135   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.635  -3.723   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.635  -2.898   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.349  -2.485   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.677  -4.275   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -2.341  -5.029   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.521  -4.942   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.349  -1.660   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.064  -1.248   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.064  -0.423   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.778  -1.660   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1      -1.396   0.062   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.651   0.847   0.000  1.00  0.00           C  
HETATM   16  S   UNL     1      -2.476   0.847   0.000  1.00  0.00           S  
HETATM   17  C   UNL     1      -2.731   0.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.166   1.514   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.341   1.514   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1      -0.086   2.299   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.754   2.784   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.421   2.299   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.080  -2.485   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.794  -2.898   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.509  -2.485   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.509  -1.660   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.794  -1.248   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.080  -1.660   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.293  -2.740   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       2.778  -2.073   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       2.293  -1.405   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.755   3.611   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1      -2.173   3.611   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -0.755   5.029   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1       0.663   3.611   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   23                                            
CONECT    6    5    1   10                                            
CONECT    7    2    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    3                                                 
CONECT   10    6   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11   14   17                                            
CONECT   13   11                                                      
CONECT   14   12   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   32                                            
CONECT   22   21   18                                                 
CONECT   23    5   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   25   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   33   34   35   21                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END

$$$$

$$$$

$$$$
D07FRU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.232   3.950   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.518   4.362   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.803   3.950   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.089   4.362   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.374   3.950   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.660   4.362   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.055   3.950   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.769   4.362   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -2.089   5.187   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1       0.055   3.125   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.660   5.187   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.055   5.600   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.374   5.600   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.803   3.125   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.523   4.027   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.075   4.640   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.662   5.354   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.855   5.183   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.736   3.230   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.153   2.646   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       1.367   1.849   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.163   1.636   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.747   2.219   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.533   3.016   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.055   6.425   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.660   6.837   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.374   6.425   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.544   2.006   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.757   1.209   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.554   0.995   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.137   1.579   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.924   2.376   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.127   2.589   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1       5.934   1.365   0.000  1.00  0.00           F  
HETATM   35  C   UNL     1       3.174   0.625   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1       3.387  -0.172   0.000  1.00  0.00           N  
HETATM   37  C   UNL     1       2.804  -0.755   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1       3.018  -1.552   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1       2.007  -0.541   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       1.794   0.256   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       0.997   0.469   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       0.413  -0.114   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       0.627  -0.911   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       1.424  -1.125   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1       4.232  -3.950   0.000  1.00  0.00           C  
HETATM   46  N   UNL     1       3.518  -4.362   0.000  1.00  0.00           N  
HETATM   47  C   UNL     1       2.803  -3.950   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1       2.089  -4.362   0.000  1.00  0.00           C  
HETATM   49  N   UNL     1       1.374  -3.950   0.000  1.00  0.00           N  
HETATM   50  C   UNL     1       0.660  -4.362   0.000  1.00  0.00           C  
HETATM   51  C   UNL     1      -0.055  -3.950   0.000  1.00  0.00           C  
HETATM   52  N   UNL     1      -0.769  -4.362   0.000  1.00  0.00           N  
HETATM   53  O   UNL     1       2.089  -5.187   0.000  1.00  0.00           O  
HETATM   54  O   UNL     1      -0.055  -3.125   0.000  1.00  0.00           O  
HETATM   55  C   UNL     1       0.660  -5.187   0.000  1.00  0.00           C  
HETATM   56  C   UNL     1      -0.055  -5.600   0.000  1.00  0.00           C  
HETATM   57  C   UNL     1       1.374  -5.600   0.000  1.00  0.00           C  
HETATM   58  C   UNL     1       2.803  -3.125   0.000  1.00  0.00           C  
HETATM   59  C   UNL     1      -1.523  -4.027   0.000  1.00  0.00           C  
HETATM   60  C   UNL     1      -2.075  -4.640   0.000  1.00  0.00           C  
HETATM   61  C   UNL     1      -1.662  -5.354   0.000  1.00  0.00           C  
HETATM   62  C   UNL     1      -0.855  -5.183   0.000  1.00  0.00           C  
HETATM   63  C   UNL     1      -1.736  -3.230   0.000  1.00  0.00           C  
HETATM   64  C   UNL     1      -1.153  -2.646   0.000  1.00  0.00           C  
HETATM   65  N   UNL     1      -1.367  -1.849   0.000  1.00  0.00           N  
HETATM   66  C   UNL     1      -2.163  -1.636   0.000  1.00  0.00           C  
HETATM   67  C   UNL     1      -2.747  -2.219   0.000  1.00  0.00           C  
HETATM   68  C   UNL     1      -2.533  -3.016   0.000  1.00  0.00           C  
HETATM   69  C   UNL     1      -0.055  -6.425   0.000  1.00  0.00           C  
HETATM   70  C   UNL     1       0.660  -6.837   0.000  1.00  0.00           C  
HETATM   71  C   UNL     1       1.374  -6.425   0.000  1.00  0.00           C  
HETATM   72  C   UNL     1      -3.544  -2.006   0.000  1.00  0.00           C  
HETATM   73  C   UNL     1      -3.757  -1.209   0.000  1.00  0.00           C  
HETATM   74  C   UNL     1      -4.554  -0.995   0.000  1.00  0.00           C  
HETATM   75  C   UNL     1      -5.137  -1.579   0.000  1.00  0.00           C  
HETATM   76  C   UNL     1      -4.924  -2.376   0.000  1.00  0.00           C  
HETATM   77  C   UNL     1      -4.127  -2.589   0.000  1.00  0.00           C  
HETATM   78  F   UNL     1      -5.934  -1.365   0.000  1.00  0.00           F  
HETATM   79  C   UNL     1      -3.174  -0.625   0.000  1.00  0.00           C  
HETATM   80  N   UNL     1      -3.387   0.172   0.000  1.00  0.00           N  
HETATM   81  C   UNL     1      -2.804   0.755   0.000  1.00  0.00           C  
HETATM   82  O   UNL     1      -3.018   1.552   0.000  1.00  0.00           O  
HETATM   83  C   UNL     1      -2.007   0.541   0.000  1.00  0.00           C  
HETATM   84  C   UNL     1      -1.794  -0.256   0.000  1.00  0.00           C  
HETATM   85  C   UNL     1      -0.997  -0.469   0.000  1.00  0.00           C  
HETATM   86  C   UNL     1      -0.413   0.114   0.000  1.00  0.00           C  
HETATM   87  C   UNL     1      -0.627   0.911   0.000  1.00  0.00           C  
HETATM   88  C   UNL     1      -1.424   1.125   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4   14                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    7   11                                            
CONECT    7    6    8   10                                            
CONECT    8    7   15   18                                            
CONECT    9    4                                                      
CONECT   10    7                                                      
CONECT   11    6   12   13                                            
CONECT   12   11   25                                                 
CONECT   13   11   27                                                 
CONECT   14    3                                                      
CONECT   15    8   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17    8                                                 
CONECT   19   15   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   19                                                 
CONECT   25   12   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   13                                                 
CONECT   28   23   29   33                                            
CONECT   29   28   30   35                                            
CONECT   30   29   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34   31                                                      
CONECT   35   29   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38   39                                            
CONECT   38   37                                                      
CONECT   39   37   40   44                                            
CONECT   40   39   41                                                 
CONECT   41   40   42                                                 
CONECT   42   41   43   86                                            
CONECT   43   42   44                                                 
CONECT   44   43   39                                                 
CONECT   45   46                                                      
CONECT   46   45   47                                                 
CONECT   47   46   48   58                                            
CONECT   48   47   49   53                                            
CONECT   49   48   50                                                 
CONECT   50   49   51   55                                            
CONECT   51   50   52   54                                            
CONECT   52   51   59   62                                            
CONECT   53   48                                                      
CONECT   54   51                                                      
CONECT   55   50   56   57                                            
CONECT   56   55   69                                                 
CONECT   57   55   71                                                 
CONECT   58   47                                                      
CONECT   59   52   60   63                                            
CONECT   60   59   61                                                 
CONECT   61   60   62                                                 
CONECT   62   61   52                                                 
CONECT   63   59   64   68                                            
CONECT   64   63   65                                                 
CONECT   65   64   66                                                 
CONECT   66   65   67                                                 
CONECT   67   66   68   72                                            
CONECT   68   67   63                                                 
CONECT   69   56   70                                                 
CONECT   70   69   71                                                 
CONECT   71   70   57                                                 
CONECT   72   67   73   77                                            
CONECT   73   72   74   79                                            
CONECT   74   73   75                                                 
CONECT   75   74   76   78                                            
CONECT   76   75   77                                                 
CONECT   77   76   72                                                 
CONECT   78   75                                                      
CONECT   79   73   80                                                 
CONECT   80   79   81                                                 
CONECT   81   80   82   83                                            
CONECT   82   81                                                      
CONECT   83   81   84   88                                            
CONECT   84   83   85                                                 
CONECT   85   84   86                                                 
CONECT   86   85   87   42                                            
CONECT   87   86   88                                                 
CONECT   88   87   83                                                 
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
M  END

$$$$
D07FWF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.630   0.556   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.908   0.157   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.201   0.583   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.479   0.183   0.000  1.00  0.00           N  
HETATM    5  O   UNL     1      -1.217   1.407   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1      -0.464  -0.641   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.259  -1.040   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.965  -0.615   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.950   0.210   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.228   0.609   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.687  -1.014   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.703  -1.838   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.425  -2.237   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.131  -1.812   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.116  -0.987   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.394  -0.588   0.000  1.00  0.00           C  
HETATM   17  F   UNL     1       2.378   0.237   0.000  1.00  0.00           F  
HETATM   18  C   UNL     1       3.846  -2.224   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.560  -1.812   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       5.275  -2.224   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       5.989  -1.812   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       4.560  -0.987   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1      -2.731   1.374   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.542   1.531   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.941   0.809   0.000  1.00  0.00           C  
HETATM   26  S   UNL     1      -3.377   0.206   0.000  1.00  0.00           S  
HETATM   27  C   UNL     1      -3.941   2.237   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.765   2.237   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.164   1.531   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.765   0.809   0.000  1.00  0.00           C  
HETATM   31 CL   UNL     1      -5.989   1.535   0.000  1.00  0.00          Cl  
HETATM   32  C   UNL     1       0.212   1.434   0.000  1.00  0.00           C  
HETATM   33  H   UNL     1      -1.170  -1.067   0.000  1.00  0.00           H  
CONECT    1    2   23   26                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    5                                            
CONECT    4    3    6   10                                            
CONECT    5    3                                                      
CONECT    6    4    7   33                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    4   32                                            
CONECT   11    8   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   11   17                                            
CONECT   17   16                                                      
CONECT   18   14   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20                                                      
CONECT   22   19                                                      
CONECT   23    1   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26   30                                            
CONECT   26   25    1                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29   25                                                 
CONECT   31   29                                                      
CONECT   32   10                                                      
CONECT   33    6                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D07GAP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.429  -1.238   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.715  -1.650   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000  -1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.715   0.000   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.143  -1.650   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.715  -1.650   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.429  -1.238   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1       2.143  -1.650   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1       0.715  -2.475   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       0.715   0.000   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.715   0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.429   1.238   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.429   2.062   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.715   2.475   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.000   2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.000   1.238   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6   12                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    4    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9                                                      
CONECT   11    8                                                      
CONECT   12    5   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D07GJH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.257   1.927   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.257   1.102   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.543   0.689   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.829   1.102   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.829   1.927   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.543   2.339   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.114   0.689   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.028  -0.131   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.221  -0.303   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.192   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.360   1.025   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -3.972   2.339   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1      -1.641  -0.683   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.426  -0.428   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.039  -0.980   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.867  -1.787   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.083  -2.042   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.469  -1.490   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -3.480  -2.339   0.000  1.00  0.00          Cl  
HETATM   20 CL   UNL     1      -0.685  -1.745   0.000  1.00  0.00          Cl  
HETATM   21  C   UNL     1      -0.189   1.832   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.012   0.498   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.348   1.252   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       1.497  -0.169   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.322  -0.169   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.735  -0.884   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.559  -0.884   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.972  -0.169   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.559   0.545   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.735   0.545   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   22                                            
CONECT   11   10    7   21                                            
CONECT   12    1                                                      
CONECT   13    8   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13   20                                            
CONECT   19   16                                                      
CONECT   20   18                                                      
CONECT   21   11                                                      
CONECT   22   10   23   24                                            
CONECT   23   22                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D07GSH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.479   0.741   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.147   0.256   0.000  1.00  0.00           N  
HETATM    3  N   UNL     1      -0.892  -0.528   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.067  -0.528   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.188   0.256   0.000  1.00  0.00           C  
HETATM    6  S   UNL     1      -1.377  -1.196   0.000  1.00  0.00           S  
HETATM    7  C   UNL     1      -1.789  -1.910   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.610  -1.997   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.781  -2.804   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.067  -3.216   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.454  -2.664   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.535  -3.139   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.069  -0.747   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1      -0.685  -1.645   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       0.973   0.511   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.479   1.566   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.235   1.979   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.235   2.804   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.479   3.216   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.194   2.804   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.194   1.979   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.586  -0.041   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.370   0.214   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.542   1.021   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.929   1.573   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.144   1.318   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.954  -0.369   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       3.535  -0.951   0.000  1.00  0.00           N  
CONECT    1    2    5   16                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4    1   15                                            
CONECT    6    3    7   13   14                                       
CONECT    7    6    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11                                                 
CONECT   11   10    7                                                 
CONECT   12    9                                                      
CONECT   13    6                                                      
CONECT   14    6                                                      
CONECT   15    5   22   26                                            
CONECT   16    1   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   15   23                                                 
CONECT   23   27   22   24                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   15                                                 
CONECT   27   28   23                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D07GZU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.551   0.240   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.551  -0.585   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.837  -0.997   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.122  -0.585   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.122   0.240   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.837   0.653   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.408   0.653   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.306   0.240   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.021   0.653   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.736   0.240   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.450   0.653   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.450   1.478   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.736   1.890   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.021   1.478   0.000  1.00  0.00           C  
HETATM   15  F   UNL     1       3.164   0.240   0.000  1.00  0.00           F  
HETATM   16  N   UNL     1      -3.164  -1.137   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1      -2.829  -1.890   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.008  -1.804   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1       3.164   1.890   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3   16                                            
CONECT    3    2    4   18                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13   19                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   11                                                      
CONECT   16    2   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17    3                                                 
CONECT   19   12                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D07HJT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930  -0.262   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930  -1.087   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215  -1.499   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501  -1.087   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501  -0.262   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215   0.151   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.786   0.151   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.072  -0.262   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.357   0.151   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.357   0.976   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.072   1.389   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.786   0.976   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.357  -0.262   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.072   0.151   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       0.357  -1.087   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.786  -0.262   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.501   0.151   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.215  -0.262   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.930   0.151   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.930   0.976   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.215   1.389   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.501   0.976   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.644   1.389   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       5.359   0.976   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1       4.644   2.213   0.000  1.00  0.00           N  
HETATM   26  S   UNL     1      -4.644  -1.499   0.000  1.00  0.00           S  
HETATM   27  O   UNL     1      -5.057  -0.784   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1      -4.232  -2.213   0.000  1.00  0.00           O  
HETATM   29  N   UNL     1      -5.359  -1.911   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   26                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    9   14   15                                            
CONECT   14   13   16                                                 
CONECT   15   13                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   20   24   25                                            
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26    2   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D07HNU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.515  -0.859   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.515  -1.684   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.800  -2.097   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.086  -1.684   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.086  -0.859   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.800  -0.447   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.160  -0.345   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.964  -0.528   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.322  -1.272   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.964  -2.015   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.160  -2.199   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.628  -0.447   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.628   0.378   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.086   0.791   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.800   0.378   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.343  -0.859   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.058  -0.447   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.058   0.378   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.343   0.791   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.671   0.930   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.335   1.684   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.514   1.598   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.811   0.043   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.086  -0.034   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.515  -0.034   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.479   0.117   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       0.628  -1.272   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.963   2.211   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       3.479   0.528   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       2.897  -0.778   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       1.217   2.995   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.155   2.039   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.577  -2.782   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.373  -2.995   0.000  1.00  0.00           C  
CONECT    1    2    6    7   25                                       
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   12   24                                       
CONECT    6    5    1   15                                            
CONECT    7    1    8                                                 
CONECT    8    7    9   26                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    2   33   34                                       
CONECT   12    5   13   16   27                                       
CONECT   13   12   14   19                                            
CONECT   14   13   15                                                 
CONECT   15   14    6                                                 
CONECT   16   12   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   20   23                                       
CONECT   19   18   13   22                                            
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   19   28                                            
CONECT   23   18   29   30                                            
CONECT   24    5                                                      
CONECT   25    1                                                      
CONECT   26    8                                                      
CONECT   27   12                                                      
CONECT   28   22   31   32                                            
CONECT   29   23                                                      
CONECT   30   23                                                      
CONECT   31   28                                                      
CONECT   32   28                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D07HOA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.870   1.835   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.870   1.010   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.155   0.598   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.441   1.010   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.441   1.835   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.155   2.248   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.584   0.598   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.299   1.010   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -5.013   0.598   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -5.013  -0.227   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.299  -0.640   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.584  -0.227   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -5.626  -0.779   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.291  -1.533   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -4.471  -1.447   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1      -5.703  -2.248   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.727   2.248   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.012   1.835   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.012   1.010   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.727   0.598   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.727  -0.227   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.012  -0.640   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       0.702  -0.227   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       0.702   0.598   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.417   1.010   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       2.131   0.598   0.000  1.00  0.00           N  
HETATM   27  O   UNL     1       1.417   1.835   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       2.846   1.010   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.560   0.598   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.560  -0.227   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.274  -0.640   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.989  -0.227   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.989   0.598   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.274   1.010   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1       5.703  -0.640   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   17                                            
CONECT    6    5    1                                                 
CONECT    7    2    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12   15                                            
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   11                                                 
CONECT   16   14                                                      
CONECT   17    5   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19   25                                            
CONECT   25   24   26   27                                            
CONECT   26   25   28                                                 
CONECT   27   25                                                      
CONECT   28   26   29                                                 
CONECT   29   28   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   35                                            
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END

$$$$

$$$$

$$$$
D07IHT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.572   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.143   2.062   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.429   1.650   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.715   2.062   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.000   1.650   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.715   2.062   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.429   1.650   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.143   2.062   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.858   1.650   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.858   0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.572   0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.287   0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       4.287   1.650   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.572   2.062   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.429   0.825   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       0.000   0.825   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       1.429   0.825   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.715   0.412   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.715  -0.412   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.000  -0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.715  -0.412   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.715   0.412   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       0.000  -1.650   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.715  -2.062   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.715  -2.062   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   20                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   21                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   22                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20    8                                                      
CONECT   21   10   23   27                                            
CONECT   22   12                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   21                                                 
CONECT   28   25   29   30                                            
CONECT   29   28                                                      
CONECT   30   28                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D07IQE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.454  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.742   0.205   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.028  -0.207   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.313   0.205   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.313   1.030   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.028   1.443   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.742   1.030   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.601   1.442   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.113   1.029   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.113   0.204   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.601  -0.208   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.601  -1.033   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.113  -1.446   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.828  -1.033   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.828  -0.208   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.540   0.203   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.252  -0.208   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       1.540   1.025   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.966   0.204   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.681  -0.208   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.681  -1.033   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.395  -1.446   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       5.110  -1.033   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       5.110  -0.208   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.395   0.204   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1       5.822   0.203   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1       5.822  -1.444   0.000  1.00  0.00           F  
HETATM   28  C   UNL     1       2.966   1.029   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.208   0.130   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.760  -0.483   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -4.347  -1.198   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1      -3.540  -1.026   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.463   0.915   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1      -5.270   1.086   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1      -5.822   0.473   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1      -5.567  -0.312   0.000  1.00  0.00           N  
HETATM   37  N   UNL     1      -3.911   1.528   0.000  1.00  0.00           N  
HETATM   38  C   UNL     1      -0.601   2.267   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       0.113  -2.267   0.000  1.00  0.00           C  
HETATM   40  N   UNL     1      -2.316  -2.267   0.000  1.00  0.00           N  
CONECT    1    2   29   32                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    7                                                 
CONECT    7    6    2                                                 
CONECT    8    5    9   38                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   39                                            
CONECT   14   13   15                                                 
CONECT   15   14   10   16                                            
CONECT   16   15   17   18                                            
CONECT   17   16   19                                                 
CONECT   18   16                                                      
CONECT   19   17   20   28                                            
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   27                                            
CONECT   24   23   25   26                                            
CONECT   25   24   20                                                 
CONECT   26   24                                                      
CONECT   27   23                                                      
CONECT   28   19                                                      
CONECT   29    1   30   33                                            
CONECT   30   29   31   36                                            
CONECT   31   30   32                                                 
CONECT   32   31    1                                                 
CONECT   33   29   34   37                                            
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   30                                                 
CONECT   37   33                                                      
CONECT   38    8                                                      
CONECT   39   40   13                                                 
CONECT   40   39                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END

$$$$

$$$$
D07IQM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.414  -2.201   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.589  -2.201   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.176  -1.487   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.589  -0.772   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.414  -0.772   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.827  -1.487   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.369  -1.315   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.283  -0.495   0.000  1.00  0.00           N  
HETATM    9 SE   UNL     1      -3.037  -0.159   0.000  1.00  0.00          Se  
HETATM   10  O   UNL     1      -1.786  -1.899   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.700   0.089   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.986  -0.324   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.402   0.260   0.000  1.00  0.00           C  
HETATM   14  S   UNL     1       0.312  -0.153   0.000  1.00  0.00           S  
HETATM   15  C   UNL     1       0.896   0.430   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.610   0.018   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.194   0.601   0.000  1.00  0.00           N  
HETATM   18 SE   UNL     1       2.908   0.189   0.000  1.00  0.00          Se  
HETATM   19  C   UNL     1       3.521   0.741   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.186   1.494   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.365   1.408   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       1.782   1.992   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       4.342   0.655   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.827   1.322   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.491   2.076   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.671   2.162   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.335   2.916   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.176  -2.916   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   28                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8   10                                            
CONECT    8    7    9   11                                            
CONECT    9    8    4                                                 
CONECT   10    7                                                      
CONECT   11    8   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21   26                                            
CONECT   21   20   17   22                                            
CONECT   22   21                                                      
CONECT   23   19   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   20   27                                            
CONECT   27   26                                                      
CONECT   28    2                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D07IYX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.680   1.399   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.680   0.574   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.035   0.059   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.769   0.243   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       1.127   0.986   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.769   1.730   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.035   1.913   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.219  -0.745   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.007  -0.988   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.191  -1.792   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.586  -2.354   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.203  -2.110   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.386  -1.306   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.952   0.986   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       1.192   2.438   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1       0.649   3.059   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.109   2.735   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -0.769  -3.158   0.000  1.00  0.00          Cl  
HETATM   19  C   UNL     1      -0.817   3.158   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       2.535   0.403   0.000  1.00  0.00           O  
HETATM   21  S   UNL     1       3.332   0.616   0.000  1.00  0.00           S  
HETATM   22  C   UNL     1      -1.395   1.811   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.109   1.399   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.109   0.574   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.395   0.161   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       3.119   1.413   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1       3.546  -0.180   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       4.129   0.830   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.824   0.161   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.577   0.497   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -4.129  -0.116   0.000  1.00  0.00           N  
HETATM   32  N   UNL     1      -3.717  -0.831   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1      -2.910  -0.659   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.052  -1.585   0.000  1.00  0.00           C  
CONECT    1    2    7   22                                            
CONECT    2    1    3   25                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   14                                            
CONECT    6    5    7   15                                            
CONECT    7    6    1   17                                            
CONECT    8    3    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   18                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    5   20                                                 
CONECT   15    6   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16    7   19                                            
CONECT   18   11                                                      
CONECT   19   17                                                      
CONECT   20   14   21                                                 
CONECT   21   20   26   27   28                                       
CONECT   22    1   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24    2                                                 
CONECT   26   21                                                      
CONECT   27   21                                                      
CONECT   28   21                                                      
CONECT   29   24   30   33                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   34                                            
CONECT   33   32   29                                                 
CONECT   34   32                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D07JBL
  -OEChem-09301911172D

 33 35  0     1  0  0  0  0  0999 V2000
    4.2690   -2.1440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.1440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -0.1440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.1440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -0.9488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.8560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3560    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -0.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812    0.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648   -0.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1648    0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1648    0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648    1.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6648    1.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1648    2.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1648    2.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    1.3309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    1.3309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.9760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5572   -0.7546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2474   -0.3561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.4760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4748    0.1851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0448    1.5880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2848    1.5880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8548    2.9910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4748    2.9910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 30  1  0  0  0  0
  2 12  2  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5 10  2  0  0  0  0
  9  6  1  1  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 22  1  0  0  0  0
 11 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 28  1  0  0  0  0
 16 18  2  0  0  0  0
 16 29  1  0  0  0  0
 17 19  2  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
M  END

$$$$
D07JFY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.857  -0.489   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.032  -0.489   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.620   0.225   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.032   0.940   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.857   0.940   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.270   0.225   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.480  -1.103   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.727  -0.767   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.813   0.053   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.394  -1.923   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.587  -2.095   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.175  -1.380   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.098   0.466   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.646   0.110   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.326   0.577   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.860  -0.686   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       2.071   0.222   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.751   0.689   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.687   1.511   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.942   1.867   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.262   1.400   0.000  1.00  0.00           C  
HETATM   22 CL   UNL     1       0.547   1.812   0.000  1.00  0.00          Cl  
HETATM   23 BR   UNL     1       3.270   2.095   0.000  1.00  0.00          Br  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8   10                                            
CONECT    8    7    9   12                                            
CONECT    9    8    3   13                                            
CONECT   10    7   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    8                                                 
CONECT   13    9   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   17   21                                            
CONECT   16   14                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   15   22                                            
CONECT   22   21                                                      
CONECT   23   19                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D07JHU
  -OEChem-09301911242D

 43 45  0     1  0  0  0  0  0999 V2000
    8.9962    0.7479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -0.2521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -1.7279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.2479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.2521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8413    2.2177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -3.7521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9391    2.8357    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6301    3.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6301    3.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3211    2.8357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8902    2.5267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -2.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -1.7174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -3.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0361    2.2233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2366    3.9157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5653    4.4034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6949    4.4034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0237    3.9157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7547    3.0879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0111    2.2988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0520    1.3305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6535    0.6402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -0.5621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -1.0975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -1.9421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -4.4067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1963   -3.5850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -3.5621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -1.6865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -2.5325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079   -2.7627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 15  2  0  0  0  0
  3 22  1  0  0  0  0
  3 25  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  5 35  1  0  0  0  0
  6 14  3  0  0  0  0
  7 18  2  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  1  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 19 36  1  0  0  0  0
 20 24  2  0  0  0  0
 20 37  1  0  0  0  0
 21 23  2  0  0  0  0
 21 38  1  0  0  0  0
 22 23  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
M  END

$$$$
D07JJT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.096  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.096  -1.031   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.382  -1.444   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.333  -1.031   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.333  -0.206   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.382   0.206   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -1.881   0.049   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1      -2.366  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.881  -1.286   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.382   1.031   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.047   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.047   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.762   1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.762   2.269   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.047   2.681   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.333   2.269   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.333   1.444   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.047  -1.444   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.047  -2.269   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.762  -2.681   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.476  -2.269   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.476  -1.444   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.762  -1.031   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       3.191  -1.031   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.191  -0.619   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.474   1.034   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       1.649   1.034   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   18                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1   10                                            
CONECT    7    1    8                                                 
CONECT    8    7    9   25                                            
CONECT    9    8    2                                                 
CONECT   10    6                                                      
CONECT   11    5   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   26                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    4   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   18                                                 
CONECT   24   22                                                      
CONECT   25    8                                                      
CONECT   26   13   27                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D07JMG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.714   1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.714   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.429   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.143   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.143   1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.429   1.650   0.000  1.00  0.00           C  
HETATM    7  B   UNL     1       2.858   1.650   0.000  1.00  0.00           B  
HETATM    8  O   UNL     1       2.858   2.475   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1       3.572   1.238   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       0.000   1.650   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.714   1.238   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.714   0.412   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.000   0.000   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       0.000  -0.825   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.429   0.000   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.429  -0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.143  -1.238   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.858  -0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.572  -1.238   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.572  -2.062   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.858  -2.475   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.143  -2.062   0.000  1.00  0.00           C  
CONECT    1    2    6   10                                            
CONECT    2    1    3   13                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    1   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12    2   14                                            
CONECT   14   13                                                      
CONECT   15   12   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D07JNJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.056  -0.151   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.771   0.262   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.485  -0.151   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       2.200   0.262   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.658   0.262   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.658   1.087   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.373   1.499   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.087   1.087   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.087   0.262   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.373  -0.151   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.785   2.213   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.960   2.213   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.801  -0.151   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.801  -0.976   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.087  -1.389   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.373  -0.976   0.000  1.00  0.00           C  
HETATM   17  H   UNL     1      -3.516  -1.389   0.000  1.00  0.00           H  
HETATM   18  O   UNL     1       0.771   1.087   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.914  -0.151   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.629   0.262   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.629   1.087   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.914   1.499   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.200   1.087   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.914  -0.976   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.629  -1.389   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       4.343  -0.976   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       4.343  -0.151   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.629  -2.213   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.518   1.502   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.518   0.677   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -2.693   0.677   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -3.518  -0.148   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -4.343   0.677   0.000  1.00  0.00           F  
CONECT    1    2    5                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4                                                 
CONECT    4    3   19   23                                            
CONECT    5    1    6   10                                            
CONECT    6    5    7                                                 
CONECT    7    6    8   11   12                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9    5   16                                            
CONECT   11    7                                                      
CONECT   12    7                                                      
CONECT   13    9   14   29                                            
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   10                                                 
CONECT   17   14                                                      
CONECT   18    2                                                      
CONECT   19    4   20   24                                            
CONECT   20   19   21   27                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22    4                                                 
CONECT   24   19   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   20                                                 
CONECT   28   25                                                      
CONECT   29   13   30                                                 
CONECT   30   29   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D07JOR
  -OEChem-09301911152D

 54 57  0     1  0  0  0  0  0999 V2000
   17.7629   -1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.6793   -0.9387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2629   -0.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.3660    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.0010   -0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.3660    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6793    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2629   -0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2629   -0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7629   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7629    0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7629   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7629    0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2629   -0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7629   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7629   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2629   -0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2629   -1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2629   -0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2629   -1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7629   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905   -0.5263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890   -1.2166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656    1.3410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685    1.3410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685   -1.6089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656   -1.6089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335    1.3410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365    1.3410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    0.0560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8719    1.2601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490   -0.6340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890   -0.6340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4529   -1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4529    1.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0729   -1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0729    1.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1803   -1.2120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8706   -1.6106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9529    0.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9529   -2.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5729    0.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5729   -2.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2 12  1  0  0  0  0
  2 15  1  0  0  0  0
  3 18  1  0  0  0  0
  3 48  1  0  0  0  0
  4 18  2  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 10  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 12  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 13 16  1  0  0  0  0
 13 18  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  2  0  0  0  0
 14 40  1  0  0  0  0
 15 17  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 44  1  0  0  0  0
 20 22  2  0  0  0  0
 20 45  1  0  0  0  0
 21 23  2  0  0  0  0
 21 46  1  0  0  0  0
 22 23  1  0  0  0  0
 22 47  1  0  0  0  0
 24 25  1  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 51  1  0  0  0  0
 27 29  2  0  0  0  0
 27 52  1  0  0  0  0
 28 30  2  0  0  0  0
 28 53  1  0  0  0  0
 29 30  1  0  0  0  0
 29 54  1  0  0  0  0
M  END

$$$$
D07JQX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.000   1.650   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.000   0.825   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.715   0.412   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.429   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.429   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.715   2.062   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.143   0.412   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.858   0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.858   1.650   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.143   2.062   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       3.572   0.412   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1      -0.715   0.412   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.429   1.650   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.143   2.062   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.858   1.650   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.858   0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.143  -0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.858  -0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.858  -1.650   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       3.572  -2.062   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1      -3.572   2.062   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       3.572   2.062   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   12                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   19                                            
CONECT    8    7    9   11                                            
CONECT    9    8   10   24                                            
CONECT   10    9    5                                                 
CONECT   11    8                                                      
CONECT   12    2   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   23                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19    7   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21                                                      
CONECT   23   16                                                      
CONECT   24    9                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D07JTE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.548  -0.716   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.723  -0.716   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.311  -0.001   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.723   0.713   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.548   0.713   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.961  -0.001   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.486  -0.001   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.000  -0.668   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.216  -0.412   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.216   0.412   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1      -1.001   0.667   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.499  -0.825   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.213  -0.412   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.213   0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.499   0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.928  -0.825   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.928  -1.650   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.642  -0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.357  -0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.071  -0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.071   0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.357   0.825   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.642   0.412   0.000  1.00  0.00           C  
HETATM   24  H   UNL     1       3.357   1.650   0.000  1.00  0.00           H  
HETATM   25 CL   UNL     1       4.786  -0.825   0.000  1.00  0.00          Cl  
HETATM   26  F   UNL     1      -4.786  -0.001   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   26                                            
CONECT    7    3    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11   15                                            
CONECT   11   10    7                                                 
CONECT   12    9   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   18                                                 
CONECT   24   22                                                      
CONECT   25   20                                                      
CONECT   26    6                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D07JTJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.705   1.058   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.705   0.233   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.010  -0.180   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.724   0.233   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.724   1.058   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.010   1.470   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.509  -0.022   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.994   0.645   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.509   1.313   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.819   0.645   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.231  -0.069   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       4.056  -0.069   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       4.469   0.645   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.056   1.360   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.231   1.360   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       5.294   0.645   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       5.706  -0.069   0.000  1.00  0.00           N  
HETATM   18  N   UNL     1       2.819  -0.784   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       3.231  -1.498   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.018  -2.295   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1       2.193  -2.295   0.000  1.00  0.00           F  
HETATM   22  O   UNL     1       4.056  -1.498   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       0.010   2.295   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.419   1.470   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.134   1.058   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.848   1.470   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.563   1.058   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.277   1.470   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.992   1.058   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -5.706   1.470   0.000  1.00  0.00           N  
HETATM   31  O   UNL     1      -2.134   0.233   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -2.848   2.295   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       0.010  -1.005   0.000  1.00  0.00           C  
CONECT    1    2    6   24                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   33                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   23                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12   18                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17                                                 
CONECT   17   16                                                      
CONECT   18   11   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20                                                      
CONECT   22   19                                                      
CONECT   23    6                                                      
CONECT   24    1   25                                                 
CONECT   25   24   26   31                                            
CONECT   26   25   27   32                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29                                                      
CONECT   31   25                                                      
CONECT   32   26                                                      
CONECT   33    3                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D07KER
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.362  -0.376   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.537  -0.376   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.125   0.338   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.537   1.053   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.362   1.053   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.775   0.338   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.300   0.338   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.814  -0.329   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.030  -0.073   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.030   0.752   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1      -0.815   1.006   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.685  -0.486   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.399  -0.073   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.399   0.752   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.685   1.164   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.114  -0.486   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.114  -1.311   0.000  1.00  0.00           O  
HETATM   18  F   UNL     1      -4.600   0.338   0.000  1.00  0.00           F  
HETATM   19  N   UNL     1       2.828  -0.073   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       3.510  -0.538   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.298  -0.295   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.600   0.473   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.187   1.188   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.371   1.311   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.767   0.750   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   18                                            
CONECT    7    3    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11   15                                            
CONECT   11   10    7                                                 
CONECT   12    9   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   19                                            
CONECT   17   16                                                      
CONECT   18    6                                                      
CONECT   19   16   20   25                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   19                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D07KMK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.889  -0.683   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.889  -1.508   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.174  -1.921   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.540  -1.508   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.540  -0.683   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.174  -0.271   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.325  -1.763   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.810  -1.096   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.325  -0.428   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.580   0.356   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.365   0.611   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.365   1.436   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       1.580   1.691   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.095   1.024   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.603  -0.271   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.603   0.554   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.317   0.967   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.032   0.554   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.032  -0.271   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.317  -0.683   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.032   1.921   0.000  1.00  0.00           C  
CONECT    1    2    6   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   21                                            
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15    1   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   12                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D07KON
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.212   1.097   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.212   0.272   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.498  -0.141   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.783   0.272   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.783   1.097   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.498   1.509   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.498  -0.966   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.081  -1.549   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.498  -2.132   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.914  -1.549   0.000  1.00  0.00           C  
HETATM   11  F   UNL     1      -3.498  -2.957   0.000  1.00  0.00           F  
HETATM   12  C   UNL     1      -2.200   1.680   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.612   2.395   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.409   2.608   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.616   1.097   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.616   0.272   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1      -1.033   1.680   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.450   1.097   0.000  1.00  0.00           C  
HETATM   19  S   UNL     1      -0.236   0.300   0.000  1.00  0.00           S  
HETATM   20  C   UNL     1       0.588   0.257   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.883   1.027   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1       0.242   1.546   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1       1.000  -0.458   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.797  -0.244   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.512  -0.657   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.125  -0.105   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       2.789   0.649   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       1.969   0.563   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.202   1.364   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       3.998   1.577   0.000  1.00  0.00           N  
HETATM   31  N   UNL     1       4.212   2.374   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       3.629   2.957   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.832   2.744   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.618   1.947   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   12                                            
CONECT    6    5    1                                                 
CONECT    7    3    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    7                                                 
CONECT   11    9                                                      
CONECT   12    5   15   13                                            
CONECT   13   14   12                                                 
CONECT   14   13                                                      
CONECT   15   12   16   17                                            
CONECT   16   15                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   18                                                 
CONECT   23   20   24                                                 
CONECT   24   23   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   24                                                 
CONECT   29   27   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D07KQB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.962   0.471   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.925  -0.354   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       3.620  -0.797   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       4.352  -0.417   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       4.389   0.407   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.694   0.851   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.266   0.914   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.886   1.647   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.442   0.951   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.833   0.394   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.047   0.643   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.562   0.086   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.384  -0.720   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.402  -0.968   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.011  -0.411   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.993  -1.276   0.000  1.00  0.00           C  
HETATM   17  F   UNL     1       1.329   2.255   0.000  1.00  0.00           F  
HETATM   18  C   UNL     1       2.329   2.342   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.949   3.074   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1      -1.780  -1.028   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.388  -1.585   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.210  -2.390   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.424  -2.639   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.815  -2.082   0.000  1.00  0.00           N  
HETATM   25  H   UNL     1      -3.175  -1.336   0.000  1.00  0.00           H  
HETATM   26  N   UNL     1       2.956   2.363   0.000  1.00  0.00           N  
HETATM   27  O   UNL     1       3.671   1.951   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1      -3.019  -3.074   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.602  -2.491   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1      -4.389  -2.748   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -3.397  -1.694   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8    9                                            
CONECT    8    7    9   17   18                                       
CONECT    9    8    7   10                                            
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   20   24                                            
CONECT   17    8                                                      
CONECT   18    8   19   26                                            
CONECT   19   18                                                      
CONECT   20   16   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23   28                                            
CONECT   23   22   24                                                 
CONECT   24   23   16                                                 
CONECT   25   21                                                      
CONECT   26   18   27                                                 
CONECT   27   26                                                      
CONECT   28   22   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29                                                      
CONECT   31   29                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D07KTM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.662   1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.662   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.947   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.233   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.233   1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.947   1.650   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.518   0.000   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.804   0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.804   1.238   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.518   1.650   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.518  -0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.233  -1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.233  -2.062   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.518  -2.475   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.804  -2.062   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.804  -1.238   0.000  1.00  0.00           C  
HETATM   17  F   UNL     1      -0.090  -0.825   0.000  1.00  0.00           F  
HETATM   18  C   UNL     1      -0.090   1.650   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.625   1.238   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1      -0.090   2.475   0.000  1.00  0.00           O  
HETATM   21  H   UNL     1       0.625   0.412   0.000  1.00  0.00           H  
HETATM   22  C   UNL     1      -0.091   0.000   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.187   1.087   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.662   1.087   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.249   1.801   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.425   1.801   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.012   1.087   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.425   0.372   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.249   0.372   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       0.774   0.372   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   22                                            
CONECT    9    8   10   18                                            
CONECT   10    9    5                                                 
CONECT   11    7   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11   17                                            
CONECT   17   16                                                      
CONECT   18    9   19   20                                            
CONECT   19   18   21   23                                            
CONECT   20   18                                                      
CONECT   21   19                                                      
CONECT   22    8                                                      
CONECT   23   19   27   30                                            
CONECT   24   29   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   23                                            
CONECT   28   27   29                                                 
CONECT   29   24   28                                                 
CONECT   30   23                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D07KVL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.947  -0.377   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       1.661  -0.790   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       2.376  -0.377   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       3.090  -0.790   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       3.805  -0.377   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       4.519  -0.790   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       4.605  -1.610   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       5.412  -1.782   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       5.825  -1.067   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       5.273  -0.454   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       0.947   0.448   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.232  -0.790   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.482  -0.377   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.197  -0.790   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.197  -1.615   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.482  -2.027   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.232  -1.615   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.780  -0.206   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.600  -0.299   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.039  -0.997   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.766  -1.776   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.988  -2.048   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.859  -0.905   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.350  -2.359   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.175  -2.359   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.039   0.400   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.508   0.572   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.046   1.198   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.773   1.976   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.311   2.602   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.122   2.448   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.394   1.670   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.856   1.044   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1      -3.660   3.074   0.000  1.00  0.00           F  
HETATM   35  C   UNL     1      -4.587  -1.645   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.412  -1.645   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.825  -2.359   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.412  -3.074   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.587  -3.074   0.000  1.00  0.00           C  
CONECT    1    2   11   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7   10                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    6                                                 
CONECT   11    1                                                      
CONECT   12    1   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16   22                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   14   19   27                                            
CONECT   19   18   20   26                                            
CONECT   20   19   21   23                                            
CONECT   21   20   22   24                                            
CONECT   22   21   15                                                 
CONECT   23   20                                                      
CONECT   24   21   25                                                 
CONECT   25   24   35   39                                            
CONECT   26   19                                                      
CONECT   27   18   28                                                 
CONECT   28   27   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34   31                                                      
CONECT   35   25   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   25                                                 
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END

$$$$

$$$$

$$$$
D07KVU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.368   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.368  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.653  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.939  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.939   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.653   0.825   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.653   1.650   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.939   2.062   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.224   1.650   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.510   2.062   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.510   2.888   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.224   3.300   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.939   2.888   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -0.795   1.650   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.709   0.830   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.098   0.658   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.510   1.373   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.042   1.986   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.261   0.216   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.006  -0.568   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.199  -0.740   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.353  -0.127   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       1.160  -0.298   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.653  -1.650   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.367  -2.062   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1      -2.939  -2.062   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.938  -2.888   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.224  -3.300   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -1.510  -2.888   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -1.510  -2.062   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.224  -1.650   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.725  -3.142   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1      -0.240  -2.475   0.000  1.00  0.00           N  
HETATM   34  N   UNL     1      -0.725  -1.808   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       1.415  -1.083   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.222  -1.254   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       2.774  -0.641   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       2.519   0.144   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       1.712   0.315   0.000  1.00  0.00           C  
HETATM   40  S   UNL     1       3.571  -0.855   0.000  1.00  0.00           S  
HETATM   41  O   UNL     1       3.784  -0.058   0.000  1.00  0.00           O  
HETATM   42  O   UNL     1       4.368  -1.068   0.000  1.00  0.00           O  
HETATM   43  C   UNL     1       3.357  -1.651   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   24                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15   18                                            
CONECT   15   14   16   19                                            
CONECT   16   15   17   22                                            
CONECT   17   16   18                                                 
CONECT   18   17   14                                                 
CONECT   19   15   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   16   23                                            
CONECT   23   22   35   39                                            
CONECT   24    3   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31   34                                            
CONECT   31   30   26                                                 
CONECT   32   29   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   30                                                 
CONECT   35   23   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38   40                                            
CONECT   38   37   39                                                 
CONECT   39   38   23                                                 
CONECT   40   37   41   42   43                                       
CONECT   41   40                                                      
CONECT   42   40                                                      
CONECT   43   40                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
M  END

$$$$
D07KZR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.126   0.263   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.641  -0.405   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.144  -0.150   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.144   0.675   0.000  1.00  0.00           C  
HETATM    5  S   UNL     1      -0.641   0.930   0.000  1.00  0.00           S  
HETATM    6  C   UNL     1       0.788  -0.664   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.593  -0.481   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.950   0.263   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.593   1.006   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.788   1.189   0.000  1.00  0.00           C  
HETATM   11 BR   UNL     1      -1.950   0.263   0.000  1.00  0.00          Br  
HETATM   12 BR   UNL     1      -0.896  -1.189   0.000  1.00  0.00          Br  
CONECT    1    2    5   11                                            
CONECT    2    1    3   12                                            
CONECT    3    2    4    6                                            
CONECT    4    3    5   10                                            
CONECT    5    4    1                                                 
CONECT    6    3    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    1                                                      
CONECT   12    2                                                      
MASTER        0    0    0    0    0    0    0    0   12    0   12    0
END
M  END

$$$$
D07MIY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.134   0.908   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.134   0.084   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.848  -0.329   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       2.562   0.084   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.562   0.908   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.848   1.321   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.276  -0.329   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       3.991   0.084   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       4.705  -0.329   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       3.276  -1.154   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.419   1.321   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.295   0.908   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.010   1.321   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.724   0.908   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.724   0.083   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.010  -0.329   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.295   0.083   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.439   1.321   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.153   0.908   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.868   1.321   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.582   0.908   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.582   0.083   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.868  -0.329   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.153   0.083   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       4.791  -1.149   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       5.598  -1.321   0.000  1.00  0.00           O  
HETATM   27  N   UNL     1       6.011  -0.606   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       5.459   0.007   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.672   0.804   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.296  -0.329   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -5.709   0.385   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -6.011  -0.742   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -4.884  -1.044   0.000  1.00  0.00           F  
CONECT    1    2    6   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8   25   28                                            
CONECT   10    7                                                      
CONECT   11    1   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   14   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   30   21   23                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25    9   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27    9   29                                            
CONECT   29   28                                                      
CONECT   30   31   32   33   22                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D07MJJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  O   UNL     1      -1.854  -1.209   0.000  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.140  -0.797   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.426  -1.209   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.289  -0.797   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.289   0.028   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.426   0.441   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.140   0.028   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.003   0.441   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.718   0.028   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.432   0.441   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.432   1.266   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.718   1.678   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.003   1.266   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       3.217   0.186   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       3.702   0.853   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.217   1.521   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.426   1.266   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       3.629  -0.529   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.499   1.067   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.712   1.864   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       4.129   2.447   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       3.332   2.233   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.569  -0.797   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.283  -1.209   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.998  -0.797   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.712  -1.209   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.712  -2.034   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.998  -2.447   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.283  -2.034   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.546   1.864   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.371   1.864   0.000  1.00  0.00           C  
CONECT    1    2   23                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    7   17                                            
CONECT    7    6    2                                                 
CONECT    8    5    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15   18                                            
CONECT   15   14   16   19                                            
CONECT   16   15   11   22                                            
CONECT   17    6                                                      
CONECT   18   14                                                      
CONECT   19   15   20   31                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   30                                            
CONECT   22   21   16                                                 
CONECT   23    1   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   21   31                                                 
CONECT   31   30   19                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D07MNI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.784   1.218   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.784   0.393   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.498  -0.019   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.213   0.393   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.213   1.218   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.498   1.631   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.998   0.138   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       3.482   0.806   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       2.998   1.473   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       4.303   0.892   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       4.638   1.646   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       4.154   2.313   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.333   2.227   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.070  -0.019   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.645   0.393   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.359  -0.019   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.645   1.218   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1      -2.113   0.316   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.665  -0.297   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.253  -1.011   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.446  -0.840   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.490  -0.297   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.903  -1.011   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.490  -1.726   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.665  -1.726   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1      -3.903  -2.440   0.000  1.00  0.00           F  
HETATM   27  C   UNL     1      -2.285   1.123   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.069   1.378   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.241   2.185   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.025   2.440   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -4.638   1.888   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1      -4.467   1.081   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.682   0.826   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   14                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5   13                                            
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    9                                                 
CONECT   14    2   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   18   21                                            
CONECT   17   15                                                      
CONECT   18   16   19   27                                            
CONECT   19   18   20   22                                            
CONECT   20   19   21   25                                            
CONECT   21   20   16                                                 
CONECT   22   19   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   20                                                 
CONECT   26   24                                                      
CONECT   27   18   28                                                 
CONECT   28   27   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D07MQD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.859   0.260   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.859  -0.565   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.145  -0.977   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.430  -0.565   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.430   0.260   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.145   0.673   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.716   0.673   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.001   0.260   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.713   0.673   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.713   1.498   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.001   1.910   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.716   1.498   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.428   1.910   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.253   1.910   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.840   2.625   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.967   1.498   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.145  -1.802   0.000  1.00  0.00           C  
HETATM   18  F   UNL     1      -2.967  -1.802   0.000  1.00  0.00           F  
HETATM   19  F   UNL     1      -2.145  -2.625   0.000  1.00  0.00           F  
HETATM   20  F   UNL     1      -1.323  -1.802   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3   17    2    4                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15                                            
CONECT   14   13   15   16                                            
CONECT   15   14   13                                                 
CONECT   16   14                                                      
CONECT   17   18   19   20    3                                       
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20   17                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D07MRK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.392   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.392   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.678  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.037   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.037   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.678   1.444   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.751  -0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.751   1.444   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.107  -0.206   0.000  1.00  0.00           C  
HETATM   10  S   UNL     1      -2.821   0.206   0.000  1.00  0.00           S  
HETATM   11  C   UNL     1      -3.434  -0.346   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.099  -1.099   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.278  -1.013   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.241  -0.174   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.038   0.039   0.000  1.00  0.00           N  
HETATM   16  S   UNL     1       1.466   0.206   0.000  1.00  0.00           S  
HETATM   17  C   UNL     1       2.180  -0.206   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       0.882   0.790   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       2.049   0.790   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       2.180  -1.031   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.895  -1.444   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.609  -1.031   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.609  -0.206   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.895   0.206   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       4.324  -1.444   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       5.038  -1.031   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    4   16                                                 
CONECT    8    5                                                      
CONECT    9    2   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    9                                                 
CONECT   14   11   15                                                 
CONECT   15   14                                                      
CONECT   16    7   17   18   19                                       
CONECT   17   16   20   24                                            
CONECT   18   16                                                      
CONECT   19   16                                                      
CONECT   20   17   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   17                                                 
CONECT   25   22   26                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D07MSB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.418   1.872   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.418   1.047   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.133   0.635   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       2.847   1.047   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.847   1.872   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.133   2.285   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.133  -0.190   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.418  -0.603   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.418  -1.428   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.133  -1.840   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.847  -1.428   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.847  -0.603   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.704   0.635   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.011   1.047   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.725   0.635   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.011   1.872   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.479   0.970   0.000  1.00  0.00           C  
HETATM   18  S   UNL     1      -2.031   0.357   0.000  1.00  0.00           S  
HETATM   19  C   UNL     1      -1.618  -0.357   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.811  -0.186   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.954  -1.111   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.133   3.110   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.761  -1.282   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.847  -2.103   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1      -2.094  -2.438   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.542  -1.825   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.465  -2.325   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.720  -3.110   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       2.545  -3.110   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       2.800  -2.325   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   22                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   27   30                                       
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    2   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   17   20                                            
CONECT   16   14                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   15                                                 
CONECT   21   19   23   26                                            
CONECT   22    6                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   10   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   10                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END

$$$$

$$$$

$$$$
D07NAA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.884   0.768   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.598   1.181   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.169   1.181   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.169   2.006   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.884   2.418   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.598   2.006   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -1.455   0.768   0.000  1.00  0.00           S  
HETATM    8  O   UNL     1      -1.042   1.483   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1      -1.867   0.054   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1      -0.741   0.356   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.741  -0.469   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.026  -0.882   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.689  -0.469   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.689   0.356   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.026   0.768   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.403  -0.882   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.117  -0.469   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.403  -1.707   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.117  -2.119   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.117  -2.944   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.832  -3.357   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.546  -2.944   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.546  -2.119   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.832  -1.707   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.885   3.245   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1      -3.710   3.245   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1      -2.885   4.070   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -2.060   3.245   0.000  1.00  0.00           F  
HETATM   29  C   UNL     1      -3.957   0.564   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.672   0.151   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1      -3.243   0.151   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -2.528   0.564   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.259  -3.355   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1       3.847  -4.070   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1       3.545  -2.943   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1       4.672  -2.641   0.000  1.00  0.00           F  
CONECT    1    2    3                                                 
CONECT    2    1    6   29                                            
CONECT    3    1    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   25                                            
CONECT    6    5    2                                                 
CONECT    7    3    8    9   10                                       
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    7   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   33                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25    5   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
CONECT   29    2   30   31                                            
CONECT   30   29                                                      
CONECT   31   29   32                                                 
CONECT   32   31                                                      
CONECT   33   22   34   35   36                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D07NCJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  O   UNK     1      -3.572   0.000   0.000  1.00  0.00           O  
HETATM    2  C   UNK     1      -2.858   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNK     1      -2.143   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNK     1      -1.429   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNK     1      -0.714   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNK     1       0.000   0.412   0.000  1.00  0.00           C  
HETATM    7  N   UNK     1       0.714   0.000   0.000  1.00  0.00           N  
HETATM    8  N   UNK     1       1.429   0.412   0.000  1.00  0.00           N  
HETATM    9  C   UNK     1       2.143   0.000   0.000  1.00  0.00           C  
HETATM   10  C   UNK     1       2.143  -0.825   0.000  1.00  0.00           C  
HETATM   11  C   UNK     1       2.858  -1.238   0.000  1.00  0.00           C  
HETATM   12  C   UNK     1       3.572  -0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNK     1       3.572   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNK     1       2.858   0.412   0.000  1.00  0.00           C  
HETATM   15  O   UNK     1       2.858   1.238   0.000  1.00  0.00           O  
HETATM   16  O   UNK     1       0.000   1.238   0.000  1.00  0.00           O  
HETATM   17  O   UNK     1      -2.858   1.238   0.000  1.00  0.00           O  
HETATM   18  N   UNK     1      -2.143  -0.825   0.000  1.00  0.00           N  
CONECT    1    2                                                      
CONECT    2    1    3   17                                            
CONECT    3    2    4   18                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7   16                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9   15                                            
CONECT   15   14                                                      
CONECT   16    6                                                      
CONECT   17    2                                                      
CONECT   18    3                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END

$$$$

$$$$

$$$$
D07NFQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.992   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.992  -0.825   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.278  -1.238   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.437  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.437   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.278   0.412   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       1.222  -1.080   0.000  1.00  0.00           O  
HETATM    8  N   UNL     1       1.706  -0.412   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.222   0.255   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.278   1.238   0.000  1.00  0.00           C  
HETATM   11 CL   UNL     1      -1.706  -1.238   0.000  1.00  0.00          Cl  
HETATM   12  N   UNL     1       1.435   1.052   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   12                                            
CONECT   10    6                                                      
CONECT   11    2                                                      
CONECT   12    9                                                      
MASTER        0    0    0    0    0    0    0    0   12    0   12    0
END
M  END

$$$$
D07NKC
  -OEChem-09301911252D

 54 55  0     0  0  0  0  0  0999 V2000
    8.9282    7.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -5.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -4.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -3.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -4.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -4.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -5.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -6.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -7.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -7.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -7.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -7.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -6.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    5.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    5.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    6.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    7.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 22  2  0  0  0  0
  3 13  2  0  0  0  0
  4 24  2  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 13  1  0  0  0  0
  6 16  1  0  0  0  0
  6 44  1  0  0  0  0
  7 19  1  0  0  0  0
  7 22  1  0  0  0  0
  7 49  1  0  0  0  0
  8 22  1  0  0  0  0
  8 24  1  0  0  0  0
  8 50  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 12  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 45  1  0  0  0  0
 18 21  2  0  0  0  0
 18 46  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 47  1  0  0  0  0
 21 48  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 51  1  0  0  0  0
 26 28  2  0  0  0  0
 26 52  1  0  0  0  0
 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
 28 53  1  0  0  0  0
 29 54  1  0  0  0  0
M  END

$$$$
D07NRP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.486   0.321   0.000  1.00  0.00           N  
HETATM    2  N   UNL     1      -2.486  -0.504   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.772  -0.916   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.057  -0.504   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.057   0.321   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.772   0.734   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.444   0.873   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.780   1.627   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.600   1.541   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.772  -1.741   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.057  -2.154   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.343  -1.741   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.343  -0.916   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.152   2.154   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.363   0.702   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.618  -0.083   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.425  -0.254   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.977   0.359   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.722   1.143   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.915   1.315   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1       0.660   2.099   0.000  1.00  0.00           F  
HETATM   22  O   UNL     1       0.371  -2.154   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.086  -1.741   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       1.679  -1.039   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       2.486  -1.211   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   10                                            
CONECT    4    3    5   13                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1    9                                            
CONECT    7    5    8   15                                            
CONECT    8    7    9                                                 
CONECT    9    8    6   14                                            
CONECT   10    3   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   22                                            
CONECT   13   12    4                                                 
CONECT   14    9                                                      
CONECT   15    7   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   24                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
CONECT   22   12   23                                                 
CONECT   23   22                                                      
CONECT   24   17   25                                                 
CONECT   25   24                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D07NTP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.983  -0.157   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.983  -0.982   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.269  -1.395   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.554  -0.982   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.554  -0.157   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.269   0.255   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.840  -1.395   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.125  -0.982   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.125  -0.157   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.840   0.255   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.411   0.255   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.411   1.080   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.125   1.493   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.840   1.080   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.626   0.000   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.141   0.668   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.626   1.335   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -5.698  -1.395   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.840  -2.220   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.411  -1.395   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.125  -2.632   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.371   2.120   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.923   2.733   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.436   2.291   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.988   1.678   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.554   0.668   0.000  1.00  0.00           C  
HETATM   27  H   UNL     1      -3.554  -1.807   0.000  1.00  0.00           H  
HETATM   28  C   UNL     1      -1.325   1.901   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       1.795   1.850   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       2.592   1.636   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       2.805   0.839   0.000  1.00  0.00           N  
HETATM   32  O   UNL     1       3.175   2.220   0.000  1.00  0.00           O  
HETATM   33  S   UNL     1       4.048   0.839   0.000  1.00  0.00           S  
HETATM   34  C   UNL     1       4.460   0.125   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.048  -0.590   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.460  -1.304   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       5.285  -1.304   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       5.698  -0.590   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       5.285   0.125   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       4.048  -2.018   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       4.460  -2.733   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       5.285  -2.733   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       5.698  -2.018   0.000  1.00  0.00           C  
HETATM   44  O   UNL     1       4.048   1.664   0.000  1.00  0.00           O  
HETATM   45  O   UNL     1       4.845   1.053   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7   27                                       
CONECT    5    4    6   10   26                                       
CONECT    6    5    1                                                 
CONECT    7    4    8   19                                            
CONECT    8    7    9   20                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12   15                                            
CONECT   12   11   13   17   28                                       
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   22                                            
CONECT   18    2                                                      
CONECT   19    7   21                                                 
CONECT   20    8                                                      
CONECT   21   19                                                      
CONECT   22   17   23   24                                            
CONECT   23   22                                                      
CONECT   24   22   25                                                 
CONECT   25   24   29                                                 
CONECT   26    5                                                      
CONECT   27    4                                                      
CONECT   28   12                                                      
CONECT   29   25   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30   33                                                 
CONECT   32   30                                                      
CONECT   33   31   34   44   45                                       
CONECT   34   33   35   39                                            
CONECT   35   34   36                                                 
CONECT   36   35   37   40                                            
CONECT   37   36   38   43                                            
CONECT   38   37   39                                                 
CONECT   39   38   34                                                 
CONECT   40   36   41                                                 
CONECT   41   40   42                                                 
CONECT   42   41   43                                                 
CONECT   43   42   37                                                 
CONECT   44   33                                                      
CONECT   45   33                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
M  END

$$$$
D07OLQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.640   1.117   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.640   0.292   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.925  -0.120   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.211   0.292   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.211   1.117   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.925   1.530   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1      -2.754  -0.927   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.934  -1.013   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.598  -0.259   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.497   1.530   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.791  -0.088   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.015   0.084   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.822   0.255   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.374  -0.358   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.181  -0.186   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.436   0.598   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.884   1.211   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.077   1.040   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.733  -0.799   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       3.539  -0.628   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       4.123  -1.211   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       2.478  -1.584   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       4.336  -2.008   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.919  -1.425   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.306  -1.540   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.113  -1.368   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -4.367  -0.584   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -4.919  -1.197   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -4.696  -1.951   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1       2.097   2.008   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    3    8   25                                            
CONECT    8    7    9                                                 
CONECT    9    8    4   11                                            
CONECT   10    5                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   30                                            
CONECT   18   17   13                                                 
CONECT   19   15   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   23   24                                            
CONECT   22   19                                                      
CONECT   23   21   24                                                 
CONECT   24   23   21                                                 
CONECT   25    7   26                                                 
CONECT   26   25   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30   17                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D07OOA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.294  -0.370   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.294  -1.195   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.580  -1.607   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.865  -1.195   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.865  -0.370   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.580   0.043   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.080  -1.450   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -0.596  -0.782   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.080  -0.115   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.580   0.868   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.825   0.670   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.041   0.925   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.041   1.750   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -0.825   2.005   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.310   1.337   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.627   0.440   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.627   2.234   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.540  -0.381   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.208  -0.866   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.961  -0.530   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.048   0.290   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.380   0.775   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.825  -2.234   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.996   1.451   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.580   2.034   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.163   1.451   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.629  -1.015   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1       2.146  -1.680   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1       3.294  -1.498   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1       3.112  -0.350   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8   23                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   11                                            
CONECT   10    6   24   26                                            
CONECT   11    9   12   15                                            
CONECT   12   11   13   16                                            
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16   12   18   22                                            
CONECT   17   13                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   27   19   21                                            
CONECT   21   20   22                                                 
CONECT   22   21   16                                                 
CONECT   23    7                                                      
CONECT   24   10   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   10                                                 
CONECT   27   28   29   30   20                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D07OVM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.786   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.501   1.444   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.072  -0.206   0.000  1.00  0.00           N  
HETATM    8  S   UNL     1      -0.357   0.206   0.000  1.00  0.00           S  
HETATM    9  C   UNL     1      -0.357   1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.072   1.444   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.072   2.269   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       0.440   0.420   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.144  -0.591   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.072  -1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.357   1.444   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.072   1.031   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       0.357   2.269   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.786   1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.501   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.215   1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.215   2.269   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.501   2.681   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.786   2.269   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.501   0.206   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.786  -1.444   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.215  -1.444   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.215  -2.269   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.501  -2.681   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.786  -2.269   0.000  1.00  0.00           C  
HETATM   31 CL   UNL     1      -3.930  -2.681   0.000  1.00  0.00          Cl  
HETATM   32  C   UNL     1       3.215  -0.206   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.930   0.206   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.930   1.031   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   14                                            
CONECT    8    7    9   12   13                                       
CONECT    9    8   10   15                                            
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    8                                                      
CONECT   13    8                                                      
CONECT   14    7   25                                                 
CONECT   15    9   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   19   23                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21   34                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   19   32                                                 
CONECT   25   14   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   28                                                      
CONECT   32   24   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   20                                                 
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D07PDQ
  -OEChem-09301911282D

 80 84  0     0  0  0  0  0  0999 V2000
    7.3038    1.5855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5717   -2.4145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8397    7.5855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5717    6.5855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4672   -5.4090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4890   -5.6169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4378   -3.9145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3038   -2.4145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4378    5.0855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7057    5.0855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -4.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890   -4.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8900   -5.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0990   -3.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6582   -4.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5717   -4.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2103   -6.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0024   -7.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1614   -5.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4378   -2.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3038   -1.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1698   -0.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1698    0.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7456   -7.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9045   -6.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6966   -7.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3038    0.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4378   -0.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4378    0.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0637   -1.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0637    0.6202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4398   -8.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9698   -0.9353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9698    0.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4378    2.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4378    3.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5717    3.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3038    3.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5717    4.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3038    4.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7057    6.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8397    6.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9736    8.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648   -3.9252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -4.4770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9352   -5.1584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2734   -5.5761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8252   -6.2575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5066   -5.7057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7156   -3.7166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1639   -3.0352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4824   -3.5870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5293   -3.4013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9747   -4.2245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4128   -7.2479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2903   -5.1627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8407   -2.7245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167   -8.3319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4942   -6.2466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9008   -1.2245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9008    0.3955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0566   -2.0691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0566    1.2401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0249   -8.5463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9005   -8.5004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8546   -7.6248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5055   -1.2474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5055    0.4184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8272    2.1932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2257    1.5029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0348    3.2755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8407    3.2755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8407    4.8955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1688    4.7755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2291    6.6932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6276    6.0029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2836    8.6225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4367    8.3955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6636    7.5486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  1  0  0  0  0
  1 36  1  0  0  0  0
  2 21  2  0  0  0  0
  3 43  1  0  0  0  0
  3 44  1  0  0  0  0
  4 42  2  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 12  2  0  0  0  0
  7 17  1  0  0  0  0
  7 21  1  0  0  0  0
  7 55  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 58  1  0  0  0  0
  9 40  2  0  0  0  0
  9 41  1  0  0  0  0
 10 40  1  0  0  0  0
 10 42  1  0  0  0  0
 10 75  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 13 47  1  0  0  0  0
 14 48  1  0  0  0  0
 14 49  1  0  0  0  0
 14 50  1  0  0  0  0
 15 51  1  0  0  0  0
 15 52  1  0  0  0  0
 15 53  1  0  0  0  0
 16 17  2  0  0  0  0
 16 54  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 25  1  0  0  0  0
 19 56  1  0  0  0  0
 20 26  2  0  0  0  0
 20 57  1  0  0  0  0
 22 23  1  0  0  0  0
 22 29  2  0  0  0  0
 23 24  1  0  0  0  0
 23 31  2  0  0  0  0
 24 28  1  0  0  0  0
 24 32  2  0  0  0  0
 25 27  2  0  0  0  0
 25 59  1  0  0  0  0
 26 27  1  0  0  0  0
 26 60  1  0  0  0  0
 27 33  1  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
 29 61  1  0  0  0  0
 30 62  1  0  0  0  0
 31 34  1  0  0  0  0
 31 63  1  0  0  0  0
 32 35  1  0  0  0  0
 32 64  1  0  0  0  0
 33 65  1  0  0  0  0
 33 66  1  0  0  0  0
 33 67  1  0  0  0  0
 34 35  2  0  0  0  0
 34 68  1  0  0  0  0
 35 69  1  0  0  0  0
 36 37  1  0  0  0  0
 36 70  1  0  0  0  0
 36 71  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 38 40  1  0  0  0  0
 38 72  1  0  0  0  0
 39 41  2  0  0  0  0
 39 73  1  0  0  0  0
 41 74  1  0  0  0  0
 42 43  1  0  0  0  0
 43 76  1  0  0  0  0
 43 77  1  0  0  0  0
 44 78  1  0  0  0  0
 44 79  1  0  0  0  0
 44 80  1  0  0  0  0
M  END

$$$$
D07PIH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.743   2.199   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.743   1.374   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.028   0.962   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.313   1.374   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.313   2.199   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.028   2.612   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.599   0.962   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.513   0.141   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.706  -0.030   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.293   0.684   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.845   1.298   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -4.457   2.612   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1      -2.126  -0.411   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.910  -0.156   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.524  -0.708   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.352  -1.515   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.567  -1.770   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.954  -1.218   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -1.170  -1.472   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1      -0.674   2.104   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.527   0.771   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.012   0.103   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1       0.863   1.524   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       0.676  -0.650   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.161  -1.318   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.982  -1.232   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.317  -0.478   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.833   0.189   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.768  -2.029   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.807  -1.232   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.219  -1.946   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.044  -1.946   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.457  -1.232   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.044  -0.517   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.219  -0.517   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1       2.352  -2.612   0.000  1.00  0.00           N  
HETATM   37  O   UNL     1       0.972  -2.242   0.000  1.00  0.00           O  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   21                                            
CONECT   11   10    7   20                                            
CONECT   12    1                                                      
CONECT   13    8   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13   19                                            
CONECT   19   18                                                      
CONECT   20   11                                                      
CONECT   21   10   22   23                                            
CONECT   22   21   24   28                                            
CONECT   23   21                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29   30                                       
CONECT   27   26   28                                                 
CONECT   28   27   22                                                 
CONECT   29   26   36   37                                            
CONECT   30   26   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
CONECT   36   29                                                      
CONECT   37   29                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D07PKU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.252  -2.220   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.427  -2.220   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.014  -1.505   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.427  -0.791   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.252  -0.791   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.664  -1.505   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.489  -1.505   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.569  -0.922   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       0.569  -2.089   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.394  -0.922   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.649  -0.137   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.982   0.348   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.314  -0.137   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.403   0.198   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.489   1.019   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.822   1.504   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.068   1.168   0.000  1.00  0.00           C  
HETATM   18  S   UNL     1      -0.483   0.076   0.000  1.00  0.00           S  
HETATM   19  C   UNL     1      -0.895   0.791   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       0.101   0.660   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.280  -0.137   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.483   1.505   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.895   2.220   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.720   2.220   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.133   1.505   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.720   0.791   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    8    9                                       
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    3   10   13                                            
CONECT    9    3                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13   17                                            
CONECT   13   12    8   18                                            
CONECT   14   11   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   13   19   20   21                                       
CONECT   19   18   22   26                                            
CONECT   20   18                                                      
CONECT   21   18                                                      
CONECT   22   19   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   19                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D07PLJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.745  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.745  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.030  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.316  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.316  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.030   0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.398  -1.444   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.113  -1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.113  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.398   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.459   0.206   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.827  -1.444   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.542  -1.031   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       2.542  -0.206   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.827   0.206   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.155   0.346   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       2.819   1.099   0.000  1.00  0.00           N  
HETATM   18  N   UNL     1       1.999   1.013   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.827  -2.269   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.542  -2.681   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.399   1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.113   1.444   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.113   2.269   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.399   2.681   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.316   2.269   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.316   1.444   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.256  -1.444   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1      -2.459   1.031   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -3.174  -0.206   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -3.256   0.420   0.000  1.00  0.00           F  
CONECT    1    2    6   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10   15                                            
CONECT   10    9    5   21                                            
CONECT   11    1   28   29   30                                       
CONECT   12    8   13   19                                            
CONECT   13   12   27                                                 
CONECT   14   15   16                                                 
CONECT   15   14    9   18                                            
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   15                                                 
CONECT   19   12   20                                                 
CONECT   20   19                                                      
CONECT   21   10   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   13                                                      
CONECT   28   11                                                      
CONECT   29   11                                                      
CONECT   30   11                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D07PND
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.602   1.778   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.602   0.953   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.888   0.541   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.173   0.953   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.173   1.778   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.888   2.191   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.459   0.541   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.372  -0.280   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.565  -0.451   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.153   0.263   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.705   0.876   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.986  -0.832   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.770  -0.577   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.383  -1.129   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.212  -1.936   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.427  -2.191   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.814  -1.639   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -5.316   2.191   0.000  1.00  0.00          Cl  
HETATM   19  C   UNL     1      -0.346   0.435   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.091   1.219   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.643   1.833   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.450   1.661   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1       0.206  -0.178   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.031  -0.178   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.615   0.405   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.411   0.192   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.995   0.775   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.781   1.572   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.984   1.785   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.401   1.202   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.365   2.155   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       4.189   2.155   0.000  1.00  0.00           N  
HETATM   33  S   UNL     1       4.602   1.441   0.000  1.00  0.00           S  
HETATM   34  O   UNL     1       4.019   0.857   0.000  1.00  0.00           O  
HETATM   35  O   UNL     1       5.014   0.726   0.000  1.00  0.00           O  
HETATM   36  N   UNL     1       5.316   1.853   0.000  1.00  0.00           N  
HETATM   37 CL   UNL     1      -2.029  -1.894   0.000  1.00  0.00          Cl  
CONECT    1    2    6   18                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   19                                            
CONECT   11   10    7   22                                            
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   37                                            
CONECT   18    1                                                      
CONECT   19   10   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   11                                                 
CONECT   23   19   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   28   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   35   36                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
CONECT   37   17                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D07PNX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.644  -0.412   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.930   0.000   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.215  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501   0.000   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.786  -0.412   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.072   0.000   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.357  -0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.357   0.000   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.072  -0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.786   0.000   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.501  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.215   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.930  -0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.644   0.000   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       5.359  -0.412   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.930   0.825   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.072   0.825   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       4.644   0.825   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.215   1.238   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.644   1.238   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.644  -1.238   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.359   0.000   0.000  1.00  0.00           C  
CONECT    1    2   21   22                                            
CONECT    2    1    3   16                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7   17                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14                                                      
CONECT   16    2   19   20                                            
CONECT   17    6                                                      
CONECT   18   14                                                      
CONECT   19   16                                                      
CONECT   20   16                                                      
CONECT   21    1                                                      
CONECT   22    1                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D07PSJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   0.412   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.786   1.238   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.357   0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.357  -1.238   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.215  -1.238   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.357   0.000   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.072   0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.786   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.501   0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.215   0.000   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    5   11                                                 
CONECT    9    4                                                      
CONECT   10    2                                                      
CONECT   11    8   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14                                                      
MASTER        0    0    0    0    0    0    0    0   15    0   15    0
END
M  END

$$$$
D07PTU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.992   0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.992  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.278  -0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.437  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.437   0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.278   1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.706   1.031   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.421   0.619   0.000  1.00  0.00           N  
HETATM    9  S   UNL     1      -3.135   1.031   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1      -3.850   0.619   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.564   1.031   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.850   1.444   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -3.135   1.856   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.278  -1.444   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.437  -1.856   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.151  -0.619   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.866  -0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.580  -0.619   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.295  -0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.295   0.619   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.580   1.031   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.866   0.619   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1       4.079  -0.461   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       4.564   0.206   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       4.079   0.874   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       4.334  -1.246   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   14                                            
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   12   13                                       
CONECT   10    9   11                                                 
CONECT   11   10                                                      
CONECT   12    9                                                      
CONECT   13    9                                                      
CONECT   14    3   15                                                 
CONECT   15   14                                                      
CONECT   16    4   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   19   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D07QBF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.726  -4.510   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.726  -5.335   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.011  -5.747   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.703  -5.335   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.703  -4.510   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.011  -4.097   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.440  -4.097   0.000  1.00  0.00           C  
HETATM    8 CL   UNL     1       1.418  -4.097   0.000  1.00  0.00          Cl  
HETATM    9  N   UNL     1      -0.011  -3.272   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.726  -2.860   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.440  -3.272   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.726  -2.035   0.000  1.00  0.00           C  
HETATM   13  S   UNL     1      -0.058  -1.550   0.000  1.00  0.00           S  
HETATM   14  C   UNL     1      -0.313  -0.765   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.138  -0.765   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.393  -1.550   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.100  -0.051   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.313   0.664   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.100   1.378   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.313   2.093   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.138   2.093   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.550   1.378   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.138   0.664   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.376   1.378   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       0.100   2.807   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       0.924   2.807   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.337   3.522   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       0.924   4.236   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       0.100   4.236   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.313   3.522   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.138   5.033   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.963   5.033   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       2.376   5.747   0.000  1.00  0.00           O  
HETATM   34 XX   UNL     2      -0.968   2.115   0.000  1.00  0.00          Xx  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1    9                                            
CONECT    7    1                                                      
CONECT    8    5                                                      
CONECT    9    6   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   12                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   18                                                 
CONECT   24   22                                                      
CONECT   25   20   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   28   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D07QBL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.001   1.629   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.001   0.804   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.287   0.391   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.573   0.804   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.573   1.629   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.287   2.041   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.716   0.391   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.142   0.391   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.142  -0.434   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.857  -0.846   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.571  -0.434   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.571   0.391   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.857   0.804   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       2.356  -0.689   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       2.841  -0.021   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.356   0.646   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.666  -0.021   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       4.078  -0.736   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       3.742  -1.489   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.356  -2.041   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       5.070  -1.629   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.899  -0.822   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       5.450  -0.209   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       5.196   0.576   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.430   0.804   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.145   0.391   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.899   0.727   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.450   0.114   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.038  -0.601   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.231  -0.429   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2   25                                                 
CONECT    8    4    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13   16                                            
CONECT   13   12    8                                                 
CONECT   14   11   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   12                                                 
CONECT   17   15   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   18   23                                            
CONECT   23   22   24                                                 
CONECT   24   23                                                      
CONECT   25    7   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   26                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D07QIP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.132  -1.345   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.132  -2.170   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.417  -2.583   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.703  -2.170   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.703  -1.345   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.417  -0.933   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.012  -2.583   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.726  -2.170   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.440  -2.583   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.155  -2.170   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.155  -1.345   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.440  -0.933   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.726  -1.345   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.417  -0.108   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1      -0.750   0.377   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1      -1.005   1.162   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.830   1.162   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.085   0.377   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.869   0.122   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.520   1.829   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.856   2.583   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       2.869  -2.583   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.848  -0.933   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.023  -0.933   0.000  1.00  0.00           N  
CONECT    1    2    6   23                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   14                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   22                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    6   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   14   19                                            
CONECT   19   18                                                      
CONECT   20   16   21                                                 
CONECT   21   20                                                      
CONECT   22   10                                                      
CONECT   23    1   24                                                 
CONECT   24   23                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D07QIZ
  -OEChem-09301911262D

 54 57  0     1  0  0  0  0  0999 V2000
    3.5443   -2.1354    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.8141    2.8811    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.4610    1.6235    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.5565    2.2342    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2900   -2.8016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7985   -1.4691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6060    0.7649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9160   -0.8136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9434   -0.3990    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.4160    0.7252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2260    0.7649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5927   -0.9279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2404    0.3697    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2250    0.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5384    1.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6010   -1.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6215   -1.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9160   -0.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6070    0.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8607    2.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5141    1.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9207   -0.1873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2310   -1.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5916    0.3697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2105   -1.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8886   -0.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9113   -0.1873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2034    0.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8780   -2.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5700   -0.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8754    0.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5087    1.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8456    0.5044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9335    1.1884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0710   -1.9201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8273   -2.1756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6399   -2.0094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2352   -1.4775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167    2.4798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4406    2.5155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4048    1.6394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500    0.9385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1190    1.6794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3782    2.1484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4294   -2.1858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4068    0.9615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2970   -0.2712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8873   -0.8069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4156   -2.4680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4649   -3.3434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3403   -3.2942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9867   -1.1753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4813    0.3673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1 25  1  0  0  0  0
  1 29  1  0  0  0  0
  2 32  1  0  0  0  0
  3 32  1  0  0  0  0
  4 32  1  0  0  0  0
  7 27  1  0  0  0  0
  7 54  1  0  0  0  0
  8 14  1  0  0  0  0
  8 16  1  0  0  0  0
  8 18  1  0  0  0  0
  9 13  1  0  0  0  0
  9 17  1  0  0  0  0
  9 22  1  0  0  0  0
 10 14  2  0  0  0  0
 10 19  1  0  0  0  0
 11 22  1  0  0  0  0
 11 28  2  0  0  0  0
 12 22  2  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  6  0  0  0
 13 33  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 23 25  2  0  0  0  0
 23 45  1  0  0  0  0
 24 26  2  0  0  0  0
 24 46  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 28 31  1  0  0  0  0
 28 32  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
 29 51  1  0  0  0  0
 30 31  2  0  0  0  0
 30 52  1  0  0  0  0
 31 53  1  0  0  0  0
M  END

$$$$
D07QKP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -4.949  -2.489   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.536  -3.203   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.712  -3.203   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.299  -2.489   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.712  -1.774   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.536  -1.774   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.474  -2.489   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.990  -3.156   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.205  -2.901   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.205  -2.076   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.990  -1.821   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.491  -3.313   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.223  -2.901   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.223  -2.076   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.491  -1.664   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.491  -0.839   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.244  -3.940   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.299  -1.060   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.887  -0.346   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.474   0.369   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.650   0.369   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.237   1.083   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.650   1.797   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.474   1.797   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.887   1.083   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.412   1.083   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       0.825   1.797   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.237   1.083   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.062   1.083   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.474   1.797   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.062   2.512   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.237   2.512   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.299   1.797   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       3.712   1.083   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       3.299   0.369   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.712  -0.346   0.000  1.00  0.00           C  
HETATM   37  N   UNL     1       4.536  -0.346   0.000  1.00  0.00           N  
HETATM   38  C   UNL     1       4.949   0.369   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       4.536   1.083   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       4.949  -1.060   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       4.536  -1.774   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       2.474   3.226   0.000  1.00  0.00           C  
HETATM   43  F   UNL     1       2.887   3.940   0.000  1.00  0.00           F  
HETATM   44  F   UNL     1       2.062   3.940   0.000  1.00  0.00           F  
HETATM   45  F   UNL     1       3.299   3.226   0.000  1.00  0.00           F  
HETATM   46  N   UNL     1      -4.949  -3.917   0.000  1.00  0.00           N  
HETATM   47  C   UNL     1       0.000   1.797   0.000  1.00  0.00           C  
HETATM   48  O   UNL     1      -0.412   2.512   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   46                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   18                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   17                                            
CONECT    9    8   10   12                                            
CONECT   10    9   11   15                                            
CONECT   11   10    7                                                 
CONECT   12    9   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10   16                                            
CONECT   16   15                                                      
CONECT   17    8                                                      
CONECT   18    5   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   22   47                                                 
CONECT   27   28   32   47                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32   42                                            
CONECT   32   31   27                                                 
CONECT   33   30   34                                                 
CONECT   34   33   35   39                                            
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38   40                                            
CONECT   38   37   39                                                 
CONECT   39   38   34                                                 
CONECT   40   37   41                                                 
CONECT   41   40                                                      
CONECT   42   31   43   44   45                                       
CONECT   43   42                                                      
CONECT   44   42                                                      
CONECT   45   42                                                      
CONECT   46    2                                                      
CONECT   47   26   48   27                                            
CONECT   48   47                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
M  END

$$$$
D07QLD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.556   1.740   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.556   0.915   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.842   0.503   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.127   0.915   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.127   1.740   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.842   2.153   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.413   0.503   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.326  -0.318   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -1.520  -0.489   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.107   0.225   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.659   0.838   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.940  -0.870   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.724  -0.615   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.337  -1.167   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.166  -1.974   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.381  -2.229   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.768  -1.677   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.286   0.311   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       0.198  -0.356   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       0.049   1.065   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1       0.870   1.151   0.000  1.00  0.00           N  
HETATM   22 CL   UNL     1      -5.271   2.153   0.000  1.00  0.00          Cl  
HETATM   23 CL   UNL     1      -1.983  -1.932   0.000  1.00  0.00          Cl  
HETATM   24  O   UNL     1      -1.488   1.645   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.071   2.229   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.354   0.484   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.175   0.570   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       2.510   1.324   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       2.026   1.991   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.205   1.905   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.331   1.410   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.816   0.743   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       3.667   2.164   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1       3.480  -0.011   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.965  -0.678   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.786  -0.592   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       5.121   0.162   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       4.636   0.829   0.000  1.00  0.00           C  
HETATM   39  F   UNL     1       2.660  -0.097   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1       5.271  -1.260   0.000  1.00  0.00           F  
CONECT    1    2    6   22                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   18                                            
CONECT   11   10    7   24                                            
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   23                                            
CONECT   18   10   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   21                                                 
CONECT   21   20   26   30                                            
CONECT   22    1                                                      
CONECT   23   17                                                      
CONECT   24   11   25                                                 
CONECT   25   24                                                      
CONECT   26   21   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   21                                                 
CONECT   31   28   32   33                                            
CONECT   32   31   34   38                                            
CONECT   33   31                                                      
CONECT   34   32   35   39                                            
CONECT   35   34   36                                                 
CONECT   36   35   37   40                                            
CONECT   37   36   38                                                 
CONECT   38   37   32                                                 
CONECT   39   34                                                      
CONECT   40   36                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D07QYV
  -OEChem-09301911182D

 55 58  0     1  0  0  0  0  0999 V2000
    2.7457   -1.7246    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1155   -1.7866    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029   -1.7180    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1840   -0.3740    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4914   -2.3909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7262    0.1179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1448    0.0117    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.1175   -0.4029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6175    1.1360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.5171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4275    1.1757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4419    0.7804    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7399    1.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4265    0.5482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8229   -0.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8024   -1.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1175   -0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8084    0.5482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0622    2.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7156    1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1222    0.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4325   -1.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7930    0.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4120   -0.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0901    0.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7715   -0.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4048    1.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0768    0.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0795   -2.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4435   -1.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0542    0.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3595    1.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0471    0.9152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1350    1.5991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8414   -1.5986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4367   -1.0668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2725   -1.5094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0288   -1.7648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5181    2.8905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6420    2.9263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6063    2.0502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8515    1.3493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3205    2.0901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5797    2.5591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6309   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6083    1.3723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4842    0.1430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5942    1.9777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6171   -2.0573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6664   -2.9327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5418   -2.8834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9499    1.6214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5488    2.4011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7691    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1 25  1  0  0  0  0
  1 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3 31  1  0  0  0  0
  4 31  1  0  0  0  0
  7 32  2  0  0  0  0
  8 13  1  0  0  0  0
  8 16  1  0  0  0  0
  8 22  1  0  0  0  0
  9 15  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 15  2  0  0  0  0
 10 19  1  0  0  0  0
 11 22  1  0  0  0  0
 11 27  2  0  0  0  0
 12 22  2  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 34  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
 14 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 23 25  2  0  0  0  0
 23 46  1  0  0  0  0
 24 26  2  0  0  0  0
 24 47  1  0  0  0  0
 25 26  1  0  0  0  0
 26 48  1  0  0  0  0
 27 29  1  0  0  0  0
 27 31  1  0  0  0  0
 28 29  2  0  0  0  0
 28 49  1  0  0  0  0
 29 32  1  0  0  0  0
 30 50  1  0  0  0  0
 30 51  1  0  0  0  0
 30 52  1  0  0  0  0
 32 33  1  0  0  0  0
 33 53  1  0  0  0  0
 33 54  1  0  0  0  0
 33 55  1  0  0  0  0
M  END

$$$$
D07RIZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.134  -1.567   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.134  -2.389   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.422  -2.800   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.710  -2.389   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.710  -1.567   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.422  -1.155   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.998  -1.155   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.286  -1.567   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.574  -1.155   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.862  -1.567   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.150  -1.155   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.150  -0.333   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.862   0.078   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.574  -0.333   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.998  -0.331   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       0.562   0.078   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.313  -0.257   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.863   0.354   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.452   1.066   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1       0.648   0.895   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.681   0.268   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.037   1.446   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.015  -0.483   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.833  -0.569   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.316   0.097   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.982   0.848   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.164   0.933   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       0.208   2.250   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.403   2.800   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.185   2.546   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.356   1.742   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1      -0.745   1.191   0.000  1.00  0.00           N  
HETATM   33 CL   UNL     1       5.134   0.011   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   15                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    7                                                      
CONECT   16   12   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   16   22                                            
CONECT   21   18   23   27                                            
CONECT   22   20   28   32                                            
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   33                                            
CONECT   26   25   27                                                 
CONECT   27   26   21                                                 
CONECT   28   22   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   22                                                 
CONECT   33   25                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D07RJD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.072   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.072  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.357  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.357  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.357   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.357   0.412   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.357   1.238   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       1.072   0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.072  -1.238   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.786  -1.238   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.786   0.000   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.072   1.238   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    5   11   12                                            
CONECT    9    4                                                      
CONECT   10    2                                                      
CONECT   11    8                                                      
CONECT   12    8                                                      
MASTER        0    0    0    0    0    0    0    0   12    0   12    0
END
M  END

$$$$
D07RLB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.537   1.617   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.822   2.030   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.108   1.617   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.108   0.792   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.393   0.380   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.321   0.792   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.321   1.617   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.393   2.030   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       1.036   0.380   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.750   0.792   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.465   0.380   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.465  -0.445   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.179  -0.858   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.894  -0.445   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.894   0.380   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.179   0.792   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       4.608  -0.858   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       5.322  -0.445   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.393  -0.445   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       0.321  -0.858   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.251   2.030   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.864   1.478   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.529   0.724   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.708   0.810   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.251   2.855   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.864  -0.029   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.379  -0.697   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.559  -0.611   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -2.223   0.143   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -3.715  -1.450   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.522  -1.622   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1      -4.608  -2.442   0.000  1.00  0.00           N  
HETATM   33  N   UNL     1      -3.854  -2.778   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1      -3.302  -2.165   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.322  -2.855   0.000  1.00  0.00           C  
CONECT    1    2   21   24                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   19                                            
CONECT    6    5    7    9                                            
CONECT    7    6    8                                                 
CONECT    8    7    3                                                 
CONECT    9    6   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   14   18                                                 
CONECT   18   17                                                      
CONECT   19    5   20                                                 
CONECT   20   19                                                      
CONECT   21    1   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23    1   29                                            
CONECT   25   21                                                      
CONECT   26   23   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27   31   34                                            
CONECT   31   30   32                                                 
CONECT   32   31   33   35                                            
CONECT   33   32   34                                                 
CONECT   34   33   30                                                 
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D07RRL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.714  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.714  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.000  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.714  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.714  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.429  -0.412   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       0.714   0.825   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       0.000   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.714   0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.000   1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.714   1.650   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.429   2.062   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.143   1.650   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.143   0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.429   0.412   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.143   0.825   0.000  1.00  0.00           N  
HETATM   19 CL   UNL     1      -1.429  -2.062   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3   19                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   10                                            
CONECT    7    5    8                                                 
CONECT    8    7    9   18                                            
CONECT    9    8   10                                                 
CONECT   10    9    6   11   12                                       
CONECT   11   10   13   17                                            
CONECT   12   10                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   11                                                 
CONECT   18    8                                                      
CONECT   19    2                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D07RRV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858  -0.468   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858  -1.293   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -1.705   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429  -1.293   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429  -0.468   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143  -0.055   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.572  -1.705   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -4.287  -2.118   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.715  -0.055   0.000  1.00  0.00           C  
HETATM   10  S   UNL     1      -0.715  -1.705   0.000  1.00  0.00           S  
HETATM   11  C   UNL     1       0.000  -2.118   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.127  -2.420   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.302  -0.991   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1       0.000  -0.468   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.715  -0.055   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.715   0.770   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.000   1.182   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.715   0.770   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.429   1.182   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.000   2.007   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.143   1.595   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       0.000  -1.293   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.429  -0.468   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       1.429   1.182   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.143   0.770   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.858   1.182   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.858   2.007   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.143   2.420   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.429   2.007   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.572   0.770   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       3.572  -0.055   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       4.287   1.182   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       4.287   0.357   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7                                                      
CONECT    9    5   14   18                                            
CONECT   10    4   11   12   13                                       
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13   10                                                      
CONECT   14    9   15   22                                            
CONECT   15   14   16   23                                            
CONECT   16   15   17   24                                            
CONECT   17   16   18   20                                            
CONECT   18   17    9   19                                            
CONECT   19   18   21                                                 
CONECT   20   17                                                      
CONECT   21   19                                                      
CONECT   22   14                                                      
CONECT   23   15                                                      
CONECT   24   16   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   26   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END

$$$$

$$$$

$$$$
D07RUH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215   0.206   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.644   0.206   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1      -4.644  -1.444   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.072  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.357   0.206   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.357   1.031   0.000  1.00  0.00           O  
HETATM   13  N   UNL     1       0.357  -0.206   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.072   0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.501   0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.215  -0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.930   0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.930   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.215   1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.501   1.031   0.000  1.00  0.00           C  
HETATM   22 BR   UNL     1       4.644   1.444   0.000  1.00  0.00          Br  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    2                                                      
CONECT    9    5   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   19                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D07RWQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.294   0.584   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.119   0.584   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.531   1.299   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.119   2.013   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.294   2.013   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.881   1.299   0.000  1.00  0.00           C  
HETATM    7 BR   UNL     1       3.357   1.299   0.000  1.00  0.00          Br  
HETATM    8  C   UNL     1       0.057   1.299   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.428   1.966   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.213   1.711   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.213   0.886   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.428   0.631   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.927   2.124   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.642   1.711   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.642   0.886   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.927   0.474   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.927   2.949   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.357   0.474   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.173  -0.153   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.726  -0.766   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.471  -1.551   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1      -1.532  -0.595   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.023  -2.164   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.336  -1.723   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.768  -2.949   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.591  -2.507   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    3                                                      
CONECT    8    6    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12   16                                            
CONECT   12   11    8   19                                            
CONECT   13   10   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   11                                                 
CONECT   17   13                                                      
CONECT   18   15                                                      
CONECT   19   12   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   23   24                                            
CONECT   22   20                                                      
CONECT   23   21   25                                                 
CONECT   24   21   26                                                 
CONECT   25   23                                                      
CONECT   26   24                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D07RYM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.487   1.622   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.487   0.797   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.201   0.385   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       2.916   0.797   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.916   1.622   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.201   2.034   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.772   0.385   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.058   0.797   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.657   0.385   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       0.058   1.622   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1      -1.410   0.720   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.962   0.107   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.550  -0.608   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.743  -0.436   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.787   0.107   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.200  -0.608   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.787  -1.322   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.962  -1.322   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.200  -2.037   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.582   1.527   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.379   1.740   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.592   2.537   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.389   2.751   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.973   2.168   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.759   1.371   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.962   1.157   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -4.342   0.787   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -4.025  -2.037   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -2.787  -2.751   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -3.612  -2.751   0.000  1.00  0.00           F  
HETATM   31  N   UNL     1       3.628   2.034   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       4.342   1.622   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   31                                            
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8   11   14                                            
CONECT   10    8                                                      
CONECT   11    9   12   20                                            
CONECT   12   11   13   15                                            
CONECT   13   12   14   18                                            
CONECT   14   13    9                                                 
CONECT   15   12   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   13                                                 
CONECT   19   17   28   29   30                                       
CONECT   20   11   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   21                                                 
CONECT   27   25                                                      
CONECT   28   19                                                      
CONECT   29   19                                                      
CONECT   30   19                                                      
CONECT   31    5   32                                                 
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D07SHE
  -OEChem-09301911202D

 47 51  0     0  0  0  0  0  0999 V2000
    8.8310    1.6222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4953    3.1108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1882   -0.0727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5453   -1.7675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1289   -2.5722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.0722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1416    2.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8525    1.4159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4738    3.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1846    2.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4988    0.8779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4773    1.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8560   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1452    0.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8345   -0.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -3.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5453   -3.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6886    2.2806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5242    3.0606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3261    1.0883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0837    0.8407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0002    3.6446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2425    3.8922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6377    2.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8021    1.6723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0812    3.5722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6699    1.6734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2486   -1.0722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7518    0.4676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.9522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7379   -3.9663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -4.1922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -0.2622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 38  1  0  0  0  0
  3 13  1  0  0  0  0
  3 15  2  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5 21  2  0  0  0  0
  6 22  2  0  0  0  0
  6 23  1  0  0  0  0
  7 24  2  0  0  0  0
  7 26  1  0  0  0  0
  8 25  2  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 12  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  2  0  0  0  0
 14 17  1  0  0  0  0
 14 39  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 18  2  0  0  0  0
 17 41  1  0  0  0  0
 18 40  1  0  0  0  0
 19 21  1  0  0  0  0
 19 23  2  0  0  0  0
 20 22  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 24  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  1  0  0  0  0
 25 45  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 46  1  0  0  0  0
 28 29  3  0  0  0  0
 29 47  1  0  0  0  0
M  END

$$$$
D07SSO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.740   0.901   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.740   0.076   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.565   0.076   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.565   0.901   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.156   1.484   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.148   1.484   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.148  -0.507   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.156  -0.507   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.370   2.281   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.214   2.865   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.010   2.651   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.224   1.854   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.641   1.271   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       2.942   1.271   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1       1.935   2.278   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       0.156  -1.333   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1      -0.641  -0.721   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.053  -1.435   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.878  -1.435   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.291  -2.150   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.878  -2.865   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.053  -2.865   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.641  -2.150   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.291  -0.721   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.116  -0.721   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.528  -1.435   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.116  -2.150   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.934  -1.304   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.518  -1.888   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.315  -1.674   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.528  -0.877   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.945  -0.294   0.000  1.00  0.00           C  
CONECT    1    2    4    5                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4    7                                            
CONECT    4    3    1    6                                            
CONECT    5    1    9   13                                            
CONECT    6    4   14   15                                            
CONECT    7    3   28   32                                            
CONECT    8    2   16   17                                            
CONECT    9    5   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    5                                                 
CONECT   14    6                                                      
CONECT   15    6                                                      
CONECT   16    8                                                      
CONECT   17    8   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21   27                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   19   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   20                                                 
CONECT   28    7   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31    7                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D07SSU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.950  -3.215   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.537  -2.501   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.712  -2.501   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.300  -1.786   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.475  -1.786   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.062  -1.072   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.238  -1.072   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.825  -1.786   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.000  -1.786   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.412  -2.501   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.238  -2.501   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.650  -3.215   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.475  -3.215   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.825  -0.357   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1      -2.475  -0.357   0.000  1.00  0.00           N  
HETATM   16  S   UNL     1      -2.062   0.357   0.000  1.00  0.00           S  
HETATM   17  C   UNL     1      -1.650   1.072   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.825   1.072   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.412   1.786   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.825   2.501   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.650   2.501   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.062   1.786   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.348  -0.055   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1      -2.777   0.770   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.412   3.215   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.712  -1.072   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.362  -2.501   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.950  -1.786   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.412  -1.072   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       1.650  -1.786   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       2.888  -2.501   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.712  -2.501   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.125  -1.786   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.712  -1.072   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.888  -1.072   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.475  -1.786   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.125  -3.215   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       4.950  -3.215   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       5.362  -2.501   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       4.950  -1.786   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1    3   27   28                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   26                                            
CONECT    5    4    6                                                 
CONECT    6    5    7   15                                            
CONECT    7    6    8   14                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   29                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   30                                            
CONECT   12   11   13                                                 
CONECT   13   12   31                                                 
CONECT   14    7                                                      
CONECT   15    6   16                                                 
CONECT   16   15   17   23   24                                       
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   16                                                      
CONECT   24   16                                                      
CONECT   25   20                                                      
CONECT   26    4                                                      
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    9                                                      
CONECT   30   11                                                      
CONECT   31   13   32   36                                            
CONECT   32   31   33   37                                            
CONECT   33   32   34   40                                            
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
CONECT   37   32   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   33                                                 
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D07SYY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.532   0.679   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.532  -0.146   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.817  -0.558   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.103  -0.146   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.103   0.679   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.817   1.092   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.246   1.092   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.246  -0.558   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.246   1.917   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.961   2.329   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.675   1.917   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.675   1.092   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.961   0.679   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.961  -0.146   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.675  -0.558   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.675  -1.383   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.961  -1.796   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.246  -1.383   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -4.390   2.329   0.000  1.00  0.00          Cl  
HETATM   20 CL   UNL     1      -1.532  -1.796   0.000  1.00  0.00          Cl  
HETATM   21  C   UNL     1       0.510   1.231   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.175   1.985   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.646   1.899   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.317   1.060   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       1.869   1.673   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1       1.572   0.275   0.000  1.00  0.00           N  
HETATM   27  N   UNL     1       2.369   0.061   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       2.583  -0.735   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.952   0.645   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.999  -1.319   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.213  -2.116   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.010  -2.329   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.593  -1.746   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.379  -0.949   0.000  1.00  0.00           C  
HETATM   35 CL   UNL     1       4.390  -1.959   0.000  1.00  0.00          Cl  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   21                                            
CONECT    6    5    1   23                                            
CONECT    7    9   13    1                                            
CONECT    8    2   14   18                                            
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   19                                            
CONECT   12   11   13                                                 
CONECT   13   12    7                                                 
CONECT   14    8   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17    8   20                                            
CONECT   19   11                                                      
CONECT   20   18                                                      
CONECT   21    5   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22    6                                                 
CONECT   24   21   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   30   34                                            
CONECT   29   27                                                      
CONECT   30   28   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   35                                            
CONECT   34   33   28                                                 
CONECT   35   33                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D07TEZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.229   1.072   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.229   0.247   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.515  -0.166   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.801   0.247   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.801   1.072   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.515   1.484   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.016  -0.008   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.469   0.659   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.016   1.327   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -2.944   1.484   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.294   0.659   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.706  -0.055   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.531  -0.055   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.944   0.659   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.531   1.374   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.706   1.374   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.294  -0.770   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.706  -1.484   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.531  -1.484   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.944  -0.770   0.000  1.00  0.00           C  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8    5                                                 
CONECT   10    1                                                      
CONECT   11    8   12   16                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14   20                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   12   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   13                                                 
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D07TTT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.670  -0.405   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.670  -1.230   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.385  -1.643   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.099  -1.230   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.099  -0.405   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.385   0.007   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       2.813   0.007   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       2.813  -1.643   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       2.813  -2.468   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1       3.528  -1.230   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1      -0.044   0.007   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.131   0.828   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.938   0.999   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.350   0.285   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.798  -0.328   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.273   1.753   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.686   2.468   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.846   0.569   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.194   0.064   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.472  -0.713   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.297  -0.687   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1      -3.528   0.105   0.000  1.00  0.00           S  
CONECT    1    2    6   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    4    9   10                                            
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11    1   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   19                                            
CONECT   15   14   11                                                 
CONECT   16   13   17                                                 
CONECT   17   16                                                      
CONECT   18   19   22                                                 
CONECT   19   18   20   14                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   18                                                 
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D07TUN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.362   1.783   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.362   0.958   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.648   0.546   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.933   0.958   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.933   1.783   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.648   2.196   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.147   2.038   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.632   1.371   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.147   0.703   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.402   2.823   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.648  -0.279   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.219   0.546   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.504   0.958   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.790   0.546   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.790  -0.279   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.075  -0.692   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.639  -0.279   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.639   0.546   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.075   0.958   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.354  -0.692   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.068  -0.279   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.783  -0.692   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.783  -1.517   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.497  -1.929   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.212  -1.517   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.212  -0.692   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.497  -0.279   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       2.068   0.546   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       3.669  -2.736   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       4.489  -2.823   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       4.825  -2.069   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       5.632  -1.897   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   11                                            
CONECT    4    3    5   12                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    7                                                      
CONECT   11    3                                                      
CONECT   12    4   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22   28                                            
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26   31                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   21                                                      
CONECT   29   24   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   25   32                                            
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D07TVO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -6.170  -0.206   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -6.170  -1.031   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.456  -1.444   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.741  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.741  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.456   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.027   0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.313  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.598   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.598   1.031   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.313   1.444   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.027   1.031   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.884  -0.206   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.169   0.206   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.455  -0.206   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1      -1.169   1.031   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       0.260   0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.974  -0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.689   0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.689   1.031   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.974   1.444   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.260   1.031   0.000  1.00  0.00           C  
HETATM   23 CL   UNL     1       2.403   1.444   0.000  1.00  0.00          Cl  
HETATM   24  N   UNL     1      -6.885  -1.444   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       2.403  -0.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.118   0.206   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       3.871  -0.129   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       4.423   0.484   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       4.011   1.198   0.000  1.00  0.00           N  
HETATM   30  N   UNL     1       3.204   1.027   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       5.244   0.398   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.579  -0.356   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       6.400  -0.442   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       6.885   0.225   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       6.549   0.979   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       5.729   1.065   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   24                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    9   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   17                                                 
CONECT   16   14                                                      
CONECT   17   15   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   25                                            
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   20                                                      
CONECT   24    2                                                      
CONECT   25   19   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   26                                                 
CONECT   31   28   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D07UBZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.015   0.425   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.015  -0.400   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.301  -0.813   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.586  -0.400   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.586   0.425   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.301   0.837   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.872   0.837   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.118   0.502   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.434   1.115   0.000  1.00  0.00           C  
HETATM   10  S   UNL     1       0.022   1.829   0.000  1.00  0.00           S  
HETATM   11  C   UNL     1      -0.785   1.658   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.729  -0.813   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.872  -0.813   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1       1.254   1.029   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.667   0.314   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.254  -0.400   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.667  -1.115   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.492  -1.115   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.905  -0.400   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.492   0.314   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.254  -1.829   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.729  -0.400   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   12                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10    7                                                 
CONECT   12    2                                                      
CONECT   13    4                                                      
CONECT   14    9   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   15                                                 
CONECT   21   17                                                      
CONECT   22   19                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D07ULI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.839   0.882   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.052   0.086   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.360  -0.364   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.719   0.155   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.015   0.926   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.422   1.466   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.219   1.252   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.433   0.455   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.849  -0.128   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.096   0.026   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.615   0.667   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.319   1.438   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1      -0.496   1.567   0.000  1.00  0.00           N  
HETATM   14  S   UNL     1       1.412   0.454   0.000  1.00  0.00           S  
HETATM   15  C   UNL     1       1.625  -0.343   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.422  -0.556   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.636  -1.353   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.433  -1.567   0.000  1.00  0.00           C  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    1   13                                            
CONECT    6    1    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    4   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    5                                                 
CONECT   14   11   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D07UNH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.487   1.885   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.487   1.060   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.772   0.647   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.058   1.060   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.058   1.885   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.772   2.297   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.343   0.647   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.343  -0.178   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.058  -0.591   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.058  -1.415   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.343  -1.828   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.629  -1.415   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.629  -0.591   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.914  -1.828   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.200  -1.415   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.200  -0.591   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.914  -0.178   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.515  -0.178   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.229  -0.591   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.944  -0.178   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.658  -0.591   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1       2.744  -1.411   0.000  1.00  0.00           S  
HETATM   23  C   UNL     1       3.551  -1.583   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.964  -0.868   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       3.412  -0.255   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       3.964  -2.297   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.789  -2.297   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.201  -1.583   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.789  -0.868   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       0.515   0.647   0.000  1.00  0.00           O  
HETATM   31  F   UNL     1      -5.201   2.297   0.000  1.00  0.00           F  
CONECT    1    2    6   31                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    8   17                                            
CONECT   14   12   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   13                                                 
CONECT   18   16   19   30                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25   29                                            
CONECT   25   24   21                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   18                                                      
CONECT   31    1                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D07UZL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.244  -0.293   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.244  -1.119   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.959  -1.531   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.673  -1.119   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.673  -0.293   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.959   0.119   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.401   0.221   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.205   0.037   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.563  -0.706   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.205  -1.449   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.401  -1.633   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.617  -2.164   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.388  -0.706   0.000  1.00  0.00           O  
HETATM   14 BR   UNL     1       0.959   0.944   0.000  1.00  0.00          Br  
HETATM   15 BR   UNL     1       2.388  -1.531   0.000  1.00  0.00          Br  
HETATM   16  C   UNL     1      -0.327   1.043   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.085   1.367   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.628   0.746   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.299   2.164   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   15                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   14                                            
CONECT    7    1    8   16                                            
CONECT    8    7    9   18                                            
CONECT    9    8   10   13                                            
CONECT   10    9   11   12                                            
CONECT   11   10    2                                                 
CONECT   12   10                                                      
CONECT   13    9                                                      
CONECT   14    6                                                      
CONECT   15    4                                                      
CONECT   16    7   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17    8                                                 
CONECT   19   17                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D07VFQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.205   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.205  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.491  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.776  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.776   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.491   0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.920   0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.062   0.412   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.653   0.000   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -0.062   1.238   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.367   0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.082   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.796   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.796   1.238   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       2.082   1.650   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.367   1.238   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.082  -0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.367  -1.238   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.367  -2.062   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.082  -2.475   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.796  -2.062   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.796  -1.238   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.006   1.233   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1      -3.813   1.405   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.225   0.690   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.673   0.077   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.148   2.158   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.511   1.650   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.225   1.238   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       3.511   2.475   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       4.225   2.062   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.920  -1.238   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1      -2.507  -1.952   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -3.635  -1.650   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -3.333  -0.523   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3   32                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    1   23   26                                            
CONECT    8    5    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9   12   16                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   28                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   12   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23    7   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25    7                                                 
CONECT   27   24                                                      
CONECT   28   14   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
CONECT   32    2   33   34   35                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END

$$$$

$$$$

$$$$
D07VLC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858   0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429   0.000   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143   1.238   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.143  -1.238   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.429  -1.650   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.715  -1.238   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.715  -0.412   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.715   1.238   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.000   0.825   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       0.000   0.000   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1       0.715   1.238   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.429   0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.143   1.238   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.143   2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.429   2.475   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.715   2.062   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.429   0.000   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.715  -0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.715  -1.238   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.429  -1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.143  -1.238   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.143  -0.412   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.858   2.475   0.000  1.00  0.00           O  
HETATM   27  F   UNL     1       1.429  -2.475   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    5   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12                                                      
CONECT   14   12   15   19                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   26                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   15   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   17                                                      
CONECT   27   23                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D07VNW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215  -1.031   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.501  -0.619   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.786  -1.031   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.072  -0.619   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.357  -1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.357  -0.619   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.786  -1.856   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.357  -1.856   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.072  -1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.786  -0.619   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.786   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.072   0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.357   0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.501   0.619   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.215   0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.930   0.619   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.930   1.444   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.215   1.856   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.501   1.444   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   13   17                                            
CONECT   11    7                                                      
CONECT   12    9                                                      
CONECT   13   10   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   10                                                 
CONECT   18   15   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D07VPQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143  -0.825   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.143  -1.650   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.429  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715  -1.650   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.715  -0.825   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429   0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.715   0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.715   1.650   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.429   2.062   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.143   1.650   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.143   0.825   0.000  1.00  0.00           C  
HETATM   13 CL   UNL     1      -2.858   0.412   0.000  1.00  0.00          Cl  
HETATM   14  N   UNL     1       0.000   2.062   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.715   1.650   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.715   0.825   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.429   2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.143   1.650   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.858   2.062   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.858   2.888   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.143   3.300   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.429   2.888   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       0.000  -2.062   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       0.715  -1.650   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.429  -2.062   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.429  -2.888   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.143  -3.300   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.858  -2.888   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.858  -2.062   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.143  -1.650   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.715  -0.825   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   23                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7   13                                            
CONECT   13   12                                                      
CONECT   14    9   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15                                                      
CONECT   17   15   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23    4   24                                                 
CONECT   24   23   25   31                                            
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   24                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D07VUL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.572   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.714   0.412   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.714  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.000  -0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.714  -0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.714   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.000   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.429  -0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.714  -1.238   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       0.000  -1.650   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       1.429  -1.650   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.714  -1.238   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.143  -0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.858  -0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.858  -1.650   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.572  -2.062   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.287  -1.650   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.287  -0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.572  -0.412   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -5.001   2.062   0.000  1.00  0.00           N1+
HETATM   28  O   UNL     1      -5.001   2.885   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1      -5.713   1.651   0.000  1.00  0.00           O1-
HETATM   30  N   UNL     1       5.001  -2.062   0.000  1.00  0.00           N1+
HETATM   31  O   UNL     1       5.001  -2.885   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       5.713  -1.651   0.000  1.00  0.00           O1-
CONECT    1   27    2    6                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15   16                                       
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   20                                                 
CONECT   16   12   17   18                                            
CONECT   17   16   19                                                 
CONECT   18   16                                                      
CONECT   19   17                                                      
CONECT   20   15   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   30   23   25                                            
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   28   29    1                                            
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   31   32   24                                            
CONECT   31   30                                                      
CONECT   32   30                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D07WAT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143  -1.672   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.429  -1.259   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.715  -1.672   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000  -1.259   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.715  -1.672   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.429  -1.259   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.143  -1.672   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.858  -1.259   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.572  -1.672   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.715  -2.497   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.000  -0.434   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.858  -1.259   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.572  -1.672   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.572  -2.497   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.858  -2.909   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.143  -2.497   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.583   0.149   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.370   0.946   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.380  -0.065   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       0.953   1.529   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.740   2.326   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.057   2.540   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.641   1.956   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.427   1.159   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       1.323   2.909   0.000  1.00  0.00           O  
HETATM   26  S   UNL     1       3.570  -1.672   0.000  1.00  0.00           S  
HETATM   27  O   UNL     1       2.856  -0.434   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       2.856  -1.259   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.141  -1.672   0.000  1.00  0.00           C  
CONECT    1    2   12   16                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   10                                            
CONECT    4    3    5   11                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   26                                                 
CONECT   10    3                                                      
CONECT   11    4   17                                                 
CONECT   12    1   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15    1                                                 
CONECT   17   11   18   19                                            
CONECT   18   17   20   24                                            
CONECT   19   17                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
CONECT   25   21                                                      
CONECT   26    9   28                                                 
CONECT   27   28                                                      
CONECT   28   26   27   29                                            
CONECT   29   28                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D07WNO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.900  -1.872   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.900  -2.697   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.185  -3.109   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.529  -2.697   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.529  -1.872   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.185  -1.459   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.174  -3.211   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       1.979  -3.028   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       2.337  -2.284   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.979  -1.541   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.174  -1.357   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1       2.402  -0.833   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       1.859  -0.211   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.100  -0.536   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.392  -0.113   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.411   0.712   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.294   1.141   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.018   0.712   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.018  -0.113   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.294  -0.541   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.735   1.121   0.000  1.00  0.00           O  
HETATM   22 CL   UNL     1      -1.614  -3.109   0.000  1.00  0.00          Cl  
HETATM   23  C   UNL     1      -1.739   1.946   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.067   2.424   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.314   3.211   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.139   3.211   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.402   2.424   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   22                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10    5   14                                            
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   11   15                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   23                                                 
CONECT   22    2                                                      
CONECT   23   21   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   23                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D07WOT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.200  -0.028   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.200  -0.853   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.515  -1.266   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.229  -0.853   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.229  -0.028   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.515   0.384   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.914  -1.266   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       1.944  -1.266   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       1.944  -2.091   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.944   0.384   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.697   0.049   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.249   0.662   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.837   1.376   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       2.030   1.205   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       4.074   0.662   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.487   1.376   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.074   2.091   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.249   2.091   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.914  -2.091   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1      -1.629  -0.853   0.000  1.00  0.00           N  
HETATM   21  S   UNL     1      -2.343  -0.441   0.000  1.00  0.00           S  
HETATM   22  O   UNL     1      -1.931   0.274   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.756  -1.155   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.058  -0.028   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.058   0.797   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.772   1.209   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.487   0.797   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.487  -0.028   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.772  -0.441   0.000  1.00  0.00           C  
HETATM   30  S   UNL     1      -2.474   1.380   0.000  1.00  0.00           S  
HETATM   31  O   UNL     1      -3.058   1.964   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1      -1.891   0.797   0.000  1.00  0.00           O  
HETATM   33  N   UNL     1      -1.891   1.964   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    2   19   20                                            
CONECT    8    4    9                                                 
CONECT    9    8                                                      
CONECT   10    5   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14   18                                            
CONECT   14   13   10                                                 
CONECT   15   12   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19    7                                                      
CONECT   20    7   21                                                 
CONECT   21   20   22   23   24                                       
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24   21   25   29                                            
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   25   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D07XBA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143  -2.898   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -3.723   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -4.135   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715  -3.723   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715  -2.898   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429  -2.485   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.756  -4.275   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -2.421  -5.029   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.601  -4.942   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.429  -1.660   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.143  -1.248   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.143  -0.423   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.858  -1.660   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1      -1.476   0.062   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.731   0.847   0.000  1.00  0.00           C  
HETATM   16  S   UNL     1      -2.556   0.847   0.000  1.00  0.00           S  
HETATM   17  C   UNL     1      -2.811   0.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.246   1.514   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.421   1.514   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1      -0.166   2.299   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.834   2.784   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.501   2.299   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.000  -2.485   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.715  -2.898   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.429  -2.485   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.429  -1.660   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.715  -1.248   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.000  -1.660   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.715  -0.423   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       1.429  -0.010   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       2.143  -0.423   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.858  -0.010   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.858   0.815   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.143   1.227   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.429   0.815   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.835   3.611   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1      -2.252   3.611   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1      -0.835   5.029   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1       0.584   3.611   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   23                                            
CONECT    6    5    1   10                                            
CONECT    7    2    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    3                                                 
CONECT   10    6   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11   14   17                                            
CONECT   13   11                                                      
CONECT   14   12   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   36                                            
CONECT   22   21   18                                                 
CONECT   23    5   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   23                                                 
CONECT   29   27   30                                                 
CONECT   30   29   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
CONECT   36   37   38   39   21                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   36                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END

$$$$

$$$$

$$$$
D07XVL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.870   0.151   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.585   0.564   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.156   0.564   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.156   1.389   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.870   1.801   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.585   1.389   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.441   0.151   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.727   0.564   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.727   1.389   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1      -0.012   0.151   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.702   0.564   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.417   0.151   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.417  -0.674   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.131  -1.087   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.846  -0.674   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.846   0.151   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.131   0.564   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.560  -1.087   0.000  1.00  0.00           C  
HETATM   19  F   UNL     1       4.275  -1.499   0.000  1.00  0.00           F  
HETATM   20  F   UNL     1       3.973  -0.372   0.000  1.00  0.00           F  
HETATM   21  F   UNL     1       3.148  -1.801   0.000  1.00  0.00           F  
HETATM   22  N   UNL     1      -4.198   0.011   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.862  -0.742   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.042  -0.656   0.000  1.00  0.00           N  
HETATM   25  O   UNL     1      -4.275  -1.457   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1       2.130   0.976   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.845   0.564   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.416   0.564   0.000  1.00  0.00           C  
CONECT    1    2    3   24                                            
CONECT    2    1    6   22                                            
CONECT    3    1    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    2                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   26                                            
CONECT   18   15   19   20   21                                       
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   18                                                      
CONECT   22    2   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23    1                                                 
CONECT   25   23                                                      
CONECT   26   17   27   28                                            
CONECT   27   26                                                      
CONECT   28   26                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D07XYI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.237  -1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.237  -2.475   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.522  -2.888   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.808  -2.475   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.808  -1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.522  -1.238   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.023  -2.730   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.538  -2.062   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.023  -1.395   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.522  -0.412   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.713  -2.062   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.301  -1.348   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.808   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.808   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.522   1.238   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.237   0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.237   0.000   0.000  1.00  0.00           C  
HETATM   18  S   UNL     1      -3.522   2.062   0.000  1.00  0.00           S  
HETATM   19  C   UNL     1      -3.522   2.888   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.808   2.475   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1      -4.237   2.475   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       0.524  -1.348   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.937  -0.634   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.524   0.081   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.301   0.081   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.713  -0.634   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       1.762  -0.634   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       2.174  -1.348   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.999  -1.348   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       3.412  -0.634   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       2.999   0.081   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.174   0.081   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.237  -0.634   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8    5                                                 
CONECT   10    6   13   17                                            
CONECT   11    8   12                                                 
CONECT   12   11   22   26                                            
CONECT   13   10   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   10                                                 
CONECT   18   15   19   20   21                                       
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   18                                                      
CONECT   22   12   23                                                 
CONECT   23   22   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   12                                                 
CONECT   27   23   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D07XZR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.072   1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.072   0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.786   0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.501   0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.501   1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.786   1.856   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1       3.215   1.856   0.000  1.00  0.00          Cl  
HETATM    8  N   UNL     1       0.357   0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.357   0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.072  -0.619   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.357  -1.031   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.357  -0.619   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.357   1.444   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.072  -1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.786  -0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.072  -1.856   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.786   0.619   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.501  -0.619   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.786  -1.031   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.215  -1.031   0.000  1.00  0.00           N  
HETATM   23  H   UNL     1      -1.786  -1.856   0.000  1.00  0.00           H  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    2    9   13                                            
CONECT    9    8   10   14                                            
CONECT   10    9   11   18                                            
CONECT   11   10   12   21                                            
CONECT   12   11   13                                                 
CONECT   13   12    8   15                                            
CONECT   14    9                                                      
CONECT   15   13   16   17                                            
CONECT   16   15                                                      
CONECT   17   15                                                      
CONECT   18   10   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   11   23                                            
CONECT   22   20                                                      
CONECT   23   21                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D07YHN
  -OEChem-09301911112D

 29 31  0     0  0  0  0  0  0999 V2000
    4.4487   -1.1682    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    3.3318    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.3147    3.3318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -2.6627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2087   -0.2028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    2.8318    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.6691   -1.2614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    1.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    0.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    1.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2087    1.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -1.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1147    1.3526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1147    0.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2213   -3.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0457    0.0218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0457    1.6418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2015    2.4864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6505    1.6647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6505   -0.0011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8064   -3.7926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6820   -3.7467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6362   -2.8711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478   -3.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 16  1  0  0  0  0
  2  6  1  0  0  0  0
  3  6  2  0  0  0  0
  4 16  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 10  1  0  0  0  0
  5 18  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  2  0  0  0  0
  8 20  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 15 17  2  0  0  0  0
 15 23  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  1  0  0  0  0
 18 25  1  0  0  0  0
 19 26  1  0  0  0  0
 19 27  1  0  0  0  0
 19 28  1  0  0  0  0
 20 29  1  0  0  0  0
M  CHG  2   2  -1   6   1
M  END

$$$$
D07YPE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.446  -1.057   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.446  -1.882   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.268  -2.294   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.983  -1.882   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.983  -1.057   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.268  -0.644   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.767  -2.137   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.252  -1.469   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.767  -0.802   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1       3.077  -1.469   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       3.490  -0.755   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       4.315  -0.755   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       4.727  -0.041   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.315   0.674   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.490   0.674   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.077  -0.041   0.000  1.00  0.00           C  
HETATM   17 CL   UNL     1       2.252  -0.041   0.000  1.00  0.00          Cl  
HETATM   18 CL   UNL     1       4.727  -1.469   0.000  1.00  0.00          Cl  
HETATM   19  C   UNL     1      -1.161  -0.644   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.875  -1.057   0.000  1.00  0.00           N  
HETATM   21  O   UNL     1      -1.161   0.181   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.590  -0.644   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.161  -2.294   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       3.077   1.389   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       3.490   2.103   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       3.077   2.817   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       2.252   2.817   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       3.490   3.532   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.077   4.246   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.315   3.532   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.902   4.246   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.981  -2.934   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.875  -1.882   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.590  -2.294   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1      -2.590  -3.119   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1      -1.875  -3.532   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.161  -3.119   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.304  -3.532   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.803   0.152   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.600  -0.061   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.387  -0.858   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.129  -3.532   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.717  -4.246   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.315   0.352   0.000  1.00  0.00           C  
HETATM   45  F   UNL     1      -3.902   1.067   0.000  1.00  0.00           F  
HETATM   46  F   UNL     1      -3.600  -0.060   0.000  1.00  0.00           F  
HETATM   47  F   UNL     1      -4.727  -0.362   0.000  1.00  0.00           F  
CONECT    1    2    6   19                                            
CONECT    2    1    3   23                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   32                                            
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13   18                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   24                                            
CONECT   16   15   11   17                                            
CONECT   17   16                                                      
CONECT   18   12                                                      
CONECT   19    1   20   21                                            
CONECT   20   19   22                                                 
CONECT   21   19                                                      
CONECT   22   39   41   20                                            
CONECT   23    2   33   37                                            
CONECT   24   15   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26                                                      
CONECT   28   26   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
CONECT   32    7                                                      
CONECT   33   23   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36   38                                            
CONECT   36   35   37                                                 
CONECT   37   36   23                                                 
CONECT   38   35   42   43                                            
CONECT   39   22   40                                                 
CONECT   40   39   41   44                                            
CONECT   41   40   22                                                 
CONECT   42   38   43                                                 
CONECT   43   42   38                                                 
CONECT   44   40   45   46   47                                       
CONECT   45   44                                                      
CONECT   46   44                                                      
CONECT   47   44                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
M  END

$$$$
D07YWE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.579  -1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.579  -2.269   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.865  -2.681   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.150  -2.269   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.150  -1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.865  -1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.436  -1.031   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.279  -1.444   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.436  -0.206   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       0.279  -0.619   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.279  -2.269   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.993  -2.681   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.708  -2.269   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.708  -1.444   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.993  -1.031   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       2.492  -2.524   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       2.977  -1.856   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       2.492  -1.189   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1      -3.364  -1.189   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.849  -1.856   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.364  -2.524   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       0.279   0.206   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.279   1.031   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.436   1.444   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.150   1.031   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.150   0.206   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.436   2.269   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.150   2.681   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1       0.279   2.681   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       0.993   2.269   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.993   1.444   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.708   1.031   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.422   1.444   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.422   2.269   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.708   2.681   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1       3.137   1.031   0.000  1.00  0.00           N1+
HETATM   37  O   UNL     1       3.137   0.209   0.000  1.00  0.00           O  
HETATM   38  O   UNL     1       3.849   1.442   0.000  1.00  0.00           O1-
CONECT    1    2    6   19                                            
CONECT    2    1    3   21                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9   10                                       
CONECT    8    7   11   15                                            
CONECT    9    7   22   26                                            
CONECT   10    7                                                      
CONECT   11    8   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   18                                            
CONECT   15   14    8                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   14                                                 
CONECT   19    1   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20    2                                                 
CONECT   22    9   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25    9                                                 
CONECT   27   24   28   29                                            
CONECT   28   27                                                      
CONECT   29   27   30                                                 
CONECT   30   29   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   36   32   34                                            
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
CONECT   36   37   38   33                                            
CONECT   37   36                                                      
CONECT   38   36                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D07YWQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.294  -0.370   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.294  -1.195   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.580  -1.607   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.865  -1.195   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.865  -0.370   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.580   0.043   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.080  -1.450   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -0.596  -0.782   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.080  -0.115   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.580   0.868   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.825   0.670   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.041   0.925   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.041   1.750   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -0.825   2.005   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.310   1.337   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.627   0.440   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.627   2.234   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.540  -0.381   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.208  -0.866   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.961  -0.530   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.048   0.290   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.380   0.775   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.825  -2.234   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.996   1.451   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.580   2.034   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.163   1.451   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.629  -1.015   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1       2.146  -1.680   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1       3.294  -1.498   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1       3.112  -0.350   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8   23                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   11                                            
CONECT   10    6   24   26                                            
CONECT   11    9   12   15                                            
CONECT   12   11   13   16                                            
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16   12   18   22                                            
CONECT   17   13                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   27   19   21                                            
CONECT   21   20   22                                                 
CONECT   22   21   16                                                 
CONECT   23    7                                                      
CONECT   24   10   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   10                                                 
CONECT   27   28   29   30   20                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D07ZCP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.073   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.073  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.359  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.644  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.644   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.359   0.619   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.930  -1.031   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.215  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.215   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.930   0.619   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.930   1.444   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.786  -0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.501   0.619   0.000  1.00  0.00           C  
HETATM   16  F   UNL     1      -1.072   0.619   0.000  1.00  0.00           F  
HETATM   17  C   UNL     1      -1.072  -1.031   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.357  -0.619   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1      -1.072  -1.856   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       0.357  -1.031   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.072  -0.619   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.055  -1.746   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.770  -1.746   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.786  -1.031   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.501  -0.619   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.501   0.206   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       1.786   0.619   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       1.072   0.206   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       3.215   0.619   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       3.930   0.206   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.644   0.619   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       4.644   1.444   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       3.930   1.856   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.215   1.444   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       5.359   1.856   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       6.073   1.444   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10   15                                            
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    8   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15   16                                            
CONECT   15   14    9                                                 
CONECT   16   14                                                      
CONECT   17   13   18   19                                            
CONECT   18   17   20                                                 
CONECT   19   17                                                      
CONECT   20   18   21   22   23                                       
CONECT   21   20   24   28                                            
CONECT   22   20                                                      
CONECT   23   20                                                      
CONECT   24   21   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   21                                                 
CONECT   29   26   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   35                                            
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   32   36                                                 
CONECT   36   35                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D07ZDJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.070   2.091   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.070   1.266   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.356   0.853   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.359   1.266   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.359   2.091   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.356   2.503   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.785   0.853   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.785   0.028   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.070  -0.384   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.499  -0.384   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.070  -1.209   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.356  -1.622   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.359  -1.209   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.359  -0.384   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.356   0.028   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.073  -1.622   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.073   2.503   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.073   3.328   0.000  1.00  0.00           O  
HETATM   19  N   UNL     1       1.788   2.091   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.788   1.266   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.502   0.853   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.216   1.266   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.216   2.091   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.502   2.503   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.931   2.503   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       4.645   2.091   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1       3.931   3.328   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.214   0.028   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.785  -1.622   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       1.159  -2.442   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       1.966  -2.614   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.379  -1.899   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.827  -1.286   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.379  -3.328   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.204  -3.328   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.616  -2.614   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.204  -1.899   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.931  -0.384   0.000  1.00  0.00           C  
HETATM   39  F   UNL     1      -3.518  -1.099   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1      -4.645  -0.797   0.000  1.00  0.00           F  
HETATM   41  F   UNL     1      -4.343   0.330   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   17                                            
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8   11   15                                            
CONECT   10    8   28                                                 
CONECT   11    9   12   29                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14    9                                                 
CONECT   16   13   30   33                                            
CONECT   17    5   18   19                                            
CONECT   18   17                                                      
CONECT   19   17   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   19                                                 
CONECT   25   26   27   23                                            
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   10   38                                                 
CONECT   29   11                                                      
CONECT   30   16   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33   37                                            
CONECT   33   32   16                                                 
CONECT   34   31   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   32                                                 
CONECT   38   28   39   40   41                                       
CONECT   39   38                                                      
CONECT   40   38                                                      
CONECT   41   38                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D07ZKE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.334   1.812   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.620   2.225   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.905   1.812   0.000  1.00  0.00           N  
HETATM    4  O   UNL     1      -2.620   3.050   0.000  1.00  0.00           O  
HETATM    5  C   UNL     1      -1.191   2.225   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.476   1.812   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.238   2.225   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.238   3.050   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.476   3.462   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.191   3.050   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.023   1.970   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.508   2.637   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       1.023   3.304   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.278   1.185   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.793   0.518   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.278  -0.150   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.062   0.105   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.062   0.930   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.106  -0.957   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.719  -1.509   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.504  -1.254   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.675  -0.447   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       3.117  -1.806   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       2.945  -2.613   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.558  -3.165   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.343  -2.910   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.515  -2.103   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.901  -1.551   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.159   1.812   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.747   1.098   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -4.572   2.526   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -4.956   1.599   0.000  1.00  0.00           F  
HETATM   33  C   UNL     1       4.956  -3.462   0.000  1.00  0.00           C  
CONECT    1    2   29   30                                            
CONECT    2    1    3    4                                            
CONECT    3    2    5                                                 
CONECT    4    2                                                      
CONECT    5    3    6   10                                            
CONECT    6    5    7                                                 
CONECT    7    6    8   11                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    7   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18   22                                            
CONECT   18   17   14                                                 
CONECT   19   16   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   17                                                 
CONECT   23   21   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   33                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29    1   30   31   32                                       
CONECT   30   29    1                                                 
CONECT   31   29                                                      
CONECT   32   29                                                      
CONECT   33   26                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END

$$$$

$$$$

$$$$
D07ZMG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.061   1.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.061   1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.776   0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.490   1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.490   1.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.776   2.269   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.776   3.094   0.000  1.00  0.00           N  
HETATM    8  F   UNL     1       3.204   0.619   0.000  1.00  0.00           F  
HETATM    9  N   UNL     1       1.776  -0.206   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1       0.346   0.619   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.368   1.031   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.368   1.856   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.082   0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.836   0.954   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1      -2.388   0.341   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1      -1.976  -0.373   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.169  -0.202   0.000  1.00  0.00           N  
HETATM   18  N   UNL     1      -2.311  -1.127   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1      -3.118  -1.298   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.204  -2.119   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.451  -2.454   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.899  -1.841   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.061  -0.619   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.061  -1.444   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.776  -1.856   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.490  -1.444   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.490  -0.619   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       1.061  -2.269   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       2.490  -2.269   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       3.204  -1.856   0.000  1.00  0.00           N  
HETATM   31  O   UNL     1       2.490  -3.094   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       0.346  -1.856   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    4                                                      
CONECT    9    3   23   27                                            
CONECT   10    2   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   13                                                 
CONECT   18   16   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   18                                                 
CONECT   23    9   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28   29                                       
CONECT   26   25   27                                                 
CONECT   27   26    9                                                 
CONECT   28   25   32                                                 
CONECT   29   25   30   31                                            
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   28                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END

$$$$

$$$$

$$$$
D07ZTT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.231   0.321   0.000  1.00  0.00           N  
HETATM    2  N   UNL     1      -2.231  -0.504   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.517  -0.916   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.803  -0.504   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.803   0.321   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.517   0.734   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.189   0.873   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.525   1.627   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.345   1.541   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.517  -1.741   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.803  -2.154   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.088  -1.741   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.088  -0.916   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.898   2.154   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.618   0.702   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.872  -0.083   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.679  -0.254   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.231   0.359   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.977   1.143   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.170   1.315   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1       0.915   2.099   0.000  1.00  0.00          Cl  
HETATM   22  O   UNL     1       0.626  -2.154   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.341  -1.741   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   10                                            
CONECT    4    3    5   13                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1    9                                            
CONECT    7    5    8   15                                            
CONECT    8    7    9                                                 
CONECT    9    8    6   14                                            
CONECT   10    3   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   22                                            
CONECT   13   12    4                                                 
CONECT   14    9                                                      
CONECT   15    7   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
CONECT   22   12   23                                                 
CONECT   23   22                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D07ZUO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.119  -0.167   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.532   0.547   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.312   0.005   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.226   0.825   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.980   1.161   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.511   1.238   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.797   0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.082   1.238   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.082   2.062   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.797   2.475   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.511   2.062   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -3.226   2.475   0.000  1.00  0.00          Cl  
HETATM   13  N   UNL     1      -0.368   0.825   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.347   1.238   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.455  -0.921   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.061   0.825   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       0.347   2.062   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.061   0.000   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.775  -0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.490   0.000   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.490   0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.775   1.238   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.775   2.062   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       3.204  -0.412   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       3.204  -1.238   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.919  -1.650   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       4.633  -1.238   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       4.633  -0.412   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.919   0.000   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.348  -1.650   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.348   0.000   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.919  -2.475   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.262  -1.092   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.348  -1.913   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.594  -2.248   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1      -4.042  -1.635   0.000  1.00  0.00           O  
CONECT    1    2    3   15                                            
CONECT    2    1    5                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    2                                                 
CONECT    6    4    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    6   12                                            
CONECT   12   11                                                      
CONECT   13    8   14                                                 
CONECT   14   13   16   17                                            
CONECT   15    1   33   36                                            
CONECT   16   14   18   22                                            
CONECT   17   14                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   16   23                                            
CONECT   23   22                                                      
CONECT   24   20   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   32                                            
CONECT   27   26   28   30                                            
CONECT   28   27   29   31                                            
CONECT   29   28   24                                                 
CONECT   30   27                                                      
CONECT   31   28                                                      
CONECT   32   26                                                      
CONECT   33   15   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   15                                                 
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D08BCK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.333   1.399   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.333   0.574   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.688   0.059   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.116   0.243   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.474   0.986   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.116   1.730   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.688   1.913   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.872  -0.745   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.660  -0.988   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.843  -1.792   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.239  -2.354   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.450  -2.110   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.267  -1.306   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.299   0.986   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.539   2.438   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1      -0.003   3.059   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.762   2.735   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -1.422  -3.158   0.000  1.00  0.00          Cl  
HETATM   19  C   UNL     1      -1.470   3.158   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       1.883   0.403   0.000  1.00  0.00           O  
HETATM   21  S   UNL     1       2.680   0.616   0.000  1.00  0.00           S  
HETATM   22  C   UNL     1      -2.047   1.811   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.762   1.399   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.762   0.574   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.047   0.161   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.466   1.413   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1       2.893  -0.180   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       3.477   0.830   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.476   0.161   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.477  -0.664   0.000  1.00  0.00           C  
CONECT    1    2    7   22                                            
CONECT    2    1    3   25                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   14                                            
CONECT    6    5    7   15                                            
CONECT    7    6    1   17                                            
CONECT    8    3    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   18                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    5   20                                                 
CONECT   15    6   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16    7   19                                            
CONECT   18   11                                                      
CONECT   19   17                                                      
CONECT   20   14   21                                                 
CONECT   21   20   26   27   28                                       
CONECT   22    1   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24    2                                                 
CONECT   26   21                                                      
CONECT   27   21                                                      
CONECT   28   21                                                      
CONECT   29   24   30                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D08BFF
  -OEChem-09301911152D

 58 61  0     0  0  0  0  0  0999 V2000
    5.5622    4.8173    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9158    3.1217    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9225    3.5321    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2875    1.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5196   -4.7389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7875   -4.7389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7875   -1.7389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7875    0.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9215   -0.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6535   -0.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5965    0.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9785    0.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9215   -1.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6535   -1.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2875    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7875   -2.7389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9631    0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6025    2.5847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6535   -3.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2602    1.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5820    2.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6535   -4.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9368    2.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2706    3.6633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2916    3.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5832    4.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9789    2.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6254    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9170    5.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9380    5.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7094    0.3437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3109   -0.3465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2641   -0.3465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8656    0.3437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9065    0.3120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1629    1.1011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3109   -1.1312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7094   -1.8215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8656   -1.8215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2641   -1.1312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1769   -2.6312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5754   -3.3215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7783    0.0248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2641   -3.3465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8656   -2.6563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542    1.2541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4098    2.5911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1669    2.3418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5196   -5.3589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9982    1.8896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5926    2.4206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0184    4.0783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1108    5.9478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250    5.6171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8734    2.9121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3931    2.1786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1266    1.6982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 21  1  0  0  0  0
  2 23  1  0  0  0  0
  3 18  1  0  0  0  0
  4 11  1  0  0  0  0
  4 15  1  0  0  0  0
  5 22  1  0  0  0  0
  5 50  1  0  0  0  0
  6 22  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 14  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 15  2  0  0  0  0
 12 17  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 20  2  0  0  0  0
 17 44  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 21  1  0  0  0  0
 20 47  1  0  0  0  0
 23 24  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  2  0  0  0  0
 27 31  1  0  0  0  0
 27 51  1  0  0  0  0
 27 52  1  0  0  0  0
 28 30  2  0  0  0  0
 28 53  1  0  0  0  0
 29 30  1  0  0  0  0
 29 54  1  0  0  0  0
 30 55  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
 31 58  1  0  0  0  0
M  END

$$$$
D08BIH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.186   0.183   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.471  -0.229   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.243   0.183   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.958  -0.229   0.000  1.00  0.00           N  
HETATM    5  O   UNL     1       0.243   1.008   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1      -1.272   1.004   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.079   1.175   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.491   0.461   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.940  -0.152   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.720   1.617   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.975   2.402   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.782   2.573   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.334   1.960   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.299   0.289   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.553  -0.495   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.001  -1.108   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.194  -0.937   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.672   0.183   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.426  -0.152   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.978   0.461   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.565   1.175   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.758   1.004   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.820   1.960   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.268   2.573   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.461   2.402   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.206   1.617   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.597  -0.959   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.984  -1.511   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.156  -2.318   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.940  -2.573   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.553  -2.021   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.382  -1.214   0.000  1.00  0.00           C  
CONECT    1    2    6    9                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    5                                            
CONECT    4    3   18                                                 
CONECT    5    3                                                      
CONECT    6    1    7   10                                            
CONECT    7    6    8   13                                            
CONECT    8    7    9   14                                            
CONECT    9    8    1   17                                            
CONECT   10    6   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    7                                                 
CONECT   14    8   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16    9                                                 
CONECT   18    4   19   22                                            
CONECT   19   18   20   27                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   18   26                                            
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   22                                                 
CONECT   27   19   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END

$$$$

$$$$

$$$$
D08BVX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.142   0.001   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.142  -0.824   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.428  -1.236   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.713  -0.824   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.713   0.001   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.428   0.414   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.001  -1.236   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.716  -0.824   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.716   0.001   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.001   0.414   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.001  -2.061   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       1.430  -1.236   0.000  1.00  0.00           O  
HETATM   13  N   UNL     1       1.430   0.414   0.000  1.00  0.00           N1+
HETATM   14  O   UNL     1       2.142   0.003   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1       1.430   1.236   0.000  1.00  0.00           O1-
HETATM   16  N   UNL     1       0.001   1.239   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1      -0.711   1.650   0.000  1.00  0.00           N1+
HETATM   18  N   UNL     1      -1.423   2.061   0.000  1.00  0.00           N1-
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9   13    8   10                                            
CONECT   10   16    9    5                                            
CONECT   11    7                                                      
CONECT   12    8                                                      
CONECT   13   14   15    9                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   17   10                                                 
CONECT   17   18   16                                                 
CONECT   18   17                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D08CEK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.294  -0.888   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.294  -1.713   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.580  -2.125   0.000  1.00  0.00           N  
HETATM    4  N   UNL     1      -1.865  -1.713   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.865  -0.888   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.580  -0.475   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.080  -1.968   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.596  -1.300   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.080  -0.633   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.580   0.350   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.825   0.152   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.041   0.407   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.041   1.232   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -0.825   1.487   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.310   0.819   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.627  -0.078   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.627   1.717   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.540  -0.899   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.208  -1.384   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.961  -1.048   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.048  -0.228   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.380   0.257   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.825  -2.752   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.996   0.933   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.580   1.516   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.163   0.933   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.629  -1.533   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1       2.146  -2.198   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1       3.294  -2.016   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1       3.112  -0.868   0.000  1.00  0.00           F  
HETATM   31  O   UNL     1      -2.580   2.341   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.292   2.752   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8   23                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   11                                            
CONECT   10    6   24   26                                            
CONECT   11    9   12   15                                            
CONECT   12   11   13   16                                            
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16   12   18   22                                            
CONECT   17   13                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   27   19   21                                            
CONECT   21   20   22                                                 
CONECT   22   21   16                                                 
CONECT   23    7                                                      
CONECT   24   10   25                                                 
CONECT   25   31   24   26                                            
CONECT   26   25   10                                                 
CONECT   27   28   29   30   20                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
CONECT   31   32   25                                                 
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D08CGI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.262   0.551   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.452   0.964   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.167   0.551   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       1.881   0.964   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.596   0.551   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.977   0.964   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.310   0.964   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       4.135   0.964   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       3.723   1.678   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       4.850   0.551   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       4.850  -0.274   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       5.564   0.964   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1       2.596  -0.274   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1       0.452   1.789   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.167  -0.274   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.452  -0.686   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.373  -0.686   0.000  1.00  0.00           C  
HETATM   18  S   UNL     1      -0.628  -1.471   0.000  1.00  0.00           S  
HETATM   19  C   UNL     1       0.040  -1.956   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.707  -1.471   0.000  1.00  0.00           N  
HETATM   21  S   UNL     1      -1.063   1.784   0.000  1.00  0.00           S  
HETATM   22  C   UNL     1      -1.870   1.956   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.282   1.241   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.730   0.628   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.103   1.155   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.588   1.823   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.408   1.736   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.744   0.983   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.259   0.315   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.438   0.401   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -5.564   0.896   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   14                                            
CONECT    3    2    4   15                                            
CONECT    4    3    5                                                 
CONECT    5    4    7   13                                            
CONECT    6    1   21   24                                            
CONECT    7    5    8    9                                            
CONECT    8    7    9   10                                            
CONECT    9    8    7                                                 
CONECT   10    8   11   12                                            
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13    5                                                      
CONECT   14    2                                                      
CONECT   15    3   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   16                                                 
CONECT   21    6   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23    6                                                 
CONECT   25   23   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D08CLA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -0.278   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215   0.135   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786   0.135   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.786   0.960   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501   1.373   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215   0.960   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.072  -0.278   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.357   0.135   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.357   0.960   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1       0.357  -0.278   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.072   0.135   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.786  -0.278   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.786  -1.103   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.501  -1.515   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.215  -1.103   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.215  -0.278   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.501   0.135   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.501   0.960   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       3.930  -1.515   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1       4.644  -1.927   0.000  1.00  0.00           F  
HETATM   21  F   UNL     1       4.342  -0.801   0.000  1.00  0.00           F  
HETATM   22  F   UNL     1       3.517  -2.229   0.000  1.00  0.00           F  
HETATM   23  N   UNL     1      -3.930  -0.278   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.930  -1.103   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.215  -1.515   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.501  -1.103   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.644  -1.515   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       3.168   1.445   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.913   2.229   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.088   2.229   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.833   1.445   0.000  1.00  0.00           C  
CONECT    1    2    3   26                                            
CONECT    2    1    6   23                                            
CONECT    3    1    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    2                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   18                                            
CONECT   18   17   28   31                                            
CONECT   19   15   20   21   22                                       
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   19                                                      
CONECT   23    2   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25    1                                                 
CONECT   27   24                                                      
CONECT   28   18   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   18                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D08CUF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.893  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.893  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.179  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.465  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.465  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.179  -0.412   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.250  -2.062   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.965  -1.650   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.965  -0.825   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.250  -0.412   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.250   0.412   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.965   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.679   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.393   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.393   1.650   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.679   2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.965   1.650   0.000  1.00  0.00           C  
HETATM   18  F   UNL     1       0.250   2.062   0.000  1.00  0.00           F  
HETATM   19  S   UNL     1      -1.351   0.395   0.000  1.00  0.00           S  
HETATM   20  C   UNL     1      -2.171   0.481   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.506  -0.273   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.583   1.195   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.171   1.910   0.000  1.00  0.00           N  
HETATM   24  O   UNL     1      -3.408   1.195   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.821   0.481   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       3.107   2.062   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       3.821   1.650   0.000  1.00  0.00           C  
CONECT    1    2    6   21                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   19                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   26                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   18                                            
CONECT   18   17                                                      
CONECT   19    6   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20    1                                                 
CONECT   22   20   23   24                                            
CONECT   23   22                                                      
CONECT   24   22   25                                                 
CONECT   25   24                                                      
CONECT   26   15   27                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D08CWE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.349  -1.079   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.349  -1.904   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.635  -2.317   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.080  -1.904   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.080  -1.079   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.635  -0.667   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.064  -2.317   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.778  -1.904   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.794  -2.317   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.509  -1.904   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.223  -2.317   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.938  -1.904   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.938  -1.079   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.223  -0.667   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.509  -1.079   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.722  -2.159   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       4.207  -1.492   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       3.722  -0.824   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.635   0.158   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       0.080   0.571   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.833   0.235   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1       1.385   0.848   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       0.973   1.563   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.166   1.391   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.308   2.317   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.778  -1.079   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.493  -0.667   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.207  -1.079   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.207  -1.904   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.493  -2.317   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   19                                            
CONECT    7    2    8                                                 
CONECT    8    7   26   30                                            
CONECT    9    4   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   12   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19    6   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   20                                                 
CONECT   25   23                                                      
CONECT   26    8   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29    8                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D08CYC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.206   0.301   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.206  -0.524   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.492  -0.937   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.777  -0.524   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.777   0.301   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.492   0.713   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.062   0.713   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.652   0.301   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.366   0.713   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.081   0.301   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.795   0.713   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       3.510   0.301   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       4.224   0.713   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.224   1.538   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.510   1.951   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.795   1.538   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.637  -0.001   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       5.049   0.713   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.366   1.538   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.062   1.538   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.920  -0.937   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.674  -0.601   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.226  -1.214   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.814  -1.929   0.000  1.00  0.00           O  
HETATM   25  N   UNL     1      -3.007  -1.757   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.049  -1.126   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -5.049  -0.301   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -4.224  -1.126   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -5.049  -1.951   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   21                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   20                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   19                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   17   18                                       
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   13   18                                                 
CONECT   18   17   13                                                 
CONECT   19    9                                                      
CONECT   20    7                                                      
CONECT   21    2   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
CONECT   26   23   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D08CZY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.236  -0.199   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.478   0.214   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.192  -0.199   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.907   0.214   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.621  -0.199   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       3.336   0.214   0.000  1.00  0.00           N  
HETATM    7  O   UNL     1       1.907   1.039   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       4.090  -0.122   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       4.642   0.491   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       4.229   1.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.422   1.034   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       4.484   1.990   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.932   2.603   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.125   2.432   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.870   1.647   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.345  -0.906   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       5.152  -1.078   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       3.932  -1.621   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       4.484  -2.234   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       5.238  -1.898   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.951   0.214   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.665  -0.199   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.665  -1.024   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.951  -1.436   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.236  -1.024   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.380  -1.436   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.094  -1.024   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.809  -1.436   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.809  -2.261   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.094  -2.674   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.380  -2.261   0.000  1.00  0.00           C  
HETATM   32  S   UNL     1      -4.523  -2.674   0.000  1.00  0.00           S  
HETATM   33  C   UNL     1      -4.111  -3.388   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1      -5.238  -3.086   0.000  1.00  0.00           N  
HETATM   35  O   UNL     1      -4.936  -1.959   0.000  1.00  0.00           O  
HETATM   36  F   UNL     1       4.187   3.388   0.000  1.00  0.00           F  
CONECT    1    2   21   25                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    8   11                                            
CONECT    7    4                                                      
CONECT    8    6    9   16                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10    6   15                                            
CONECT   12   10   13                                                 
CONECT   13   12   14   36                                            
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16    8   17   18                                            
CONECT   17   16   20                                                 
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   17                                                 
CONECT   21    1   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24    1                                                 
CONECT   26   23   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   29   33   34   35                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
CONECT   36   13                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END

$$$$

$$$$

$$$$
D08DIJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.537  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.537  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.822  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.108  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.108  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.822  -0.412   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.607  -2.062   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.321  -1.650   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.321  -0.825   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.607  -0.412   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.607   0.412   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.321   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.035   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.750   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.750   1.650   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.035   2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.321   1.650   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1       0.607   2.062   0.000  1.00  0.00          Cl  
HETATM   19 CL   UNL     1       3.464   2.062   0.000  1.00  0.00          Cl  
HETATM   20  S   UNL     1      -0.994   0.395   0.000  1.00  0.00           S  
HETATM   21  C   UNL     1      -1.814   0.481   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.150  -0.273   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.227   1.195   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.814   1.910   0.000  1.00  0.00           N  
HETATM   25  O   UNL     1      -3.052   1.195   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.464   0.481   0.000  1.00  0.00           C  
CONECT    1    2    6   22                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   20                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   18                                            
CONECT   18   17                                                      
CONECT   19   15                                                      
CONECT   20    6   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21    1                                                 
CONECT   23   21   24   25                                            
CONECT   24   23                                                      
CONECT   25   23   26                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D08DJY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786  -1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786  -2.269   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.072  -2.681   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.357  -2.269   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357  -1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072  -1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.357  -1.031   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.357  -0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.357   0.206   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.072  -0.206   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.357   1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.072  -1.444   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.072  -2.269   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.786  -2.681   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.501  -2.269   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.501  -1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.786  -1.031   0.000  1.00  0.00           C  
HETATM   18  F   UNL     1       3.215  -2.681   0.000  1.00  0.00           F  
HETATM   19  C   UNL     1      -1.072   1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.072   2.269   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.786   2.681   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.501   2.269   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.501   1.444   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.786   1.031   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1      -3.215   2.681   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   10                                            
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    6                                                 
CONECT   11    9   19                                                 
CONECT   12    7   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15                                                      
CONECT   19   11   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D08DMM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.551  -0.619   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.551  -1.444   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.837  -1.856   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.122  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.122  -0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.837  -0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.164  -1.996   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.829  -2.749   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.008  -2.663   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -1.837   0.619   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.122   1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.408  -1.856   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.408  -2.681   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1       0.306  -1.444   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.021  -1.856   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.408   0.619   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.306   1.031   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.306   1.856   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.408   2.269   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.122   1.856   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1      -0.408   3.094   0.000  1.00  0.00           F  
HETATM   22  C   UNL     1       1.021  -2.681   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.736  -3.094   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.450  -2.681   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.450  -1.856   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       1.736  -1.444   0.000  1.00  0.00           N  
HETATM   27  F   UNL     1       3.164  -3.094   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5   12                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   10                                            
CONECT    7    2    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    3                                                 
CONECT   10    6   11                                                 
CONECT   11   10   16   20                                            
CONECT   12    4   13   14                                            
CONECT   13   12                                                      
CONECT   14   12   15                                                 
CONECT   15   14   22   26                                            
CONECT   16   11   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   11                                                 
CONECT   21   19                                                      
CONECT   22   15   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   15                                                 
CONECT   27   24                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D08DNZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.725   2.236   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.309   1.652   0.000  1.00  0.00           C  
HETATM    3  S   UNL     1      -1.934   0.917   0.000  1.00  0.00           S  
HETATM    4  C   UNL     1      -1.119   1.046   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.990   1.861   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.255   2.236   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.536   0.463   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.750  -0.334   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.546  -0.547   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.166  -0.917   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.659  -0.917   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.328   1.652   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.063   2.027   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.934   2.842   0.000  1.00  0.00           N  
HETATM   15  N   UNL     1       0.119   2.971   0.000  1.00  0.00           N  
HETATM   16 CL   UNL     1      -1.725   3.061   0.000  1.00  0.00          Cl  
HETATM   17  C   UNL     1       1.071  -1.632   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.896  -1.632   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.309  -0.917   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.896  -0.203   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.071  -0.203   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.659  -2.346   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.071  -3.061   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       1.896  -3.061   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       2.309  -2.346   0.000  1.00  0.00           C  
CONECT    1    2    5   16                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    1    6                                            
CONECT    6    5   12   15                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11                                                 
CONECT   11   10   17   21                                            
CONECT   12    6   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    6                                                 
CONECT   16    1                                                      
CONECT   17   11   18   22                                            
CONECT   18   17   19   25                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   11                                                 
CONECT   22   17   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   18                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D08DPU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.097   1.931   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.097   1.106   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.383   0.694   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.332   1.106   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.332   1.931   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.383   2.344   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.117   0.851   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.601   1.519   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.117   2.186   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.811   0.694   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.426   1.519   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       1.371   0.067   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.179  -0.105   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       2.731   0.508   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1       2.433  -0.890   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.881  -1.503   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.240  -1.061   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.074  -1.331   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.522  -1.944   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.777  -2.729   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.584  -2.900   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.136  -2.287   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.526   1.106   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.240   0.694   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.240  -0.131   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.526  -0.544   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.811  -0.131   0.000  1.00  0.00           C  
HETATM   28  H   UNL     1       1.529   2.900   0.000  1.00  0.00           H  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9   11                                            
CONECT    9    8    5   28                                            
CONECT   10    2   23   27                                            
CONECT   11    8                                                      
CONECT   12    7   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   16   17                                            
CONECT   16   15   18   22                                            
CONECT   17   15                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   16                                                 
CONECT   23   10   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   10                                                 
CONECT   28    9                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D08DWG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429   0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.715   0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.715   1.650   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.429   2.062   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.143   1.650   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.143   0.825   0.000  1.00  0.00           C  
HETATM   13 CL   UNL     1      -2.858   0.412   0.000  1.00  0.00          Cl  
HETATM   14  N   UNL     1       0.000   2.062   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.715   1.650   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.715   0.825   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.429   2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.143   1.650   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.858   2.062   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.858   2.888   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.143   3.300   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.429   2.888   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       0.000  -2.062   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       0.715  -1.650   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.429  -2.062   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.429  -2.888   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.143  -3.300   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       2.858  -2.888   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       2.858  -2.062   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.143  -1.650   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   23                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7   13                                            
CONECT   13   12                                                      
CONECT   14    9   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15                                                      
CONECT   17   15   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23    4   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D08EIA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.488   0.533   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.488  -0.292   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.774  -0.704   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.059  -0.292   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.059   0.533   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.774   0.946   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.655  -0.704   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.370  -0.292   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.370   0.533   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.655   0.946   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       0.655   1.771   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.203   0.946   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.289   1.766   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.096   1.938   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.508   1.223   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.956   0.610   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       2.084  -0.704   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.084  -1.527   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.796  -1.938   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.508  -1.527   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.508  -0.704   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.796  -0.293   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.203  -0.704   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.203  -1.527   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2   23    1    3                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8   17    7    9                                            
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    1   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   12                                                 
CONECT   17   18   22    8                                            
CONECT   18   19   17                                                 
CONECT   19   20   18                                                 
CONECT   20   21   19                                                 
CONECT   21   22   20                                                 
CONECT   22   21   17                                                 
CONECT   23   24    2                                                 
CONECT   24   23                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D08EID
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  F   UNL     1       1.428  -4.123   0.000  1.00  0.00           F  
HETATM    2  C   UNL     1      -2.143  -2.062   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -2.887   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429  -3.300   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715  -2.887   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.715  -2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429  -1.650   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.429  -0.825   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.143  -0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.715  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.000  -0.825   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.715   0.412   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1       0.715  -0.412   0.000  1.00  0.00           N  
HETATM   15  S   UNL     1       1.429  -0.825   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1      -1.429  -4.125   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.143  -4.537   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1      -0.715  -4.537   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.429   1.650   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.143   2.062   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.858   1.650   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.858   0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.143   2.887   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.429   3.300   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.429   4.125   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.143   4.537   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.858   4.125   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.858   3.300   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.429  -1.650   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       2.012  -0.242   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       2.226  -1.038   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       0.714  -2.062   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       0.714  -2.888   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.429  -3.300   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.143  -2.888   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       2.143  -2.062   0.000  1.00  0.00           C  
HETATM   38  F   UNL     1      -0.000  -1.650   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1      -0.000  -3.300   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1       2.858  -1.650   0.000  1.00  0.00           F  
HETATM   41  F   UNL     1       2.858  -3.300   0.000  1.00  0.00           F  
HETATM   42  C   UNL     1       0.713   0.413   0.000  1.00  0.00           C  
CONECT    1   35                                                      
CONECT    2    3    7                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    2    8                                            
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9   19   23                                            
CONECT   11    8   12   13                                            
CONECT   12   11   14                                                 
CONECT   13   11                                                      
CONECT   14   12   15   42                                            
CONECT   15   14   30   31   32                                       
CONECT   16    4   17   18                                            
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19   10   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   10                                                 
CONECT   24   21   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   15   33   37                                            
CONECT   31   15                                                      
CONECT   32   15                                                      
CONECT   33   30   34   38                                            
CONECT   34   33   35   39                                            
CONECT   35   34   36    1                                            
CONECT   36   35   37   41                                            
CONECT   37   36   30   40                                            
CONECT   38   33                                                      
CONECT   39   34                                                      
CONECT   40   37                                                      
CONECT   41   36                                                      
CONECT   42   14                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D08EMW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786   2.064   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786   1.239   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072   0.826   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357   1.239   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.357   2.064   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.072   2.476   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.501   1.651   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.215   1.239   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.215   0.414   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.501   0.001   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.786   0.414   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.357   2.476   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       1.072   2.064   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1       0.357   3.301   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.786   2.476   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.501   2.064   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.215   2.476   0.000  1.00  0.00           O  
HETATM   18  S   UNL     1      -2.501  -0.824   0.000  1.00  0.00           S  
HETATM   19  O   UNL     1      -1.786  -1.236   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1      -3.215  -1.236   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.501  -1.649   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.215  -2.061   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.215  -2.886   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.501  -3.299   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.786  -2.886   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.786  -2.061   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -2.501  -4.124   0.000  1.00  0.00           F  
HETATM   28  C   UNL     1      -1.072  -3.299   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.786   3.301   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1       2.608   3.301   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1       1.786   4.124   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       0.964   3.301   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7   11                                       
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   12                                            
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   18                                            
CONECT   11   10    2                                                 
CONECT   12    5   13   14                                            
CONECT   13   12   15                                                 
CONECT   14   12                                                      
CONECT   15   29   13   16                                            
CONECT   16   15   17                                                 
CONECT   17   16                                                      
CONECT   18   10   19   20   21                                       
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   18   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26   28                                            
CONECT   26   25   21                                                 
CONECT   27   24                                                      
CONECT   28   25                                                      
CONECT   29   30   31   32   15                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D08ETA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.238  -2.269   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.238  -3.094   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.524  -3.506   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.809  -3.094   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.809  -2.269   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.524  -1.856   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.524  -1.031   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.238  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.238   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.809  -0.619   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.095  -1.031   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.809   0.206   0.000  1.00  0.00           O  
HETATM   13  N   UNL     1       0.620  -0.619   0.000  1.00  0.00           N  
HETATM   14  S   UNL     1       1.334  -1.031   0.000  1.00  0.00           S  
HETATM   15  O   UNL     1       0.922  -1.746   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       1.747  -1.746   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.918  -0.448   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.715  -0.661   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.298  -0.078   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.084   0.719   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.287   0.932   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.704   0.349   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.953  -3.506   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.524   0.619   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.524   1.444   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.238   1.856   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.953   1.444   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.953   0.619   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.238   2.681   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.524   3.094   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.524   3.919   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.238   4.331   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.953   3.919   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.953   3.094   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1      -3.667  -3.094   0.000  1.00  0.00           O  
HETATM   36  O   UNL     1      -2.953  -4.331   0.000  1.00  0.00           O  
HETATM   37  O   UNL     1      -1.524  -4.331   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1       0.619   0.206   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       3.667   1.303   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   23                                            
CONECT    3    2    4   37                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8   24   28                                            
CONECT   10    7   11   12                                            
CONECT   11   10   13                                                 
CONECT   12   10                                                      
CONECT   13   11   14   38                                            
CONECT   14   13   15   16   17                                       
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17   14   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   39                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23    2   35   36                                            
CONECT   24    9   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27    9                                                 
CONECT   29   26   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   23                                                      
CONECT   36   23                                                      
CONECT   37    3                                                      
CONECT   38   13                                                      
CONECT   39   20                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D08ETC
  -OEChem-09301911252D

 48 51  0     1  0  0  0  0  0999 V2000
    6.4103    1.1411    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4458    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2946   -0.0222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939    1.9458    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    8.9418   -0.5574    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    2.7505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5817    1.1368    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5328    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5328    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5817    2.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2727    0.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6328   -1.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019   -2.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9929   -3.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2801   -2.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6621   -3.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9492   -2.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6402   -3.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9694    1.0398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6617    0.8394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1494    1.5106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1494    2.3810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6617    3.0523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8339    3.3212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0448    3.0648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5483   -0.4285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0854   -1.2174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2511   -1.9970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760    3.4828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    3.2558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560    2.4089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.6358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3865   -3.3316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4717   -1.4540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4705   -4.5355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5557   -2.6579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0551   -4.1986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 18  1  0  0  0  0
  2 26  1  0  0  0  0
  3 26  1  0  0  0  0
  4 15  2  0  0  0  0
  5 20  2  0  0  0  0
  6 11  1  0  0  0  0
  6 14  1  0  0  0  0
  6 16  1  0  0  0  0
  7 15  1  0  0  0  0
  7 19  1  0  0  0  0
  7 37  1  0  0  0  0
  8 16  2  0  0  0  0
  8 17  1  0  0  0  0
  9 20  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 18  1  0  0  0  0
 10 22  2  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  6  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 17 18  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 27  1  0  0  0  0
 24 44  1  0  0  0  0
 25 28  2  0  0  0  0
 25 45  1  0  0  0  0
 26 43  1  0  0  0  0
 27 29  2  0  0  0  0
 27 46  1  0  0  0  0
 28 29  1  0  0  0  0
 28 47  1  0  0  0  0
 29 48  1  0  0  0  0
M  END

$$$$
D08EYN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.414  -0.292   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.414  -1.117   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.700  -1.529   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.985  -1.117   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.985  -0.292   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.700   0.121   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.271  -1.529   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.556  -1.117   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.158  -1.529   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.873  -1.117   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.873  -0.292   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.158   0.121   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.556  -0.292   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.129   0.121   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.587   0.121   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.412   0.121   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.996   0.704   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       3.710   0.292   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       2.996   1.529   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       3.710  -0.533   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.425  -0.946   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       5.139  -0.533   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       5.139   0.292   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.425   0.704   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.342   0.918   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.139   0.704   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.926  -0.093   0.000  1.00  0.00           C  
CONECT    1    2    6   14                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    1   25   27                                            
CONECT   15   11   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   20   24                                            
CONECT   19   17                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
CONECT   25   14   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   14                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D08FMC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.877  -1.061   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.877  -1.886   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.163  -2.299   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.448  -1.886   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.448  -1.061   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.163  -0.649   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.734  -2.299   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.019  -1.886   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.019  -1.061   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.734  -0.649   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.305  -0.649   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.305   0.176   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.019   0.589   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.734   0.176   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.480  -0.903   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.965  -0.236   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.480   0.431   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.749   0.019   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.749   0.844   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.965   1.099   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.448  -0.236   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.592  -2.299   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.218   0.997   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       0.381   1.682   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       0.965   1.924   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.417   1.329   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       2.331   2.149   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       3.171   0.993   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.257   0.173   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.838   1.478   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.752   2.299   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.592   1.143   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       4.505   1.963   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   22                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10   21                                       
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12   15                                            
CONECT   12   11   13   17   23                                       
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   12   20                                            
CONECT   18   16   19                                                 
CONECT   19   18   20   26                                            
CONECT   20   19   17   24   25                                       
CONECT   21    5                                                      
CONECT   22    2                                                      
CONECT   23   12                                                      
CONECT   24   20                                                      
CONECT   25   20                                                      
CONECT   26   19   27   28                                            
CONECT   27   26                                                      
CONECT   28   26   29   30                                            
CONECT   29   28                                                      
CONECT   30   28   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D08FOG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.072   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.358  -0.206   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.644   0.206   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.929  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.215   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.500  -0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.786   0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.072  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.357   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.357  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.072   0.206   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.786  -0.206   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.501   0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.215  -0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.929   0.206   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       4.644  -0.206   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       5.358   0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       6.072  -0.206   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D08GBR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.300  -0.357   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.888  -1.072   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.062  -1.072   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.650  -0.357   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.062   0.357   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.888   0.357   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.825  -0.357   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.412  -1.072   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.412  -1.072   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.825  -1.786   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.650  -1.786   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.062  -1.072   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.650  -0.357   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.825  -0.357   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.888  -1.072   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.300  -0.357   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       3.300  -1.786   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       2.888   0.357   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.412   0.357   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.412   0.357   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.825   1.072   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.412   1.786   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.412   1.786   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.825   1.072   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.650   1.072   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.063   1.786   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   19                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16                                                      
CONECT   19    7   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19   25                                            
CONECT   25   24   26                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D08GQL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.300  -0.357   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.888  -1.072   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.062  -1.072   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.650  -0.357   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.062   0.357   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.888   0.357   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.825  -0.357   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.412  -1.072   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.412  -1.072   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.825  -1.786   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.650  -1.786   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.062  -1.072   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.650  -0.357   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.825  -0.357   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.888  -1.072   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.300  -0.357   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       3.300  -1.786   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       2.888   0.357   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.412   0.357   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.412   0.357   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1       0.825   1.072   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       0.412   1.786   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.412   1.786   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.825   1.072   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   19                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16                                                      
CONECT   19    7   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D08GXR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.902   0.366   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.319   0.949   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.689  -0.431   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.892  -0.644   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.308  -0.061   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.522   0.736   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.939   1.319   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.142   1.106   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.442   1.689   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.228   2.486   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.569   2.699   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.152   2.116   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.807   0.323   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.395  -0.391   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.430  -0.391   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.807  -1.106   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       0.843  -1.106   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.668  -1.106   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.080  -0.391   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.668   0.323   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.843   0.323   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1       0.629   1.120   0.000  1.00  0.00           S  
HETATM   23  C   UNL     1       1.042   1.835   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       0.629  -1.903   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       0.843  -2.699   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.892  -0.217   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.735   0.366   0.000  1.00  0.00           C  
HETATM   28  H   UNL     1      -3.272  -1.014   0.000  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.731   1.664   0.000  1.00  0.00           H  
HETATM   30  C   UNL     1      -3.727   0.366   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.905  -0.391   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1       2.905  -1.213   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       3.727  -0.391   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       2.905   0.431   0.000  1.00  0.00           F  
CONECT    1    2    3   30                                            
CONECT    2    1    6   27   29                                       
CONECT    3    1    4   26   28                                       
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    2    7   13                                       
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    6   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   17   21                                            
CONECT   16   14                                                      
CONECT   17   15   18   24                                            
CONECT   18   17   19                                                 
CONECT   19   31   18   20                                            
CONECT   20   19   21                                                 
CONECT   21   20   15   22                                            
CONECT   22   21   23                                                 
CONECT   23   22                                                      
CONECT   24   17   25                                                 
CONECT   25   24                                                      
CONECT   26    3   27                                                 
CONECT   27    2   26                                                 
CONECT   28    3                                                      
CONECT   29    2                                                      
CONECT   30    1                                                      
CONECT   31   32   33   34   19                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D08HOV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.898  -0.682   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.898  -1.507   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.183  -1.920   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.469  -1.507   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.469  -0.682   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.183  -0.270   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.684  -1.762   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.199  -1.095   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.684  -0.427   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.621  -1.009   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.957  -0.255   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.472   0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.348   0.326   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.777  -0.169   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.113   0.585   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.628   1.252   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.808   1.166   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.898   0.840   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.898   1.665   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.113   1.920   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.621  -1.834   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.336  -1.421   0.000  1.00  0.00           C  
HETATM   23  H   UNL     1       1.540  -0.838   0.000  1.00  0.00           H  
HETATM   24  H   UNL     1       2.526  -0.130   0.000  1.00  0.00           H  
HETATM   25  N   UNL     1      -0.111   0.996   0.000  1.00  0.00           N  
HETATM   26  O   UNL     1      -1.267   0.156   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.267   0.981   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.855   1.560   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       0.395   1.881   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       1.220   1.881   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5   13   26                                       
CONECT   10    8   11   21   22                                       
CONECT   11   10   12   14   23                                       
CONECT   12   11   13   17   25                                       
CONECT   13   12    9                                                 
CONECT   14   11   15                                                 
CONECT   15   14   16   18   24                                       
CONECT   16   15   17   20                                            
CONECT   17   16   12   29                                            
CONECT   18   15   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   16                                                 
CONECT   21   10                                                      
CONECT   22   10                                                      
CONECT   23   11                                                      
CONECT   24   15                                                      
CONECT   25   12   27                                                 
CONECT   26    9   27                                                 
CONECT   27   26   25   28                                            
CONECT   28   27                                                      
CONECT   29   17   30                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D08HPR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.858  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.858   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429  -1.031   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.715  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.000  -1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.715  -0.619   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.429  -1.031   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.143  -0.619   0.000  1.00  0.00           C  
HETATM   13  B   UNL     1       2.858  -1.031   0.000  1.00  0.00           B  
HETATM   14  O   UNL     1       3.572  -0.619   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1      -4.287   0.619   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -5.001   0.206   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.429  -1.856   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       0.000  -1.856   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.715  -2.269   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       0.715   0.206   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.143   0.206   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       2.858  -1.856   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       2.858   0.619   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.572   0.206   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.287   0.619   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.287   1.444   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.572   1.856   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.858   1.444   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.572   2.681   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1       3.572   3.506   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1       2.858   3.094   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       4.287   3.094   0.000  1.00  0.00           F  
HETATM   33  C   UNL     1       0.715  -3.094   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.429  -3.506   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.143  -3.094   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.143  -2.269   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       1.429  -1.856   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1       5.001   1.856   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1       5.001   2.681   0.000  1.00  0.00           C  
CONECT    1    2    6   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   17                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   18                                            
CONECT   10    9   11   20                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   21                                            
CONECT   13   12   14   22                                            
CONECT   14   13                                                      
CONECT   15    1   16                                                 
CONECT   16   15                                                      
CONECT   17    7                                                      
CONECT   18    9   19                                                 
CONECT   19   18   33   37                                            
CONECT   20   10                                                      
CONECT   21   12   23                                                 
CONECT   22   13                                                      
CONECT   23   21   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   38                                            
CONECT   27   26   28   29                                            
CONECT   28   27   23                                                 
CONECT   29   27   30   31   32                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
CONECT   33   19   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   19                                                 
CONECT   38   26   39                                                 
CONECT   39   38                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D08HYS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.677  -1.595   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.004  -0.194   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.576  -0.900   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.249  -0.882   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.646  -0.158   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       0.218   0.547   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.607   0.529   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.456   1.337   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.222   1.807   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.879   1.308   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.828  -0.212   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.235   1.609   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.860   1.070   0.000  1.00  0.00           N  
HETATM   14  O   UNL     1       1.389   2.419   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       2.198  -0.149   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.682   0.302   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.252   0.066   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.532  -0.729   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.100  -0.536   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.692   0.173   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       2.971   0.646   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.317   0.453   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.100   0.194   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.100  -0.631   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.317  -0.882   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       0.697  -2.419   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.401  -1.990   0.000  1.00  0.00           C  
CONECT    1    4   26   27                                            
CONECT    2    3    7   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    1                                            
CONECT    5    4    6                                                 
CONECT    6    5    7    8                                            
CONECT    7    6    2   10                                            
CONECT    8    6    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9    7                                                 
CONECT   11    2   22   25                                            
CONECT   12    8   13   14                                            
CONECT   13   12   16   15                                            
CONECT   14   12                                                      
CONECT   15   18   19   13                                            
CONECT   16   13   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   15                                                 
CONECT   19   15   21                                                 
CONECT   20   16   21                                                 
CONECT   21   20   19                                                 
CONECT   22   11   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   11                                                 
CONECT   26    1   27                                                 
CONECT   27   26    1                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D08ICT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.974   0.206   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.260  -0.206   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.455   0.206   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       1.169  -0.206   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       1.883   0.206   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       0.455   1.031   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1       2.598  -0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.312   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.312   1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.598   1.444   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.883   1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.598  -1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.312  -1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.027  -1.031   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       4.027  -0.206   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.060   1.027   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.867   1.198   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.280   0.484   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.728  -0.129   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.100   0.398   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.585   1.065   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.406   0.979   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.741   0.225   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.256  -0.442   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.436  -0.356   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1      -2.951  -1.024   0.000  1.00  0.00           F  
HETATM   27  O   UNL     1       4.741  -1.444   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       4.741   0.206   0.000  1.00  0.00           C  
CONECT    1    2   16   19                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4    7   11                                            
CONECT    6    3                                                      
CONECT    7    5    8   12                                            
CONECT    8    7    9   15                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    5                                                 
CONECT   12    7   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   27                                            
CONECT   15   14    8   28                                            
CONECT   16    1   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18    1                                                 
CONECT   20   18   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20   26                                            
CONECT   26   25                                                      
CONECT   27   14                                                      
CONECT   28   15                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D08IIV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.316  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.316  -1.031   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.398  -1.444   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.113  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.113  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.398   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.827  -1.444   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.827  -2.269   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.542  -2.681   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.256  -2.269   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.256  -1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.542  -1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.827   0.206   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       2.581  -0.129   0.000  1.00  0.00           N  
HETATM   15  N   UNL     1       3.133   0.484   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1       2.721   1.198   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       1.914   1.027   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.398   1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.113   1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.113   2.269   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.398   2.681   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.316   2.269   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.316   1.444   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.030   0.206   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.745  -0.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.745  -1.031   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.030  -1.444   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.459   0.206   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1      -2.459   1.031   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -3.174  -0.206   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -3.256   0.420   0.000  1.00  0.00           F  
HETATM   32  C   UNL     1      -1.030   2.681   0.000  1.00  0.00           C  
CONECT    1    2    6   24                                            
CONECT    2    1    3   27                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   13                                            
CONECT    6    5    1   18                                            
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    5   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   13                                                 
CONECT   18    6   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   32                                            
CONECT   23   22   18                                                 
CONECT   24    1   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26    2                                                 
CONECT   28   25   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
CONECT   32   22                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D08INZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858   0.206   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.143  -0.206   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.429   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143   1.444   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.714   1.444   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.000   1.031   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -0.714   2.269   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       0.714   1.444   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.429   1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.143   1.444   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.143   2.269   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.429   2.681   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.714   2.269   0.000  1.00  0.00           C  
HETATM   16 CL   UNL     1       2.858   1.031   0.000  1.00  0.00          Cl  
HETATM   17  N   UNL     1      -0.714  -0.206   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.714  -1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.429  -1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.429  -2.269   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.714  -2.681   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       0.000  -2.269   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       0.000  -1.444   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.714  -2.681   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.429  -2.269   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.143  -2.681   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.858  -2.269   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.858  -1.444   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.143  -1.031   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.429  -1.444   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   17                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   12                                                      
CONECT   17    4   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   18                                                 
CONECT   24   22   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D08IOP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.841   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.841  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.127  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.412  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.412   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.127   0.825   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.556  -0.825   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.302   0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.127   0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.714   1.539   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.841   0.412   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.556   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.270   0.412   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       3.985   0.825   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       3.270  -0.412   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       4.699   0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       5.414   0.825   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       5.414   1.650   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       4.699   2.062   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.985   1.650   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       6.128   2.062   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.270  -0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.985  -0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.699  -0.412   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.414  -0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.414  -1.650   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.699  -2.062   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.985  -1.650   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1      -6.128  -2.062   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2   22                                                 
CONECT    8    9   10    5                                            
CONECT    9    8   10   11                                            
CONECT   10    9    8                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13   16   20                                            
CONECT   15   13                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   14                                                 
CONECT   21   18                                                      
CONECT   22    7   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D08IUE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.723   0.222   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.723  -0.603   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.438  -1.015   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       2.152  -0.603   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.152   0.222   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.438   0.635   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.009   0.635   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.706   0.222   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1       0.009   1.460   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.420   0.635   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.420   1.460   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.135   1.872   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.849   1.460   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.849   0.635   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.135   0.222   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.564   1.872   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -4.278   1.460   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -4.993   1.872   0.000  1.00  0.00          Cl  
HETATM   19  F   UNL     1      -4.862   0.876   0.000  1.00  0.00           F  
HETATM   20  F   UNL     1      -3.866   0.745   0.000  1.00  0.00           F  
HETATM   21  N   UNL     1       2.866  -1.015   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.953  -1.836   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.760  -2.007   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.172  -1.293   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.620  -0.680   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       4.993  -1.207   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       2.866   0.635   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       3.620   0.299   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1       4.172   0.912   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       3.760   1.627   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.953   1.455   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1       2.340   2.007   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   21                                            
CONECT    5    4    6   27                                            
CONECT    6    5    1                                                 
CONECT    7    1    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18   19   20                                       
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20   17                                                      
CONECT   21    4   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   21                                                 
CONECT   26   24                                                      
CONECT   27    5   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   27   32                                            
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D08IWT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.052   2.171   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.052   1.345   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.732   1.091   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.217   1.758   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.732   2.425   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.767   2.583   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.481   2.171   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.481   1.345   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.767   0.933   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -2.196   0.933   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.949   1.268   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.501   0.655   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.089  -0.059   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.282   0.113   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.669  -0.440   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.081  -1.154   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.669  -1.869   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.844  -1.869   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.431  -1.154   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.844  -0.440   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.987   0.306   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       1.794   0.134   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       2.346   0.748   0.000  1.00  0.00           O  
HETATM   24  N   UNL     1       2.049  -0.650   0.000  1.00  0.00           N  
HETATM   25  F   UNL     1      -2.081  -2.583   0.000  1.00  0.00           F  
HETATM   26  F   UNL     1      -0.431   0.275   0.000  1.00  0.00           F  
HETATM   27  C   UNL     1       1.564  -1.318   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.049  -1.985   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.834  -1.730   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.834  -0.905   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       3.501  -2.215   0.000  1.00  0.00           O  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   21                                            
CONECT    4    3    5                                                 
CONECT    5    4    1                                                 
CONECT    6    1    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10   15                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   25                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   26                                            
CONECT   21    3   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22                                                      
CONECT   24   22   27   30                                            
CONECT   25   17                                                      
CONECT   26   20                                                      
CONECT   27   24   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29   24                                                 
CONECT   31   29                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D08IZA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.296  -0.139   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.296  -0.964   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.010  -1.376   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.725  -0.964   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.725  -0.139   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       1.010   0.274   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.419   0.274   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.133  -0.139   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.133  -0.964   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.419  -1.376   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.010   1.099   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.725   1.511   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       2.439   1.099   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       3.154   1.511   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.154   2.336   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.439   2.749   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.725   2.336   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.848  -1.376   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.602  -1.041   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.154  -1.654   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1      -2.741  -2.368   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.934  -2.197   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.773  -0.234   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.321  -2.749   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.848   0.274   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.848   1.099   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       2.439   0.274   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   27                                            
CONECT    6    5    1   11                                            
CONECT    7    1    8                                                 
CONECT    8    7    9   25                                            
CONECT    9    8   10   18                                            
CONECT   10    9    2                                                 
CONECT   11    6   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    9   19   22                                            
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   18   24                                            
CONECT   23   19                                                      
CONECT   24   22                                                      
CONECT   25    8   26                                                 
CONECT   26   25                                                      
CONECT   27    5                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D08JES
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       1.143  -0.284   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       1.864  -0.686   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       2.572  -0.263   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       3.286  -0.675   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1       1.864  -1.511   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1       3.286  -1.500   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       4.001  -1.913   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       4.715  -1.500   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       4.715  -0.675   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       4.001  -0.263   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.124   0.541   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.401   0.937   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.304   0.508   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.304  -0.317   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.401  -0.713   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.019   0.921   0.000  1.00  0.00           C  
HETATM   17  S   UNL     1      -1.105   1.741   0.000  1.00  0.00           S  
HETATM   18  N   UNL     1      -1.912   1.913   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.324   1.198   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.772   0.585   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.121   0.985   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.705   1.568   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.502   1.354   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.715   0.557   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.132  -0.026   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.335   0.188   0.000  1.00  0.00           C  
CONECT    1    2   11   15                                            
CONECT    2    1    3    5                                            
CONECT    3    2    4                                                 
CONECT    4    3    6   10                                            
CONECT    5    2                                                      
CONECT    6    4    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    1   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14    1                                                 
CONECT   16   13   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   16                                                 
CONECT   21   19   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D08JHQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.706   1.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.706   1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.420   0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.135   1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.135   1.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.420   2.269   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.420  -0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.135  -0.619   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       2.849  -0.206   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       2.135  -1.444   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.420  -1.856   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.420  -2.681   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.135  -3.094   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.849  -2.681   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.849  -1.856   0.000  1.00  0.00           C  
HETATM   16 CL   UNL     1       1.420   3.094   0.000  1.00  0.00          Cl  
HETATM   17  N   UNL     1      -0.009   2.269   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.723   1.856   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.477   2.192   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.029   1.579   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.616   0.864   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.809   1.036   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.849   1.665   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.648   2.999   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.706  -1.444   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.009  -1.856   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.009  -2.681   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.706  -3.094   0.000  1.00  0.00           C  
CONECT    1    2    6   17                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   16                                            
CONECT    7    3    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11   15                                            
CONECT   11   10   12   25                                            
CONECT   12   11   13   28                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    6                                                      
CONECT   17    1   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   18                                                 
CONECT   23   20                                                      
CONECT   24   19                                                      
CONECT   25   11   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   12                                                 
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D08JII
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.390  -0.724   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.390  -1.549   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.325  -1.962   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.039  -1.549   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.039  -0.724   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.325  -0.311   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.754  -0.311   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.507  -0.647   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.059  -0.034   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.647   0.681   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.840   0.509   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       1.227   1.061   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.104  -1.962   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.858  -1.626   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.410  -2.239   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.997  -2.954   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.190  -2.782   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.113  -0.841   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.920  -0.670   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.472  -1.283   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.217  -2.067   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1      -1.561  -0.228   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.333  -3.707   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       3.472   0.681   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       2.561   1.501   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.228   1.986   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.142   2.806   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.388   3.142   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.721   2.657   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       1.807   1.837   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       0.967   2.993   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1       1.379   3.707   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       1.681   2.580   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       0.554   2.278   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   24   25                                       
CONECT   11   10    7   12                                            
CONECT   12   11                                                      
CONECT   13    2   14   17                                            
CONECT   14   13   15   18                                            
CONECT   15   14   16   21                                            
CONECT   16   15   17   23                                            
CONECT   17   16   13                                                 
CONECT   18   14   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   15                                                 
CONECT   22   18                                                      
CONECT   23   16                                                      
CONECT   24   10                                                      
CONECT   25   10   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29   25                                                 
CONECT   31   29   32   33   34                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D08JIS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  S   UNL     1       1.640   1.172   0.000  1.00  0.00           S  
HETATM    2  C   UNL     1       1.640   0.347   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.424   0.092   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.909   0.759   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.424   1.427   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       0.972  -0.138   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       0.219   0.197   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.449  -0.288   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       0.219   1.022   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       2.679  -0.693   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       3.486  -0.865   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1       2.127  -1.306   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.202   0.048   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.374   0.855   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1      -2.195   0.941   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1      -2.530   0.187   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.917  -0.365   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.315  -0.068   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.486  -0.875   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.873  -1.427   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.088  -1.172   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4   10                                            
CONECT    4    3    5                                                 
CONECT    5    4    1                                                 
CONECT    6    2    7                                                 
CONECT    7    6    8    9                                            
CONECT    8    7   13                                                 
CONECT    9    7                                                      
CONECT   10    3   11   12                                            
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13    8   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   13   21                                            
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   17                                                 
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D08JKR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  O   UNL     1      -1.854  -1.209   0.000  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.140  -0.797   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.426  -1.209   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.289  -0.797   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.289   0.028   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.426   0.441   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.140   0.028   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.003   0.441   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.718   0.028   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       2.432   0.441   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.432   1.266   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.718   1.678   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.003   1.266   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       3.217   0.186   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       3.702   0.853   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.217   1.521   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.426   1.266   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       3.629  -0.529   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.499   1.067   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.712   1.864   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       4.129   2.447   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       3.332   2.233   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.569  -0.797   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.283  -1.209   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.998  -0.797   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.712  -1.209   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.712  -2.034   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.998  -2.447   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.283  -2.034   0.000  1.00  0.00           C  
CONECT    1    2   23                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    7   17                                            
CONECT    7    6    2                                                 
CONECT    8    5    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15   18                                            
CONECT   15   14   16   19                                            
CONECT   16   15   11   22                                            
CONECT   17    6                                                      
CONECT   18   14                                                      
CONECT   19   15   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   16                                                 
CONECT   23    1   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D08JMZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  O   UNL     1      -1.497  -1.209   0.000  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.783  -0.797   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.068  -1.209   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.646  -0.797   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.646   0.028   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.068   0.441   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.783   0.028   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.361   0.441   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.075   0.028   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.790   0.441   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.790   1.266   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.075   1.678   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.361   1.266   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       3.574   0.186   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       4.059   0.853   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.574   1.521   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.068   1.266   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       3.987  -0.529   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.212  -0.797   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.926  -1.209   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.641  -0.797   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.355  -1.209   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.355  -2.034   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.641  -2.447   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.926  -2.034   0.000  1.00  0.00           N  
HETATM   26  F   UNL     1      -5.070  -2.447   0.000  1.00  0.00           F  
HETATM   27  C   UNL     1       4.856   1.067   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.070   1.864   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       4.486   2.447   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       3.689   2.233   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.903   1.436   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.486   1.280   0.000  1.00  0.00           C  
CONECT    1    2   19                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    7   17                                            
CONECT    7    6    2                                                 
CONECT    8    5    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15   18                                            
CONECT   15   14   16   27                                            
CONECT   16   15   11   30                                            
CONECT   17    6                                                      
CONECT   18   14                                                      
CONECT   19    1   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23                                                      
CONECT   27   15   28                                                 
CONECT   28   27   29   32                                            
CONECT   29   28   30                                                 
CONECT   30   29   16   31                                            
CONECT   31   30   32                                                 
CONECT   32   28   31                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D08JOC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.932   0.494   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.932  -0.331   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.218  -0.743   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.503  -0.331   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.503   0.494   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.218   0.907   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.218   1.732   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.503   2.144   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.503   2.969   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.218   3.382   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.932   2.969   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.932   2.144   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.789   3.382   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.074   2.969   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.074   2.144   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.360   1.732   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.355   2.144   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.355   2.969   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.360   3.382   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.069   1.732   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.069   0.907   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       0.355   0.494   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.784   0.494   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.784  -0.331   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.498  -0.743   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.213  -0.331   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.213   0.494   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.498   0.907   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       2.503  -1.732   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       3.218  -2.144   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.218  -2.969   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       3.932  -1.732   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       3.932  -3.382   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    9   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21                                                      
CONECT   23   21   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   30   25                                                 
CONECT   30   29   31   32                                            
CONECT   31   30   33                                                 
CONECT   32   30                                                      
CONECT   33   31                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D08JUU
  -OEChem-09301911252D

 46 50  0     0  0  0  0  0  0999 V2000
    4.0281   -2.0912    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7716    1.5099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1287   -0.1849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4859   -3.4892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371   -0.6899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8590   -0.4820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.4526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0822    2.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0338    2.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4958    3.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0355    3.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0850    4.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4394    0.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4859   -1.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5397   -2.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7966   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5397   -3.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4179    0.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0695   -2.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6737   -1.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7751   -0.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0858    0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6737   -3.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8076   -2.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8076   -3.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9416   -1.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3590   -1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4697    2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1617    2.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6505    2.8316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0358    3.6862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0344    2.8564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6520    3.7020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    4.3741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3382    4.6444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5486    4.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6105    1.5612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6895   -2.6844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6785   -4.0785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6737   -1.0644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1892   -1.1844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6924    0.3554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6737   -4.3044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2707   -3.4944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1122   -2.0189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  8  1  0  0  0  0
  2 13  1  0  0  0  0
  3 13  1  0  0  0  0
  3 16  2  0  0  0  0
  4 17  1  0  0  0  0
  4 19  1  0  0  0  0
  4 39  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  2  0  0  0  0
  6 27  2  0  0  0  0
  7 27  1  0  0  0  0
  7 45  1  0  0  0  0
  7 46  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 12  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 19  2  0  0  0  0
 15 17  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 23  1  0  0  0  0
 18 22  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 24  2  0  0  0  0
 20 40  1  0  0  0  0
 21 22  2  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 25  2  0  0  0  0
 23 43  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 44  1  0  0  0  0
M  END

$$$$
D08JWY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.353  -0.604   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.353  -1.429   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.067  -1.841   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.782  -1.429   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.782  -0.604   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       1.067  -0.191   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.432  -0.349   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.917  -1.016   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.432  -1.684   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.742  -1.016   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.155  -0.302   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.979  -0.302   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.392  -1.016   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.979  -1.731   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.155  -1.731   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.742   0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.392   0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.979   1.127   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.392   1.841   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.217   1.841   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.630   1.127   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.217   0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.496  -0.191   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       3.208  -0.603   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       3.920  -0.191   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.920   0.628   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       4.630   1.038   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   23                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   11                                                      
CONECT   17   12   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23    5   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D08KAH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.653   0.576   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.367   0.989   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.367   1.814   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.653   2.226   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.653   3.051   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.367   3.464   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.082   3.051   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.082   2.226   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.796   3.464   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.511   3.051   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.511   2.226   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.796   1.814   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.367   4.289   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1       0.062   1.814   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.653  -0.249   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.062  -0.661   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.062  -1.486   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.776  -1.899   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.491  -1.486   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.491  -0.661   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.776  -0.249   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.205  -1.899   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.291  -2.719   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.098  -2.891   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       3.511  -2.176   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       2.959  -1.563   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.739  -3.333   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.994  -4.117   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.801  -4.289   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.353  -3.675   0.000  1.00  0.00           C  
CONECT    1    2   15                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5   14                                            
CONECT    5    4    6                                                 
CONECT    6    5    7   13                                            
CONECT    7    6    8    9                                            
CONECT    8    7    3   12                                            
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    8                                                 
CONECT   13    6                                                      
CONECT   14    4                                                      
CONECT   15    1   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   19   23   26                                            
CONECT   23   22   24   27                                            
CONECT   24   23   25   30                                            
CONECT   25   24   26                                                 
CONECT   26   25   22                                                 
CONECT   27   23   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   24                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D08KCW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.742  -0.116   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.742  -0.941   0.000  1.00  0.00           C  
HETATM    3  S   UNL     1      -0.958  -1.196   0.000  1.00  0.00           S  
HETATM    4  C   UNL     1      -0.473  -0.529   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.958   0.139   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.703   0.923   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.082   1.178   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.082   2.003   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.703   2.258   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -1.188   1.591   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.749   2.488   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.410   0.368   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.410  -1.426   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.352  -0.529   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.764  -1.243   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.589  -1.243   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       0.352  -1.958   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.074  -1.911   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.819  -2.695   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       2.372  -3.308   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1       1.012  -2.867   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.745   1.122   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.231   0.455   0.000  1.00  0.00           C  
HETATM   24  F   UNL     1       1.503   2.152   0.000  1.00  0.00           F  
HETATM   25  F   UNL     1       0.663   3.308   0.000  1.00  0.00           F  
HETATM   26  F   UNL     1       1.417   2.973   0.000  1.00  0.00           F  
HETATM   27  C   UNL     1       2.895  -1.825   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.231  -1.071   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.745  -0.403   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.925  -0.490   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.129  -1.250   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.685  -1.101   0.000  1.00  0.00           C  
CONECT    1    2    5   12                                            
CONECT    2    1    3   13                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   14                                            
CONECT    5    4    1    6                                            
CONECT    6    5    7   10                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    6                                                 
CONECT   11    8   24   25   26                                       
CONECT   12    1   22   23                                            
CONECT   13    2                                                      
CONECT   14    4   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   18   30                                            
CONECT   17   15                                                      
CONECT   18   16   19   27                                            
CONECT   19   18   20   21                                            
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   12   23                                                 
CONECT   23   22   12                                                 
CONECT   24   11                                                      
CONECT   25   11                                                      
CONECT   26   11                                                      
CONECT   27   18   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   16   31                                            
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D08KKC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.023   0.362   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.023  -0.463   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.309  -0.875   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.594  -0.463   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.594   0.362   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.309   0.775   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.738   0.775   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.738   1.600   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.452   2.012   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.167   1.600   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -4.167   0.775   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.452   0.362   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.881   2.012   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.596   1.600   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.881   2.837   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.120  -0.875   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.835  -0.463   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.549  -0.875   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.264  -0.463   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.264   0.362   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.549   0.775   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       0.835   0.362   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1       3.048  -0.718   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       3.533  -0.050   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.048   0.617   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.358  -0.050   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       4.771   0.664   0.000  1.00  0.00           N  
HETATM   28  O   UNL     1       4.771  -0.765   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       4.358   1.379   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.596   0.664   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.303  -1.502   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.818  -2.170   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.303  -2.837   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.088  -2.582   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.088  -1.757   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16    4   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   19   24   31                                            
CONECT   24   23   25   26                                            
CONECT   25   24   20                                                 
CONECT   26   24   27   28                                            
CONECT   27   26   29   30                                            
CONECT   28   26                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
CONECT   31   23   32   35                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   31                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D08KYM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.265   0.084   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.440   0.080   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.027   0.794   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.798   0.794   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.053   1.579   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.385   2.064   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.282   1.579   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.210   0.080   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.035   0.080   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.448  -0.635   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.448   0.794   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.749   0.752   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.534   0.498   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.534  -0.327   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.749  -0.583   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.248   0.910   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.963   0.498   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.963  -0.327   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.248  -0.740   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.035  -1.349   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.448  -2.064   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.273  -2.064   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.685  -1.349   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.273  -0.635   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       3.685   0.080   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1       4.506   0.166   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       4.677   0.973   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.963   1.385   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       3.350   0.833   0.000  1.00  0.00           N  
HETATM   30  F   UNL     1      -4.677   0.910   0.000  1.00  0.00           F  
CONECT    1    2   12   15                                            
CONECT    2    1    3                                                 
CONECT    3    4    7    2                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    3                                                 
CONECT    8    9    4                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   20   24                                            
CONECT   11    9                                                      
CONECT   12    1   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   19                                            
CONECT   15   14    1                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18   30                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   10   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   10   25                                            
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   25                                                 
CONECT   30   17                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D08KYP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       3.220   1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       3.220   0.416   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       3.932   0.005   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       4.644   0.416   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       4.644   1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.932   1.649   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       5.356   0.005   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       6.068   0.416   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       6.068   1.238   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       5.356   1.649   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1       3.932   2.471   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       2.506   0.004   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.791   0.416   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.077   0.004   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.077  -0.821   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.791  -1.234   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.506  -0.821   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.362   0.416   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.352   0.004   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.067   0.416   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.781   0.004   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.781  -0.821   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.067  -1.234   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.352  -0.821   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       0.362   1.241   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1      -2.496  -1.234   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.210  -0.821   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.925  -1.234   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.925  -2.059   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.210  -2.471   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.496  -2.059   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.639  -2.471   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1      -5.354  -2.059   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1      -6.068  -2.471   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.354  -1.234   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   12                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    6                                                      
CONECT   12    2   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   14   19   25                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   18                                                      
CONECT   26   22   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   29   33                                                 
CONECT   33   32   34   35                                            
CONECT   34   33                                                      
CONECT   35   33                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D08LBW
  -OEChem-09301911172D

 55 58  0     1  0  0  0  0  0999 V2000
    7.2414    2.7913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1132    1.2946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2791   -1.2744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370   -1.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6908   -1.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370   -2.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5031   -1.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1072   -2.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6908   -3.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4870   -0.2398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3850    0.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3812    1.2880    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3691   -1.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5031   -3.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2871   -0.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5132    1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3691   -2.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6152    0.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5094    2.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2453    1.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1551    0.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7551   -0.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6037    1.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6414    3.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8833    0.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7319    1.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9418   -0.9096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1534   -1.1673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6463   -1.8666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6463   -2.6960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1534   -3.3952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9418   -3.6529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9193    0.9800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5031   -3.9013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9022    1.8899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3034    1.2012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9060   -3.0913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1204    2.6793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7192    3.3680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4630   -0.2743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6932    0.5718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8471    0.8019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7622   -0.8798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1370    1.5663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9494    3.8194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1033    3.5892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3335    2.7432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500   -0.0860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7248    2.3600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7772    3.1034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3038    2.2605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4595    2.0238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6962    1.1796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 52  1  0  0  0  0
  2 20  2  0  0  0  0
  3 13  2  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6  9  1  0  0  0  0
  6 14  1  0  0  0  0
  7 10  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 20  1  0  0  0  0
 12 35  1  0  0  0  0
 13 17  1  0  0  0  0
 14 17  2  0  0  0  0
 14 36  1  0  0  0  0
 15 21  1  0  0  0  0
 16 19  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 25  1  0  0  0  0
 22 45  1  0  0  0  0
 23 26  2  0  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 27  2  0  0  0  0
 25 50  1  0  0  0  0
 26 27  1  0  0  0  0
 26 51  1  0  0  0  0
 27 28  1  0  0  0  0
 28 53  1  0  0  0  0
 28 54  1  0  0  0  0
 28 55  1  0  0  0  0
M  END

$$$$
D08LBZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215  -0.412   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.644  -2.062   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.786  -0.412   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.786   0.412   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1      -1.072  -0.825   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1      -0.357  -0.412   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.357  -0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.072  -0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.786  -0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.501  -0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.501   0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.786   0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.072   0.412   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       3.215   0.825   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       3.930   0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.215   1.650   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.930   2.062   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.644   0.825   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16   20   21                                            
CONECT   20   19   23                                                 
CONECT   21   19   22                                                 
CONECT   22   21                                                      
CONECT   23   20                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D08LCQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.321   1.144   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.235   0.324   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.482  -0.011   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.814   0.473   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.900   1.294   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.654   1.629   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.007   0.302   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.595   1.016   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.147   1.629   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.595  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.770  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.358   0.302   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.770   1.016   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.358  -1.127   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.467  -1.127   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.879  -0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.467   0.302   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.770   1.841   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.056   1.429   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.007  -1.127   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1       1.704  -0.412   0.000  1.00  0.00           N  
HETATM   22 XX   UNL     1       0.879  -1.841   0.000  1.00  0.00          Xx  
HETATM   23  C   UNL     1       2.117  -1.127   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.941  -1.127   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.354  -0.412   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.941   0.302   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.117   0.302   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       4.179  -0.412   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       4.591  -1.127   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.416  -1.127   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       5.828  -0.412   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       5.416   0.302   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.591   0.302   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.075   1.480   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1      -5.828   1.815   0.000  1.00  0.00           N  
CONECT    1    2    6   34                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9   13                                            
CONECT    9    8    5                                                 
CONECT   10    7   11   20                                            
CONECT   11   10   12   14                                            
CONECT   12   11   13   17                                            
CONECT   13   12    8   18   19                                       
CONECT   14   11   15                                                 
CONECT   15   14   16   22                                            
CONECT   16   15   17   21                                            
CONECT   17   16   12                                                 
CONECT   18   13                                                      
CONECT   19   13                                                      
CONECT   20   10                                                      
CONECT   21   16   23   27                                            
CONECT   22   15                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   21                                                 
CONECT   28   25   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34    1   35                                                 
CONECT   35   34                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D08LIB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.905  -0.208   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.905  -1.033   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.191  -1.445   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.476  -1.033   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.476  -0.208   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.191   0.205   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.762  -1.445   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.047  -1.033   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.047  -0.208   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.762   0.205   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.667   0.205   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.667   1.030   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.047   1.442   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.762   1.030   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.452  -0.050   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.937   0.617   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.452   1.285   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.707   2.070   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.155   2.683   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.514   2.241   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.754   1.850   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.476   0.617   0.000  1.00  0.00           C  
HETATM   23  H   UNL     1      -1.476  -1.858   0.000  1.00  0.00           H  
HETATM   24  O   UNL     1      -3.619  -1.445   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.762  -2.270   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       0.667  -1.445   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.047  -2.683   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       3.619   0.271   0.000  1.00  0.00           O  
HETATM   29  S   UNL     1       3.036   0.854   0.000  1.00  0.00           S  
HETATM   30  O   UNL     1       3.619   1.438   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       2.453   0.271   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       2.453   1.438   0.000  1.00  0.00           O  
HETATM   33 NA   UNL     1       1.656   1.224   0.000  1.00  0.00          Na  
CONECT    1    2    6                                                 
CONECT    2    1    3   24                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7   23                                       
CONECT    5    4    6   10   22                                       
CONECT    6    5    1                                                 
CONECT    7    4    8   25                                            
CONECT    8    7    9   26                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12   15                                            
CONECT   12   11   13   17   21                                       
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   18                                            
CONECT   18   17   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   28                                                 
CONECT   21   12                                                      
CONECT   22    5                                                      
CONECT   23    4                                                      
CONECT   24    2                                                      
CONECT   25    7   27                                                 
CONECT   26    8                                                      
CONECT   27   25                                                      
CONECT   28   20   29                                                 
CONECT   29   28   30   31   32                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29   33                                                 
CONECT   33   32                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D08MBD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.316   0.544   0.000  1.00  0.00           C  
HETATM    2  O   UNL     1       1.030   0.956   0.000  1.00  0.00           O  
HETATM    3  C   UNL     1       1.744   0.544   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.459   0.956   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       3.213   0.621   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       3.765   1.234   0.000  1.00  0.00           N  
HETATM    7  O   UNL     1       3.352   1.948   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       2.545   1.777   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.384  -0.186   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.771  -0.738   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.942  -1.545   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.727  -1.800   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       4.340  -1.248   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.169  -0.441   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.932   2.329   0.000  1.00  0.00           C  
HETATM   16 CL   UNL     1       1.986  -0.483   0.000  1.00  0.00          Cl  
HETATM   17 CL   UNL     1       4.782   0.111   0.000  1.00  0.00          Cl  
HETATM   18  C   UNL     1       1.677   3.113   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.125   2.500   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.399   0.956   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.113   0.544   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.113  -0.281   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.399  -0.694   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.316  -0.281   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.070   0.264   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.593  -0.038   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.825  -0.692   0.000  1.00  0.00           C  
HETATM   28  S   UNL     1      -2.579  -0.357   0.000  1.00  0.00           S  
HETATM   29  C   UNL     1      -3.131  -0.970   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.719  -1.684   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -1.912  -1.513   0.000  1.00  0.00           N  
HETATM   32  O   UNL     1      -1.832  -0.089   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -3.956  -0.970   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.369  -1.684   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.956  -2.399   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.131  -2.399   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1      -2.719  -3.113   0.000  1.00  0.00           F  
HETATM   38  C   UNL     1      -4.782  -1.682   0.000  1.00  0.00           C  
HETATM   39  O   UNL     1      -4.369  -0.968   0.000  1.00  0.00           O  
HETATM   40  O   UNL     1      -4.369  -2.397   0.000  1.00  0.00           O  
CONECT    1    2   20   24                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    9                                            
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    4   15                                            
CONECT    9    5   10   14                                            
CONECT   10    9   11   16                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9   17                                            
CONECT   15    8   18   19                                            
CONECT   16   10                                                      
CONECT   17   14                                                      
CONECT   18   15   19                                                 
CONECT   19   18   15                                                 
CONECT   20    1   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23   27   32                                       
CONECT   23   22   24   26                                            
CONECT   24   23    1                                                 
CONECT   25   21   26                                                 
CONECT   26   25   23                                                 
CONECT   27   22   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30   33                                            
CONECT   30   29   31   36                                            
CONECT   31   30   27                                                 
CONECT   32   22                                                      
CONECT   33   29   34                                                 
CONECT   34   33   35   38                                            
CONECT   35   34   36                                                 
CONECT   36   35   30   37                                            
CONECT   37   36                                                      
CONECT   38   34   39   40                                            
CONECT   39   38                                                      
CONECT   40   38                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D08MXO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.379   0.140   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.379  -0.685   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.665  -1.097   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.950  -0.685   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.950   0.140   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.665   0.553   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.166  -0.940   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.681  -0.272   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.166   0.395   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.911   1.180   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.463   1.793   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1      -0.104   1.351   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.151   2.136   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.958   2.308   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.510   1.695   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.317   1.866   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       2.572   2.651   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.020   3.264   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.213   3.092   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.379   2.822   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       1.255   0.910   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       0.144  -0.272   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.911  -1.724   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.463  -2.337   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.104  -1.896   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.270  -2.166   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.822  -2.779   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.567  -3.563   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.760  -3.735   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.208  -3.122   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       1.037   3.521   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       0.240   3.735   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   23                                            
CONECT    8    7    9   22                                            
CONECT    9    8    5   10                                            
CONECT   10    9   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16   21                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14   31                                            
CONECT   20   17                                                      
CONECT   21   15                                                      
CONECT   22    8                                                      
CONECT   23    7   24   25                                            
CONECT   24   23   26   30                                            
CONECT   25   23                                                      
CONECT   26   24   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   24                                                 
CONECT   31   19   32                                                 
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D08MYA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.401   0.314   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.401  -0.511   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.686  -0.924   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.972  -0.511   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.972   0.314   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.686   0.726   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.115  -0.924   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.257   0.726   0.000  1.00  0.00           C  
HETATM    9  H   UNL     1      -0.257   1.551   0.000  1.00  0.00           H  
HETATM   10  N   UNL     1       0.457   0.314   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.457  -0.511   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.257  -0.924   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       1.172  -0.924   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.172   0.726   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.886   0.314   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.601   0.726   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.601   1.551   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.886   1.964   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.172   1.551   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.315   0.314   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.030   0.726   0.000  1.00  0.00           C  
HETATM   22  F   UNL     1      -1.686   1.551   0.000  1.00  0.00           F  
HETATM   23  C   UNL     1      -3.830  -0.511   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.544  -0.924   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.544  -1.749   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.830  -2.162   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.115  -1.749   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.172  -1.749   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.886  -2.162   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.601  -1.749   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.601  -0.924   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.886  -0.511   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1       1.886   2.788   0.000  1.00  0.00           F  
HETATM   34  C   UNL     1      -5.329  -0.669   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1      -5.814  -1.337   0.000  1.00  0.00           N  
HETATM   36  N   UNL     1      -5.329  -2.004   0.000  1.00  0.00           N  
HETATM   37  C   UNL     1      -5.584  -2.788   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       4.385   0.107   0.000  1.00  0.00           C  
HETATM   39  O   UNL     1       3.670  -0.305   0.000  1.00  0.00           O  
HETATM   40  O   UNL     1       5.099  -0.305   0.000  1.00  0.00           O  
HETATM   41  C   UNL     1       5.814   0.107   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1   22                                            
CONECT    7    2   23   27                                            
CONECT    8    5    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11   14                                            
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   28   32                                            
CONECT   14   10   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   33                                            
CONECT   19   18   14                                                 
CONECT   20   16   21                                                 
CONECT   21   20   38                                                 
CONECT   22    6                                                      
CONECT   23    7   24                                                 
CONECT   24   23   25   34                                            
CONECT   25   24   26   36                                            
CONECT   26   25   27                                                 
CONECT   27   26    7                                                 
CONECT   28   13   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   13                                                 
CONECT   33   18                                                      
CONECT   34   24   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   25   37                                            
CONECT   37   36                                                      
CONECT   38   21   39   40                                            
CONECT   39   38                                                      
CONECT   40   38   41                                                 
CONECT   41   40                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D08NGV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.868  -1.321   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.868  -2.146   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.154  -2.559   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.439  -2.146   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.439  -1.321   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.154  -0.909   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.725  -0.909   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.010  -1.321   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.296  -0.909   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.296  -0.084   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.010   0.329   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.725  -0.084   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.419   0.329   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.133  -0.084   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.419   1.154   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.296   1.566   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.133   1.566   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.419   1.979   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.848   1.154   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       1.133   2.391   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.562   1.566   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.316   1.231   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.868   1.844   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.455   2.559   0.000  1.00  0.00           C  
HETATM   25  S   UNL     1       2.649   2.387   0.000  1.00  0.00           S  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   16   17   18                                       
CONECT   16   15                                                      
CONECT   17   15   19   20                                            
CONECT   18   15                                                      
CONECT   19   17   21                                                 
CONECT   20   17                                                      
CONECT   21   19   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D08NHT
  -OEChem-09301911212D

 56 59  0     1  0  0  0  0  0999 V2000
    3.7320    3.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    3.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    1.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.3170    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4641    3.3170    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9641    4.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3309   -2.5225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0257    3.7554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9025    3.7554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4390    4.5815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4892    4.5815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6494   -3.3370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1244   -4.1596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3397   -4.1596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147   -3.3370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.1004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -1.7907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.6270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7331    3.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101   -4.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501   -4.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.8539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.7801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522   -3.7200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -3.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722   -2.6461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 14  1  0  0  0  0
  2 44  1  0  0  0  0
  3 14  2  0  0  0  0
  4 18  1  0  0  0  0
  4 28  1  0  0  0  0
  5 12  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  8 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 15  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 24  1  0  0  0  0
 22 45  1  0  0  0  0
 23 25  2  0  0  0  0
 23 46  1  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
 25 47  1  0  0  0  0
 26 29  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
 29 56  1  0  0  0  0
M  END

$$$$
D08NNH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.471   0.570   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.471  -0.255   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.756  -0.668   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.042  -0.255   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.042   0.570   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.756   0.982   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.257  -0.510   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.228   0.157   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.257   0.825   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -1.756  -1.493   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.002   1.609   0.000  1.00  0.00           C  
HETATM   12  S   UNL     1      -2.471  -1.905   0.000  1.00  0.00           S  
HETATM   13  C   UNL     1      -2.058  -2.620   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.185  -2.318   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1      -2.883  -1.191   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       0.211   2.406   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.008   2.620   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.795   1.396   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.799   1.823   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.013   2.620   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.383   1.239   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       1.008   0.599   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.805   0.385   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.388   0.969   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.175   1.766   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.378   1.979   0.000  1.00  0.00           C  
HETATM   27 CL   UNL     1       3.185   0.755   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   10                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   11                                            
CONECT   10    3   12                                                 
CONECT   11    9   16   18   19                                       
CONECT   12   10   13   14   15                                       
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15   12                                                      
CONECT   16   11   17                                                 
CONECT   17   16                                                      
CONECT   18   11   22   26                                            
CONECT   19   11   20   21                                            
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   18   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   18                                                 
CONECT   27   24                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D08OEW
  -OEChem-09301911182D

 53 55  0     0  0  0  0  0  0999 V2000
    2.5369   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810   -3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796   -2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249   -1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264   -1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471   -1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456   -1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0666    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9326   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7297   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5957    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7987    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7532   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3732    0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 37  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 38  1  0  0  0  0
  3 13  2  0  0  0  0
  3 15  1  0  0  0  0
  4 15  1  0  0  0  0
  4 18  1  0  0  0  0
  4 44  1  0  0  0  0
  5 15  2  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 24  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 39  1  0  0  0  0
 17 21  2  0  0  0  0
 18 19  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 22  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 23  1  0  0  0  0
 21 47  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 25  2  0  0  0  0
 23 51  1  0  0  0  0
 24 25  1  0  0  0  0
 24 52  1  0  0  0  0
 25 53  1  0  0  0  0
M  END

$$$$
D08OKB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.246  -2.460   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.246  -3.285   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.531  -3.698   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.817  -3.285   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.817  -2.460   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.531  -2.048   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.103  -2.048   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.531  -2.873   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.658  -1.746   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.071  -2.460   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.103  -1.223   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.388  -0.810   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.388   0.015   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       0.326  -1.223   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1       0.326   0.427   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       0.326   1.252   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.388   1.665   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.103   1.252   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.103   0.427   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.111   0.172   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.596   0.840   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.111   1.507   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.421   0.840   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.833   1.554   0.000  1.00  0.00           N  
HETATM   25  O   UNL     1       2.833   0.125   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       3.658   1.554   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.071   2.269   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.658   2.983   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.833   2.983   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.421   2.269   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       4.071   3.698   0.000  1.00  0.00           F  
CONECT    1    2    6    9   10                                       
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1    8                                            
CONECT    7    5   11                                                 
CONECT    8    6    2                                                 
CONECT    9    1                                                      
CONECT   10    1                                                      
CONECT   11    7   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   15   19                                            
CONECT   14   12                                                      
CONECT   15   13   16   20                                            
CONECT   16   15   17   22                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   13                                                 
CONECT   20   15   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   16                                                 
CONECT   23   21   24   25                                            
CONECT   24   23   26   30                                            
CONECT   25   23                                                      
CONECT   26   24   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   24                                                 
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D08OXH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  O   UNL     1      -5.836  -2.864   0.000  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.122  -3.277   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.408  -2.864   0.000  1.00  0.00           C  
HETATM    4  O   UNL     1      -3.693  -3.277   0.000  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.979  -2.864   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.122  -4.102   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.264  -3.277   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.550  -2.864   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.550  -2.039   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.264  -1.627   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.979  -2.039   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.835  -3.277   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.121  -2.864   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.121  -2.039   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.835  -1.627   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.835  -0.802   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.121  -0.389   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.594  -0.802   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.308  -0.389   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.308   0.436   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.594   0.848   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.121   0.436   0.000  1.00  0.00           C  
HETATM   23  F   UNL     1      -0.835   0.848   0.000  1.00  0.00           F  
HETATM   24  N   UNL     1       2.023   0.848   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       2.737   0.436   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.452   0.848   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       2.737  -0.389   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       4.205   0.513   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       4.757   1.126   0.000  1.00  0.00           N  
HETATM   30  N   UNL     1       4.345   1.840   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       3.538   1.669   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       2.925   2.221   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       5.578   1.040   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.377  -0.294   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.680   2.594   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       5.501   2.680   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       5.836   3.434   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       5.352   4.102   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       4.531   4.015   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       4.196   3.262   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    7   11                                            
CONECT    6    2                                                      
CONECT    7    5    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10   15                                            
CONECT   10    9   11                                                 
CONECT   11   10    5                                                 
CONECT   12    8   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    9   16                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   17   23                                            
CONECT   23   22                                                      
CONECT   24   20   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   28   31                                            
CONECT   27   25                                                      
CONECT   28   26   29   34                                            
CONECT   29   28   30   33                                            
CONECT   30   29   31   35                                            
CONECT   31   30   26   32                                            
CONECT   32   31                                                      
CONECT   33   29                                                      
CONECT   34   28                                                      
CONECT   35   30   36   40                                            
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   35                                                 
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D08PHH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.089  -1.030   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.089  -1.855   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.375  -2.267   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.660  -1.855   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.660  -1.030   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.375  -0.617   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -4.803  -2.267   0.000  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -1.946  -0.617   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.231  -1.030   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.517  -0.617   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.517   0.208   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.231   0.620   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.946   0.208   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.198  -1.030   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.284  -1.850   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.091  -2.022   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.504  -1.307   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.952  -0.694   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.329  -1.307   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.741  -2.022   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.566  -2.022   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       3.978  -1.307   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.566  -0.593   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.741  -0.593   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       4.803  -1.307   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.231   1.445   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -0.409   1.445   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -1.231   2.267   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -2.053   1.445   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   26   11   13                                            
CONECT   13   12    8                                                 
CONECT   14   10   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   14                                                 
CONECT   19   17   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22                                                      
CONECT   26   27   28   29   12                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D08PQU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.670  -1.214   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.670  -2.039   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.955  -2.451   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.241  -2.039   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.241  -1.214   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.955  -0.801   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.526  -0.801   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.526  -2.451   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.812  -1.214   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.097  -0.801   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.656  -1.137   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.208  -0.524   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.796   0.191   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.011   0.019   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.526   0.024   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.131   0.944   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.029  -0.610   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.952   1.030   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.287   1.784   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.802   2.451   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.982   2.365   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.646   1.612   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.364  -1.364   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.185  -1.450   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.670  -0.783   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.334  -0.029   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.514   0.057   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    9   15                                            
CONECT    8    4                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   16                                            
CONECT   14   13   10                                                 
CONECT   15    7                                                      
CONECT   16   13   18   22                                            
CONECT   17   12   23   27                                            
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   16                                                 
CONECT   23   17   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   17                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D08PXF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.834  -1.460   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.834  -2.285   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.120  -2.697   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.405  -2.285   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.405  -1.460   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.120  -1.047   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.549  -2.697   0.000  1.00  0.00           N  
HETATM    8  S   UNL     1       0.309  -2.697   0.000  1.00  0.00           S  
HETATM    9  C   UNL     1       1.024  -2.285   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.738  -2.697   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.453  -2.285   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.453  -1.460   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.738  -1.047   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.024  -1.460   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       3.167  -1.047   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       3.882  -1.460   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.882  -2.285   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       4.596  -1.047   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       5.311  -1.460   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.374  -2.697   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.858  -2.030   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.643  -2.285   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.643  -3.110   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1      -3.858  -3.365   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.311  -1.800   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.120  -0.222   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.405   0.190   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.405   1.015   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.120   1.428   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.834   1.015   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.834   0.190   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.452   1.913   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.707   2.697   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1      -1.532   2.697   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1      -1.787   1.913   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.017   3.365   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   26                                            
CONECT    7    2   20                                                 
CONECT    8    4    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18                                                      
CONECT   20    7   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   20                                                 
CONECT   25   22                                                      
CONECT   26    6   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32   35                                       
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   29   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   36                                            
CONECT   35   34   29                                                 
CONECT   36   34                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D08PYU
  -OEChem-09301911282D

 45 46  0     0  0  0  0  0  0999 V2000
    8.9578    0.3536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.3535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.3536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.1464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.8536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0918   -0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8330   -1.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1259    0.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6899    1.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6899    0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8239   -0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6899    2.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6899    1.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6899    1.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5559   -0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8239   -1.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5559   -1.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6899   -1.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0109    0.4682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6725   -1.7112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4319   -1.2728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2864    0.7112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5270    0.2728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -0.3786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -0.3786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3099    2.3535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6899    2.9736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0699    2.3535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6899    0.7336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3099    1.3536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6899    1.9736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6899    1.9736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0699    1.3536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6899    0.7336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0928    0.1636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869   -1.4564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -1.8285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -1.8285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0928   -1.4564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6899   -2.2664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 12  1  0  0  0  0
  2 10  2  0  0  0  0
  3 22  1  0  0  0  0
  3 45  1  0  0  0  0
  4 22  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  2  0  0  0  0
 13 19  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 20  1  0  0  0  0
 17 39  1  0  0  0  0
 18 21  1  0  0  0  0
 18 40  1  0  0  0  0
 19 22  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  2  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
M  END

$$$$
D08QBO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.158  -1.348   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       1.872  -1.760   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       2.587  -1.348   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       2.587  -0.523   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       1.872  -0.111   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.158  -0.523   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.373  -0.268   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.112  -0.935   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1       0.373  -1.603   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1      -0.039   0.446   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.937  -0.935   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.349  -0.221   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -1.349  -1.650   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.174  -1.650   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.587  -2.365   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.872   0.715   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       2.587   1.127   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.587   1.952   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.872   2.365   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.158   1.952   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.158   1.127   0.000  1.00  0.00           C  
CONECT    1    2    6    9                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   16                                            
CONECT    6    5    1    7                                            
CONECT    7    6    8   10                                            
CONECT    8    7    9   11                                            
CONECT    9    8    1                                                 
CONECT   10    7                                                      
CONECT   11    8   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14                                                      
CONECT   16    5   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D08QGR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.135  -0.084   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.135  -0.908   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.420  -1.321   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.706  -0.908   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.706  -0.084   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.420   0.329   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       0.009   0.329   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.762  -0.007   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.314   0.607   0.000  1.00  0.00           C  
HETATM   10  S   UNL     1       0.902   1.321   0.000  1.00  0.00           S  
HETATM   11  S   UNL     1       0.095   1.149   0.000  1.00  0.00           S  
HETATM   12  S   UNL     1       2.135   0.520   0.000  1.00  0.00           S  
HETATM   13  C   UNL     1       0.934  -0.814   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   11                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10   12                                            
CONECT   10    9   11                                                 
CONECT   11   10    7                                                 
CONECT   12    9                                                      
CONECT   13    8                                                      
MASTER        0    0    0    0    0    0    0    0   13    0   13    0
END
M  END

$$$$
D08QMJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.003  -1.727   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.178  -1.727   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.765  -1.013   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.178  -0.298   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.003  -0.298   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.415  -1.013   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.940  -1.013   0.000  1.00  0.00           O  
HETATM    8  N   UNL     1      -0.108   0.275   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.108  -0.550   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.606  -0.962   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.321  -0.550   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.321   0.275   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.606   0.688   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1       2.106  -0.805   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       2.590  -0.137   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.106   0.530   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.361   1.315   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       3.415  -0.137   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.361  -1.589   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.075   1.727   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    9                                                 
CONECT    8    9   13                                                 
CONECT    9    8   10    7                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13   16                                            
CONECT   13   12    8                                                 
CONECT   14   11   15   19                                            
CONECT   15   14   16   18                                            
CONECT   16   15   12   17                                            
CONECT   17   16   20                                                 
CONECT   18   15                                                      
CONECT   19   14                                                      
CONECT   20   17                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D08RCV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.715   0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.715  -0.412   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.000  -0.825   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.715  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.715   0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.000   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.429  -0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.143  -0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.858  -0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.858  -1.650   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.143  -2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.429  -1.650   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -3.572   2.062   0.000  1.00  0.00          Cl  
HETATM   20 CL   UNL     1      -0.715  -2.062   0.000  1.00  0.00          Cl  
HETATM   21  N   UNL     1       1.429  -0.825   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.143  -0.412   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.143   0.412   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.429   0.825   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.858  -0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.572  -0.412   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.858  -1.650   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.572  -1.238   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.429   1.650   0.000  1.00  0.00           C  
CONECT    1    2    6   19                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   21                                            
CONECT   11   10   12   24                                            
CONECT   12   11    7                                                 
CONECT   13    8   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13   20                                            
CONECT   19    1                                                      
CONECT   20   18                                                      
CONECT   21   10   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   11   29                                            
CONECT   25   22   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
CONECT   29   24                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D08RET
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.015  -0.797   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.015  -1.622   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.301  -2.035   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.586  -1.622   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.586  -0.797   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.301  -0.385   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.872  -0.385   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.301   0.437   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.730  -0.385   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.730   0.440   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.444   0.853   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.159   0.440   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.159  -0.385   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.444  -0.797   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.157  -0.797   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.555  -0.386   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.157  -1.619   0.000  1.00  0.00           O  
HETATM   18  S   UNL     1       1.308  -0.722   0.000  1.00  0.00           S  
HETATM   19  C   UNL     1       1.860  -0.109   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.448   0.606   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.641   0.434   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.685  -0.109   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       3.098   0.606   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       3.923   0.606   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.335   1.320   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.923   2.035   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.098   2.035   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.685   1.320   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.746  -0.107   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       3.921  -0.107   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       5.159   0.608   0.000  1.00  0.00           O  
CONECT    1    2    6    9                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1    8                                            
CONECT    7    5   15                                                 
CONECT    8    6                                                      
CONECT    9    1   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    7   16   17                                            
CONECT   16   15   18   21                                            
CONECT   17   15                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   19   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   24   30   31                                            
CONECT   30   29                                                      
CONECT   31   29                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D08RPE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.880  -2.707   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.055  -2.707   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.357  -1.993   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.055  -1.278   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.880  -1.278   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.293  -1.993   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.357  -0.564   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.055   0.150   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.880   0.150   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.293  -0.564   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.118  -0.564   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.182  -0.564   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.530   0.150   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.595  -1.278   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.420  -1.278   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.832  -0.564   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.420   0.150   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.595   0.150   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.118   0.865   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.530   1.579   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.355   1.579   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.768   0.865   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.355   0.150   0.000  1.00  0.00           C  
HETATM   24  S   UNL     1      -3.768   2.295   0.000  1.00  0.00           S  
HETATM   25  O   UNL     1      -3.053   2.707   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1      -3.355   1.580   0.000  1.00  0.00           O  
HETATM   27  N   UNL     1      -4.482   1.882   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       3.657  -0.564   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1       3.657   0.261   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1       4.482  -0.564   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1       3.657  -1.389   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   13                                                 
CONECT   12    7   14   18                                            
CONECT   13   11   19   23                                            
CONECT   14   12   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   28                                            
CONECT   17   16   18                                                 
CONECT   18   17   12                                                 
CONECT   19   13   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   13                                                 
CONECT   24   21   25   26   27                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
CONECT   28   16   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D08RTY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.294   0.584   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.119   0.584   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.531   1.299   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.119   2.013   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.294   2.013   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.881   1.299   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.357   1.299   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.057   1.299   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.428   1.966   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.213   1.711   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.213   0.886   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.428   0.631   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.927   2.124   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.642   1.711   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.642   0.886   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.927   0.474   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.927   2.949   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.357   0.474   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.173  -0.153   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.726  -0.766   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.471  -1.551   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1      -1.532  -0.595   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.023  -2.164   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.336  -1.723   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.768  -2.949   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.591  -2.507   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    3                                                      
CONECT    8    6    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12   16                                            
CONECT   12   11    8   19                                            
CONECT   13   10   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   11                                                 
CONECT   17   13                                                      
CONECT   18   15                                                      
CONECT   19   12   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   23   24                                            
CONECT   22   20                                                      
CONECT   23   21   25                                                 
CONECT   24   21   26                                                 
CONECT   25   23                                                      
CONECT   26   24                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D08RUK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.301  -0.998   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.301  -1.823   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.587  -2.235   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.872  -1.823   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.872  -0.998   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.587  -0.585   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.158  -2.235   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.443  -1.823   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.443  -0.998   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.158  -0.585   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.271  -0.585   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.271   0.240   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.443   0.652   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.158   0.240   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.056  -0.840   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.541  -0.173   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.056   0.495   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.366  -0.173   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.778  -0.887   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.603  -0.887   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.016  -0.173   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.603   0.542   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.778   0.542   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.016  -2.235   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.872  -0.173   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.271   1.065   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.311   1.279   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.118   1.451   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       2.373   2.235   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       0.759   1.892   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       1.853   0.708   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   24                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10   25                                       
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12   15                                            
CONECT   12   11   13   17   26                                       
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   12   27   31                                       
CONECT   18   16   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24    2                                                      
CONECT   25    5                                                      
CONECT   26   12                                                      
CONECT   27   17   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28                                                      
CONECT   30   27                                                      
CONECT   31   17                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END

$$$$

$$$$

$$$$
D08SDJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.133   2.062   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.133   1.238   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.419   0.825   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.296   1.238   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.296   2.062   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.419   2.475   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1      -1.848   2.475   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.562   2.062   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1       1.010   2.475   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1       1.725   2.062   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.725   1.238   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.439   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.154   1.238   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.154   2.062   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.439   2.475   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.868   0.825   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1      -0.419   0.000   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.133  -0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.133  -1.238   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.419  -1.650   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.296  -1.238   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.296  -0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.419  -2.475   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.316   2.398   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.868   1.785   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.455   1.071   0.000  1.00  0.00           C  
HETATM   27  S   UNL     1      -2.648   1.242   0.000  1.00  0.00           S  
HETATM   28  C   UNL     1      -3.791   0.317   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   17                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7   24   27                                            
CONECT    9    5   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13                                                      
CONECT   17    3   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   20                                                      
CONECT   24    8   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26    8                                                 
CONECT   28   26                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D08SEP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143   0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715   0.000   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715   0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429   1.238   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.715   0.000   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.715   0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.000   1.238   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.429  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.143   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.143   0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.429   1.238   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.000   2.062   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       0.000  -1.238   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1       1.429   2.062   0.000  1.00  0.00           O  
HETATM   18  S   UNL     1      -1.429  -1.238   0.000  1.00  0.00           S  
HETATM   19  N   UNL     1      -2.143  -1.650   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1      -1.429  -2.062   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.715  -1.650   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   18                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   16                                            
CONECT    8    7    9   11                                            
CONECT    9    8   10   14                                            
CONECT   10    9    5   15                                            
CONECT   11    8   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9   17                                            
CONECT   15   10                                                      
CONECT   16    7                                                      
CONECT   17   14                                                      
CONECT   18    3   19   20   21                                       
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   18                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D08SFW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143  -0.222   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -1.047   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.428  -1.460   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.714  -1.047   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.714  -0.222   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.428   0.190   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.001  -1.460   0.000  1.00  0.00           C  
HETATM    8 CL   UNL     1      -1.428  -2.285   0.000  1.00  0.00          Cl  
HETATM    9  N   UNL     1       0.715  -1.047   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.429  -1.460   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.144  -1.047   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.144  -0.222   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.429   0.190   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.715  -0.222   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       2.858  -1.460   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       3.573  -1.047   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       3.573  -0.222   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       2.858   0.190   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.858   1.015   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.526   1.500   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.271   2.285   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.446   2.285   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1       2.191   1.500   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.429  -2.285   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       0.001  -2.285   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.858  -1.460   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -2.446  -2.174   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -3.573  -1.872   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -3.271  -0.745   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   26                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    9   25                                            
CONECT    8    3                                                      
CONECT    9    7   10   14                                            
CONECT   10    9   11   24                                            
CONECT   11   10   12   15                                            
CONECT   12   11   13   18                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   12   19                                            
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   19                                                 
CONECT   24   10                                                      
CONECT   25    7                                                      
CONECT   26    2   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D08SLP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.518  -1.071   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.518  -1.895   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.803  -2.308   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.089  -1.895   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.089  -1.071   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.803  -0.658   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.374  -2.308   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.660  -1.895   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.660  -1.071   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.374  -0.658   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.055  -0.658   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.055   0.167   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1       0.769  -1.071   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.722   0.652   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.467   1.437   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.358   1.437   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.613   0.652   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.507   0.397   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.120   0.949   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       0.055  -2.308   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.905   0.694   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.518   1.246   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.346   2.053   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.562   2.308   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.948   1.756   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   20                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12   13                                            
CONECT   12   11   14   17                                            
CONECT   13   11                                                      
CONECT   14   12   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   14   19                                                 
CONECT   19   18   21   25                                            
CONECT   20    8                                                      
CONECT   21   19   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   19                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D08SLU
  -OEChem-09301911222D

 60 64  0     0  0  0  0  0  0999 V2000
   12.8773    3.8568    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.9171    0.7471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0693   -2.9387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1570    0.4684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5693   -0.3407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1081   -0.8407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0693   -1.2067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5693   -0.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0693    0.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0693   -1.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1570   -1.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693    0.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693   -1.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1081    0.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5693   -0.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8480    1.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0693   -1.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5172    2.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8699    1.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2081    3.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5609    2.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2300    3.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5693   -2.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5693   -2.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0693   -2.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0693   -1.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0693   -2.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5693   -2.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0693   -1.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5624   -3.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5278   -2.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5208   -3.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6519    0.7374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9616    1.1360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9616   -1.8173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6519   -1.4187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6201   -1.4597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4092   -1.7161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1769    1.1360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4866    0.7374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4866   -1.4187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1769   -1.8173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6097   -1.2051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6769    0.2699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9866   -0.1286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9616   -1.8173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6519   -1.4187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1236    2.0337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4550    1.1666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7593   -0.6697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9544    2.7073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0384    3.9112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3793   -3.4757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3793   -0.6697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7593   -0.6697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8786   -4.3820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2240   -1.5162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2129   -4.3949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -2.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 14  2  0  0  0  0
  3 23  2  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  4 16  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  6 11  1  0  0  0  0
  6 14  1  0  0  0  0
  6 44  1  0  0  0  0
  7 17  1  0  0  0  0
  7 23  1  0  0  0  0
  7 51  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 13  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 15 17  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 20  1  0  0  0  0
 18 49  1  0  0  0  0
 19 21  2  0  0  0  0
 19 50  1  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 21 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 54  1  0  0  0  0
 26 29  2  0  0  0  0
 26 55  1  0  0  0  0
 27 28  1  0  0  0  0
 27 30  2  0  0  0  0
 28 29  1  0  0  0  0
 28 31  2  0  0  0  0
 29 56  1  0  0  0  0
 30 32  1  0  0  0  0
 30 57  1  0  0  0  0
 31 33  1  0  0  0  0
 31 58  1  0  0  0  0
 32 33  2  0  0  0  0
 32 59  1  0  0  0  0
 33 60  1  0  0  0  0
M  END

$$$$
D08SMT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.785  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.785  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.070  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.356  -1.031   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.356  -0.206   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.070   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.499  -1.444   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.358   0.206   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       1.073  -0.206   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1       0.358   1.031   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.787   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.502  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.216   0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.216   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.502   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.787   1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.214  -1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.214  -0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.928   0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.643  -0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.643  -1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.928  -1.444   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.931  -0.206   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       4.643  -0.617   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2   17                                                 
CONECT    8    5    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   23   12   14                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    7   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   24   13                                                 
CONECT   24   23                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D08SNH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429   0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.000  -1.444   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.715  -1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.715  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.000   0.206   0.000  1.00  0.00           C  
HETATM   11 CL   UNL     1      -2.858   0.206   0.000  1.00  0.00          Cl  
HETATM   12  N   UNL     1       1.429  -1.444   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.143  -1.031   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       2.143  -0.206   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.429   0.206   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.756   0.346   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       2.421   1.099   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.601   1.013   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.429  -2.269   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.143  -2.681   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.858  -1.444   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.858  -2.269   0.000  1.00  0.00           C  
HETATM   23  S   UNL     1       2.833   1.814   0.000  1.00  0.00           S  
HETATM   24  C   UNL     1       0.000   1.031   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.715   1.444   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.715   2.269   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.000   2.681   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.715   2.269   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.715   1.444   0.000  1.00  0.00           C  
CONECT    1    2    6   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10   15                                            
CONECT   10    9    5   24                                            
CONECT   11    1                                                      
CONECT   12    8   13   19                                            
CONECT   13   12   21                                                 
CONECT   14   15   16                                                 
CONECT   15   14    9   18                                            
CONECT   16   14   17                                                 
CONECT   17   16   18   23                                            
CONECT   18   17   15                                                 
CONECT   19   12   20                                                 
CONECT   20   19   22                                                 
CONECT   21   13   22                                                 
CONECT   22   20   21                                                 
CONECT   23   17                                                      
CONECT   24   10   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D08SNJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.300  -1.786   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.888  -2.501   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.062  -2.501   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.650  -1.786   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.062  -1.072   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.888  -1.072   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.825  -1.786   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.412  -2.501   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.412  -2.501   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.825  -3.215   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.650  -3.215   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.062  -2.501   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.650  -1.786   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.825  -1.786   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.888  -2.501   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.300  -1.786   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       3.300  -3.215   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       2.888  -1.072   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.412  -1.072   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.412  -1.072   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.825  -0.357   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.412   0.357   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.412   0.357   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.825  -0.357   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.825   1.072   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.650   1.072   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.062   1.786   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.650   2.501   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.825   2.501   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.412   1.786   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       2.062   3.215   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   19                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16                                                      
CONECT   19    7   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D08SNT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.061   1.537   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.061   0.712   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.775   0.299   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.490   0.712   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.490   1.537   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.775   1.949   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.775  -0.526   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.061  -0.938   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.061  -1.763   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.775  -2.176   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.490  -1.763   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.490  -0.938   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.346   0.299   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.368   0.712   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.083   0.299   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.368   1.537   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.836   0.635   0.000  1.00  0.00           C  
HETATM   18  S   UNL     1      -2.388   0.022   0.000  1.00  0.00           S  
HETATM   19  C   UNL     1      -1.976  -0.693   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.169  -0.521   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.311  -1.447   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.775   2.774   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.118  -1.618   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.204  -2.439   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1      -2.451  -2.774   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.899  -2.161   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       3.204  -2.176   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   22                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   27                                            
CONECT   12   11    7                                                 
CONECT   13    2   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   17   20                                            
CONECT   16   14                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   15                                                 
CONECT   21   19   23   26                                            
CONECT   22    6                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   11                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END

$$$$

$$$$

$$$$
D08UCB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.517  -0.982   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.692  -0.982   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.279  -0.268   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.692   0.447   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.517   0.447   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.929  -0.268   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -3.140  -1.595   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1      -2.386  -1.260   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.472  -0.439   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -1.671  -1.672   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.957  -1.260   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.242  -1.672   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.472  -1.260   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.472  -0.435   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.242  -0.022   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.957  -0.435   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.186  -0.022   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.901  -0.435   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.615  -0.022   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.615   0.803   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.901   1.215   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.186   0.803   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.330   1.215   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       3.330   2.040   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       4.044   0.803   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.130  -0.018   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.938  -0.189   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.350   0.525   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.798   1.138   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.970   1.945   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       5.754   2.200   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       4.356   2.497   0.000  1.00  0.00           O  
HETATM   33  F   UNL     1      -5.754  -0.268   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -0.242  -2.497   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   33                                            
CONECT    7    2    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    3                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13   34                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   14   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   20   24   25                                            
CONECT   24   23                                                      
CONECT   25   23   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   25   30                                            
CONECT   30   29   31   32                                            
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33    6                                                      
CONECT   34   12                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D08UEC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.716   1.085   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.716   0.260   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.430  -0.152   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.145   0.260   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.145   1.085   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.430   1.498   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.001  -0.152   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.713   0.260   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.428  -0.152   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.428  -0.977   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.713  -1.390   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.001  -0.977   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.713   1.085   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.716  -1.390   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.430  -0.977   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.716  -2.215   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.142   0.260   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.857  -0.152   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.857  -0.977   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.142  -1.390   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.571  -1.390   0.000  1.00  0.00           N  
HETATM   22  H   UNL     1      -2.142  -2.215   0.000  1.00  0.00           H  
HETATM   23  C   UNL     1       2.857   1.500   0.000  1.00  0.00           C  
HETATM   24  F   UNL     1       2.444   2.215   0.000  1.00  0.00           F  
HETATM   25  F   UNL     1       3.571   1.913   0.000  1.00  0.00           F  
HETATM   26  F   UNL     1       3.269   0.786   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   23                                            
CONECT    6    5    1                                                 
CONECT    7    2    8   12                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10   17                                            
CONECT   10    9   11   20                                            
CONECT   11   10   12                                                 
CONECT   12   11    7   14                                            
CONECT   13    8                                                      
CONECT   14   12   15   16                                            
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17    9   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   10   22                                            
CONECT   21   19                                                      
CONECT   22   20                                                      
CONECT   23    5   24   25   26                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D08UFW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.785   0.932   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.785   0.107   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.071  -0.305   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.356   0.107   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.356   0.932   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.071   1.345   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.642  -0.305   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.927   0.107   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.927   0.932   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.642   1.345   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.213   1.345   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.498   0.932   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.216   1.345   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.931   0.932   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       0.216   2.170   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       0.931   0.107   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.645  -0.305   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.360   0.107   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.360   0.932   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.645   1.345   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.216  -0.305   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.498   0.107   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1       0.216  -1.757   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       0.931  -2.170   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.645  -1.757   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.399  -2.093   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.951  -1.480   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       2.538  -0.765   0.000  1.00  0.00           N  
HETATM   29  O   UNL     1       1.731  -0.937   0.000  1.00  0.00           O  
HETATM   30 BR   UNL     1       3.771  -1.566   0.000  1.00  0.00          Br  
HETATM   31  C   UNL     1       3.144  -0.147   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.629   0.520   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       3.144   1.187   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1       3.480  -0.901   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.300  -0.987   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.785  -0.320   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.450   0.434   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13   16   20                                            
CONECT   15   13                                                      
CONECT   16   14   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   31                                            
CONECT   19   18   20   33                                            
CONECT   20   19   14                                                 
CONECT   21   16   22   23                                            
CONECT   22   21                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   25                                                 
CONECT   30   27                                                      
CONECT   31   18   32   34                                            
CONECT   32   31   33   37                                            
CONECT   33   32   19                                                 
CONECT   34   31   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   32                                                 
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D08UPQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -7.712   3.494   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -6.997   3.907   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -6.283   3.494   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.569   3.907   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -4.854   3.494   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.140   3.907   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.425   3.494   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.711   3.907   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.140   4.732   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.425   5.144   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.854   5.144   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.140   5.557   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.425   2.669   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -6.283   2.669   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -5.569   4.732   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.996   3.494   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.282   3.907   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.282   4.732   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.996   5.144   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.711   4.732   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.567   5.144   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.567   5.969   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.282   6.382   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.996   5.969   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.996   2.669   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.711   2.257   0.000  1.00  0.00           O  
HETATM   27  N   UNL     1      -1.282   2.257   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -0.567   2.669   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.282   1.432   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.147   2.257   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.147   1.432   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.862   1.019   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.576   1.432   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.576   2.257   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       0.862   2.669   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.291   1.019   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1       3.005   1.432   0.000  1.00  0.00           O  
HETATM   38  N   UNL     1       2.291   0.194   0.000  1.00  0.00           N  
HETATM   39  C   UNL     1       3.005  -0.218   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       3.091  -1.039   0.000  1.00  0.00           C  
HETATM   41  N   UNL     1       3.898  -1.210   0.000  1.00  0.00           N  
HETATM   42  C   UNL     1       4.311  -0.496   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       3.759   0.117   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       4.115  -6.382   0.000  1.00  0.00           C  
HETATM   45  N   UNL     1       3.721  -5.657   0.000  1.00  0.00           N  
HETATM   46  C   UNL     1       4.152  -4.953   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1       3.758  -4.229   0.000  1.00  0.00           C  
HETATM   48  N   UNL     1       4.189  -3.525   0.000  1.00  0.00           N  
HETATM   49  C   UNL     1       3.795  -2.800   0.000  1.00  0.00           C  
HETATM   50  C   UNL     1       4.226  -2.096   0.000  1.00  0.00           C  
HETATM   51  C   UNL     1       2.970  -2.779   0.000  1.00  0.00           C  
HETATM   52  C   UNL     1       2.540  -3.482   0.000  1.00  0.00           C  
HETATM   53  C   UNL     1       2.146  -2.757   0.000  1.00  0.00           C  
HETATM   54  O   UNL     1       5.051  -2.118   0.000  1.00  0.00           O  
HETATM   55  C   UNL     1       4.977  -4.975   0.000  1.00  0.00           C  
HETATM   56  O   UNL     1       2.933  -4.207   0.000  1.00  0.00           O  
HETATM   57  C   UNL     1       2.387  -2.195   0.000  1.00  0.00           C  
HETATM   58  C   UNL     1       5.108  -0.282   0.000  1.00  0.00           C  
HETATM   59  N   UNL     1       5.321   0.515   0.000  1.00  0.00           N  
HETATM   60  O   UNL     1       5.691  -0.866   0.000  1.00  0.00           O  
HETATM   61  C   UNL     1       6.118   0.728   0.000  1.00  0.00           C  
HETATM   62  C   UNL     1       6.702   0.145   0.000  1.00  0.00           C  
HETATM   63  C   UNL     1       7.498   0.358   0.000  1.00  0.00           C  
HETATM   64  C   UNL     1       7.712   1.155   0.000  1.00  0.00           C  
HETATM   65  C   UNL     1       7.129   1.739   0.000  1.00  0.00           C  
HETATM   66  C   UNL     1       6.332   1.525   0.000  1.00  0.00           C  
HETATM   67  C   UNL     1       7.342   2.536   0.000  1.00  0.00           C  
HETATM   68  C   UNL     1       6.759   3.119   0.000  1.00  0.00           C  
HETATM   69  C   UNL     1       5.962   2.905   0.000  1.00  0.00           C  
HETATM   70  C   UNL     1       5.748   2.109   0.000  1.00  0.00           C  
HETATM   71  C   UNL     1      -0.567   1.019   0.000  1.00  0.00           C  
HETATM   72  C   UNL     1      -1.996   1.019   0.000  1.00  0.00           C  
HETATM   73  C   UNL     1      -2.711   1.432   0.000  1.00  0.00           C  
HETATM   74  C   UNL     1      -3.425   1.019   0.000  1.00  0.00           C  
HETATM   75  C   UNL     1      -3.425   0.194   0.000  1.00  0.00           C  
HETATM   76  C   UNL     1      -2.711  -0.218   0.000  1.00  0.00           C  
HETATM   77  C   UNL     1      -1.996   0.194   0.000  1.00  0.00           C  
HETATM   78  F   UNL     1      -1.282  -0.218   0.000  1.00  0.00           F  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4   14                                            
CONECT    4    3    5   15                                            
CONECT    5    4    6                                                 
CONECT    6    5    7    9                                            
CONECT    7    6    8   13                                            
CONECT    8    7   16   20                                            
CONECT    9    6   10   11   12                                       
CONECT   10    9                                                      
CONECT   11    9                                                      
CONECT   12    9                                                      
CONECT   13    7                                                      
CONECT   14    3                                                      
CONECT   15    4                                                      
CONECT   16    8   17   25                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20   24                                            
CONECT   20   19    8                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   16   26   27                                            
CONECT   26   25                                                      
CONECT   27   25   28   29                                            
CONECT   28   27   30                                                 
CONECT   29   27   71   72                                            
CONECT   30   28   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   36                                            
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
CONECT   36   33   37   38                                            
CONECT   37   36                                                      
CONECT   38   36   39                                                 
CONECT   39   38   40   43                                            
CONECT   40   39   41                                                 
CONECT   41   40   42   50                                            
CONECT   42   41   43   58                                            
CONECT   43   42   39                                                 
CONECT   44   45                                                      
CONECT   45   44   46                                                 
CONECT   46   45   47   55                                            
CONECT   47   46   48   56                                            
CONECT   48   47   49                                                 
CONECT   49   48   50   51                                            
CONECT   50   49   54   41                                            
CONECT   51   49   52   53   57                                       
CONECT   52   51                                                      
CONECT   53   51                                                      
CONECT   54   50                                                      
CONECT   55   46                                                      
CONECT   56   47                                                      
CONECT   57   51                                                      
CONECT   58   42   59   60                                            
CONECT   59   58   61                                                 
CONECT   60   58                                                      
CONECT   61   59   62   66                                            
CONECT   62   61   63                                                 
CONECT   63   62   64                                                 
CONECT   64   63   65                                                 
CONECT   65   64   66   67                                            
CONECT   66   65   61   70                                            
CONECT   67   65   68                                                 
CONECT   68   67   69                                                 
CONECT   69   68   70                                                 
CONECT   70   69   66                                                 
CONECT   71   29                                                      
CONECT   72   29   73   77                                            
CONECT   73   72   74                                                 
CONECT   74   73   75                                                 
CONECT   75   74   76                                                 
CONECT   76   75   77                                                 
CONECT   77   76   72   78                                            
CONECT   78   77                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
M  END

$$$$
D08UQK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.035  -0.883   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.035  -1.708   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.749  -2.120   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.463  -1.708   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.463  -0.883   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.749  -0.470   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.248  -1.963   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       3.733  -1.295   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       3.248  -0.628   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.503   0.157   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.920   0.740   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.133   1.537   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.550   2.120   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.753   1.907   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.539   1.110   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.123   0.527   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.558  -1.295   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       0.320  -0.470   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.394  -0.883   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.109  -0.470   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.823  -0.883   0.000  1.00  0.00           N  
HETATM   22  S   UNL     1      -2.538  -0.470   0.000  1.00  0.00           S  
HETATM   23  C   UNL     1      -3.252  -0.058   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.125   0.244   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1      -2.950  -1.185   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.339   0.763   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.146   0.934   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -4.558   0.220   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -4.006  -0.393   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.481   1.688   0.000  1.00  0.00           C  
CONECT    1    2    6   18                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   17                                            
CONECT    9    8    5   10                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    8                                                      
CONECT   18    1   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24   25                                       
CONECT   23   22   26   29                                            
CONECT   24   22                                                      
CONECT   25   22                                                      
CONECT   26   23   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   23                                                 
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D08UXR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -5.078   2.606   0.000  1.00  0.00           N  
HETATM    2  N   UNL     1      -5.490   1.892   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.938   1.279   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.184   1.614   0.000  1.00  0.00           N  
HETATM    5  N   UNL     1      -4.271   2.435   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.470   1.202   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.470   0.377   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.755  -0.036   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.041   0.377   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.041   1.202   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.755   1.614   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.327   1.614   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.327  -0.036   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.612   0.377   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.102  -0.036   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       0.102  -0.861   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.817  -1.273   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.531  -0.861   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.531  -0.036   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.817   0.377   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.618  -1.681   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.425  -1.853   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.837  -1.138   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       2.285  -0.525   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       2.457   0.282   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       3.658  -1.052   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.760  -2.606   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.210  -1.665   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       4.963  -1.329   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       4.877  -0.509   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.070  -0.337   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       5.490   0.043   0.000  1.00  0.00           O  
CONECT    1    2    5                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    1                                                 
CONECT    6    4    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11   12                                            
CONECT   11   10    6                                                 
CONECT   12   10                                                      
CONECT   13    9   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21   24                                       
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24   26                                            
CONECT   24   23   18   25                                            
CONECT   25   24                                                      
CONECT   26   23   28   31                                            
CONECT   27   22                                                      
CONECT   28   26   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30   26                                                 
CONECT   32   30                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D08VAT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215  -0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357  -0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.357  -0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.072  -0.619   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.501  -0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.215  -0.206   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       3.930  -0.619   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.930  -0.206   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       3.215   0.619   0.000  1.00  0.00           O  
CONECT    1    2   12                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10                                                      
CONECT   12    1                                                      
CONECT   13   10                                                      
MASTER        0    0    0    0    0    0    0    0   13    0   13    0
END
M  END

$$$$
D08VDV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.583  -1.004   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.583  -1.829   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.297  -2.242   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.012  -1.829   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.012  -1.004   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.297  -0.592   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       1.297   0.233   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.583   0.646   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.583   1.471   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.297   1.883   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.297   2.708   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.583   3.121   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.132   2.708   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.132   1.883   0.000  1.00  0.00           C  
HETATM   15  C   ACE A   0       2.726  -0.592   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.441  -1.004   0.000  1.00  0.00           N  
HETATM   17  CA  UNL     1       4.155  -0.592   0.000  1.00  0.00           C  
HETATM   18  CB  UNL     1       4.155   0.233   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       4.870   0.646   0.000  1.00  0.00           O  
HETATM   20 CL   UNL     1       1.297  -3.067   0.000  1.00  0.00          Cl  
HETATM   21  O   UNL     1      -0.132  -2.242   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.846  -1.829   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.932  -1.009   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.739  -0.837   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.152  -1.552   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.600  -2.165   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.959  -1.723   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.214  -2.508   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.662  -3.121   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.855  -2.949   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.511  -1.110   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.256  -0.325   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.808   0.288   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.615   0.116   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.870  -0.668   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.318  -1.282   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.870  -1.414   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1       4.870   0.004   0.000  1.00  0.00           O  
HETATM   39  OXT UNL     1       3.642  -2.123   0.000  1.00  0.00           O  
HETATM   40  C   UNL     1       2.011   3.121   0.000  1.00  0.00           C  
HETATM   41  N   UNL     1       3.429   3.121   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   21                                            
CONECT    3    2    4   20                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   15                                            
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   40                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    5   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   37                                            
CONECT   18   17   19                                                 
CONECT   19   18                                                      
CONECT   20    3                                                      
CONECT   21    2   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   22   30                                            
CONECT   27   25   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   26                                                 
CONECT   31   27   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
CONECT   37   38   39   17                                            
CONECT   38   37                                                      
CONECT   39   37                                                      
CONECT   40   41   11                                                 
CONECT   41   40                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D08VON
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.678   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.678   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.037   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.751   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.751   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.037   2.062   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.466   0.412   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.180   0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.180   1.650   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       1.466   2.062   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.392   0.412   0.000  1.00  0.00           C  
HETATM   12  S   UNL     1       1.466  -0.412   0.000  1.00  0.00           S  
HETATM   13  C   UNL     1       2.180  -0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.180  -1.650   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.895  -2.062   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.609  -1.650   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.609  -0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.895  -0.412   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       0.641  -0.412   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1       1.252  -1.209   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       4.324  -2.062   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1      -2.107   0.825   0.000  1.00  0.00           S  
HETATM   23  C   UNL     1      -2.720   0.273   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.384  -0.481   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.564  -0.395   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.527   0.445   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.324   0.658   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    2   22   25                                            
CONECT   12    7   13   19   20                                       
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   12                                                      
CONECT   20   12                                                      
CONECT   21   16                                                      
CONECT   22   11   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   11                                                 
CONECT   26   23   27                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D08VQU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.000   1.650   0.000  1.00  0.00           C  
HETATM    2  S   UNL     1       0.000   0.825   0.000  1.00  0.00           S  
HETATM    3 AU   UNL     1       0.000   0.000   0.000  1.00  0.00          Au1+
HETATM    4  S   UNL     1       0.000  -0.825   0.000  1.00  0.00           S  
HETATM    5  C   UNL     1       0.000  -1.650   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.667  -2.135   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.412  -2.920   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.412  -2.920   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.667  -2.135   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1       0.667   2.135   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.412   2.920   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.412   2.920   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.667   2.135   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.382   1.722   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.382   1.722   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.382   0.897   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.096   0.485   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.811   0.897   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.811   1.722   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.096   2.135   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.096   2.135   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.811   1.722   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.811   0.897   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.096   0.485   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.382   0.897   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.382  -1.722   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.382  -1.722   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.096  -2.135   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.811  -1.722   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.811  -0.897   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.096  -0.485   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.382  -0.897   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.382  -0.897   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.096  -0.485   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.811  -0.897   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.811  -1.722   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.096  -2.135   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1      -3.525   0.485   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1      -3.525  -0.337   0.000  1.00  0.00           C  
HETATM   40  O   UNL     1       3.525   0.485   0.000  1.00  0.00           O  
HETATM   41  C   UNL     1       4.237   0.896   0.000  1.00  0.00           C  
HETATM   42  O   UNL     1      -3.525  -0.485   0.000  1.00  0.00           O  
HETATM   43  C   UNL     1      -4.237  -0.896   0.000  1.00  0.00           C  
HETATM   44  O   UNL     1       3.525  -0.485   0.000  1.00  0.00           O  
HETATM   45  C   UNL     1       3.525   0.337   0.000  1.00  0.00           C  
CONECT    1    2   10   13                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    7   27                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   26                                            
CONECT   10    1   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    1   14                                            
CONECT   14   13   21   25                                            
CONECT   15   10   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   40   17   19                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   14   22                                                 
CONECT   22   21   23                                                 
CONECT   23   38   22   24                                            
CONECT   24   23   25                                                 
CONECT   25   24   14                                                 
CONECT   26    9   28   32                                            
CONECT   27    6   33   37                                            
CONECT   28   26   29                                                 
CONECT   29   28   30                                                 
CONECT   30   44   29   31                                            
CONECT   31   30   32                                                 
CONECT   32   31   26                                                 
CONECT   33   27   34                                                 
CONECT   34   33   35                                                 
CONECT   35   42   34   36                                            
CONECT   36   35   37                                                 
CONECT   37   36   27                                                 
CONECT   38   39   23                                                 
CONECT   39   38                                                      
CONECT   40   41   18                                                 
CONECT   41   40                                                      
CONECT   42   43   35                                                 
CONECT   43   42                                                      
CONECT   44   45   30                                                 
CONECT   45   44                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
M  END

$$$$
D08VSV
  -OEChem-09301911272D

 45 47  0     1  0  0  0  0  0999 V2000
    9.0501    1.7622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2762    2.7863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    0.2412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718   -2.8071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.7830    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.5320   -1.2830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -0.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -1.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -3.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -3.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1741    0.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3820    1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1821    1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2800    1.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -1.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9142    1.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4082    3.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4762   -1.8656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8747   -1.1753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -3.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -2.4376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9541   -3.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -3.5930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5741   -2.7460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2220   -2.7460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951   -3.5930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8421   -3.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7074   -0.0923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8415    1.5623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    0.8717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6021    0.7231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4499    0.9467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2262    1.7946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7162    3.8211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8701    3.5909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1003    2.7448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3361   -3.1192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 24  1  0  0  0  0
  2 21  1  0  0  0  0
  2 25  1  0  0  0  0
  3 22  2  0  0  0  0
  4 23  1  0  0  0  0
  4 45  1  0  0  0  0
  5 23  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 28  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  1  0  0  0  0
 11 18  2  0  0  0  0
 12 17  2  0  0  0  0
 13 19  2  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 20  1  0  0  0  0
 16 36  1  0  0  0  0
 17 21  1  0  0  0  0
 17 37  1  0  0  0  0
 18 22  1  0  0  0  0
 18 38  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  2  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
M  END

$$$$
D08VTV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.216   0.206   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.502  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.787   0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.073  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.358   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.356  -0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.070   0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.785  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.499   0.206   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       3.214  -0.206   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       3.928   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       4.643  -0.206   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       5.357   0.206   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.502  -1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.358   1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.928   1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.785  -1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.499  -1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.214  -1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.499  -2.269   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       0.356  -1.031   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       2.499   1.031   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       4.643  -1.031   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.787   1.031   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.643   0.205   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.355  -0.206   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.067  -0.617   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.355  -1.028   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.067   0.205   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.931  -0.206   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.931  -1.028   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.216  -1.444   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.928  -1.033   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.640  -1.444   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.640  -2.266   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.928  -2.677   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.216  -2.266   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       0.356   1.444   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       1.068   1.033   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       1.780   1.444   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       1.780   2.266   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       1.068   2.677   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       0.356   2.266   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       4.643   1.444   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1       5.355   1.033   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1       6.067   1.444   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1       6.067   2.266   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1       5.355   2.677   0.000  1.00  0.00           C  
HETATM   49  C   UNL     1       4.643   2.266   0.000  1.00  0.00           C  
CONECT    1   30    2                                                 
CONECT    2    1    3   14                                            
CONECT    3    2    4   24                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   15                                            
CONECT    6    5    7   21                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   17                                            
CONECT    9    8   10   22                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13   23                                            
CONECT   13   12                                                      
CONECT   14   32    2                                                 
CONECT   15   38    5                                                 
CONECT   16   44   11                                                 
CONECT   17    8   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21    6                                                      
CONECT   22    9                                                      
CONECT   23   12                                                      
CONECT   24    3                                                      
CONECT   25   26   30                                                 
CONECT   26   27   28   29   25                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30   31   25    1                                            
CONECT   31   30                                                      
CONECT   32   33   37   14                                            
CONECT   33   34   32                                                 
CONECT   34   35   33                                                 
CONECT   35   36   34                                                 
CONECT   36   37   35                                                 
CONECT   37   36   32                                                 
CONECT   38   39   43   15                                            
CONECT   39   40   38                                                 
CONECT   40   41   39                                                 
CONECT   41   42   40                                                 
CONECT   42   43   41                                                 
CONECT   43   42   38                                                 
CONECT   44   45   49   16                                            
CONECT   45   46   44                                                 
CONECT   46   47   45                                                 
CONECT   47   48   46                                                 
CONECT   48   49   47                                                 
CONECT   49   48   44                                                 
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
M  END

$$$$
D08WJG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.277   0.496   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.277  -0.329   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.562  -0.742   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.848  -0.329   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.848   0.496   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.562   0.908   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.991  -0.742   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -1.133   0.908   0.000  1.00  0.00           N  
HETATM    9  F   UNL     1      -2.562   1.734   0.000  1.00  0.00           F  
HETATM   10  C   UNL     1      -0.419   0.496   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.419  -0.329   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.296  -0.742   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.010  -0.329   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.010   0.496   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.296   0.908   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.725  -0.742   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.439  -0.329   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.439   0.496   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.725   0.908   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       3.154   0.908   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       3.868   0.496   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.868  -0.329   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.582  -0.742   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       5.297  -0.329   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       5.297   0.496   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.582   0.908   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       4.582   1.734   0.000  1.00  0.00           F  
HETATM   28  N   UNL     1      -4.745  -0.406   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.297  -1.019   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.884  -1.734   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.077  -1.562   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1    9                                            
CONECT    7    2   28   31                                            
CONECT    8    5   10                                                 
CONECT    9    6                                                      
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   19                                            
CONECT   15   14   10                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   14                                                 
CONECT   20   18   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21   27                                            
CONECT   27   26                                                      
CONECT   28    7   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30    7                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D08WPB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.678  -2.202   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.678  -3.027   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.963  -3.439   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.249  -3.027   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.249  -2.202   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.963  -1.789   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -3.462  -1.947   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1      -3.947  -2.614   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.462  -3.282   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.963  -0.964   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.534  -3.439   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.180  -3.027   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.934  -3.362   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.486  -2.749   0.000  1.00  0.00           N  
HETATM   15  N   UNL     1       1.073  -2.035   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       0.266  -2.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.306  -2.835   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.642  -3.589   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.462  -3.675   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       3.947  -3.008   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       3.612  -2.254   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.791  -2.168   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.296  -0.479   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.551   0.305   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1      -2.376   0.305   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.631  -0.479   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.066   0.973   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.241   0.973   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.172   1.687   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       0.584   2.402   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -0.811   1.757   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1      -1.596   2.012   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1      -1.850   1.228   0.000  1.00  0.00           C  
HETATM   34  S   UNL     1      -1.970   2.747   0.000  1.00  0.00           S  
HETATM   35  C   UNL     1      -2.767   2.961   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.179   3.675   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1      -1.970   3.572   0.000  1.00  0.00           O  
HETATM   38  O   UNL     1      -1.256   3.160   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   11                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   10                                            
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    6   23   26                                            
CONECT   11    4   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   12                                                 
CONECT   17   14   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   10   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   10                                                 
CONECT   27   24   28   31   33                                       
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29                                                      
CONECT   31   27   32                                                 
CONECT   32   31   33   34                                            
CONECT   33   32   27                                                 
CONECT   34   32   35   37   38                                       
CONECT   35   34   36                                                 
CONECT   36   35                                                      
CONECT   37   34                                                      
CONECT   38   34                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D08WTW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.437   0.438   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.437  -0.387   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.723  -0.800   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.008  -0.387   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.008   0.438   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.723   0.850   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.294  -0.800   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.207  -1.620   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.400  -1.792   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.012  -1.077   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.540  -0.464   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.820  -2.172   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.605  -1.917   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.218  -2.469   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.047  -3.276   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.262  -3.531   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.649  -2.979   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.833  -0.991   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.318  -1.658   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       1.168  -0.237   0.000  1.00  0.00           N  
HETATM   21 CL   UNL     1      -4.151   0.850   0.000  1.00  0.00          Cl  
HETATM   22 CL   UNL     1      -0.864  -3.234   0.000  1.00  0.00          Cl  
HETATM   23  C   UNL     1      -0.254   0.343   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.582   1.140   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.063   1.781   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1      -0.512   2.473   0.000  1.00  0.00           N  
HETATM   27  N   UNL     1      -1.309   2.259   0.000  1.00  0.00           N  
HETATM   28  N   UNL     1      -1.352   1.435   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       1.989  -0.151   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.324   0.603   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.839   1.270   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.019   1.184   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       0.683   0.430   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.175   2.024   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.995   2.110   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.331   2.864   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       2.846   3.531   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       2.026   3.445   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       1.690   2.691   0.000  1.00  0.00           C  
HETATM   40  F   UNL     1       4.151   2.950   0.000  1.00  0.00           F  
CONECT    1    2    6   21                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   18                                            
CONECT   11   10    7   23                                            
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   22                                            
CONECT   18   10   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   29   33                                            
CONECT   21    1                                                      
CONECT   22   17                                                      
CONECT   23   11   24                                                 
CONECT   24   23   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   24                                                 
CONECT   29   20   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   20                                                 
CONECT   34   31   35   39                                            
CONECT   35   34   36                                                 
CONECT   36   35   37   40                                            
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   34                                                 
CONECT   40   36                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D08WVK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.400  -1.588   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.400  -2.410   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.688  -2.821   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.024  -2.410   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.024  -1.588   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.688  -1.177   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.806  -2.664   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.290  -1.999   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.806  -1.334   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       2.112  -1.999   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1       1.137  -0.317   0.000  1.00  0.00           N  
HETATM   12 CL   UNL     1      -2.112  -1.177   0.000  1.00  0.00          Cl  
HETATM   13  N   UNL     1       0.381   0.439   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.413   0.226   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.594   1.233   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.995   0.807   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.789   0.594   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.002  -0.200   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.420  -0.781   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.626  -0.568   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.388   1.446   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.601   2.240   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.019   2.821   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.225   2.608   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.012   1.814   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5   11                                            
CONECT   10    8                                                      
CONECT   11    9   13                                                 
CONECT   12    1                                                      
CONECT   13   11   14   15                                            
CONECT   14   13   16   20                                            
CONECT   15   13   21   25                                            
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   14                                                 
CONECT   21   15   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   15                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D08XDA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.443   1.786   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.443   0.961   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.729   0.549   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.014   0.961   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.014   1.786   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.729   2.199   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.229   0.706   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.745   1.374   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.229   2.041   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.974  -0.078   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.527  -0.691   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.168  -0.250   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.920   1.374   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.507   0.659   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.318   0.659   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.730   1.374   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.318   2.088   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.507   2.088   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.555   1.374   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.968   0.659   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       1.555  -0.055   0.000  1.00  0.00           O  
HETATM   22  N   UNL     1       2.793   0.659   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.205  -0.055   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.793  -0.770   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.205  -1.484   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.030  -1.484   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.443  -0.770   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.030  -0.055   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.793  -2.199   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.968  -2.199   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9   13                                            
CONECT    9    8    5                                                 
CONECT   10    7   11   12                                            
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13    8   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   25   30                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D08XES
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.393   0.495   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.393  -0.330   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.679  -0.743   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.036  -0.330   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.036   0.495   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.679   0.907   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1      -2.108   0.907   0.000  1.00  0.00           N  
HETATM    8  O   UNL     1      -2.108  -0.743   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.822  -0.330   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.537  -0.743   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.321   1.704   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.118   1.491   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.905   0.694   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.362  -0.743   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.949  -1.457   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.750  -0.743   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.465  -0.330   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       0.750  -1.568   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.218  -0.666   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1      -3.531   2.205   0.000  1.00  0.00           F  
HETATM   21  F   UNL     1      -3.943   1.491   0.000  1.00  0.00           F  
HETATM   22  C   UNL     1       2.933  -0.253   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       3.647  -0.666   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       4.362  -0.253   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.806  -1.380   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.631  -1.380   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       2.933   0.572   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       2.631  -2.205   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.345  -1.793   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1   11   13                                            
CONECT    8    2    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   14   15                                            
CONECT   11    7   12                                                 
CONECT   12   11   13   20   21                                       
CONECT   13   12    7                                                 
CONECT   14   10   15                                                 
CONECT   15   14   10                                                 
CONECT   16    4   17   18                                            
CONECT   17   16   19                                                 
CONECT   18   16                                                      
CONECT   19   17   22   25   26                                       
CONECT   20   12                                                      
CONECT   21   12                                                      
CONECT   22   19   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23                                                      
CONECT   25   19                                                      
CONECT   26   19   28   29                                            
CONECT   27   22                                                      
CONECT   28   26   29                                                 
CONECT   29   28   26                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D08XLK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.300  -1.072   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.888  -1.786   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.062  -1.786   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.650  -1.072   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.062  -0.357   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.888  -0.357   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.825  -1.072   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.412  -1.786   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.412  -1.786   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.825  -2.501   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.650  -2.501   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.062  -1.786   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.650  -1.072   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.825  -1.072   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.888  -1.786   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.300  -1.072   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       3.300  -2.501   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       2.888  -0.357   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.412  -0.357   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.412  -0.357   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.825   0.357   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.412   1.072   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.412   1.072   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.825   0.357   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.825   1.786   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.412   2.501   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   19                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16                                                      
CONECT   19    7   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   19                                                 
CONECT   25   23   26                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D08XOA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.474   1.038   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.474   0.213   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.759  -0.200   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.045   0.213   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.045   1.038   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.759   1.450   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -1.400  -0.302   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1      -0.596  -0.118   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.238   0.625   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.596   1.369   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.400   1.552   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.172   2.077   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.715   2.698   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.474   2.374   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.587   0.625   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.000   1.340   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       0.587   2.054   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.081  -0.763   0.000  1.00  0.00           C  
HETATM   19  H   UNL     1      -2.759  -1.025   0.000  1.00  0.00           H  
HETATM   20  C   UNL     1      -0.383  -1.531   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.132  -2.176   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.948  -2.053   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.249  -1.285   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.735  -0.640   0.000  1.00  0.00           C  
HETATM   25  H   UNL     1       1.462  -2.698   0.000  1.00  0.00           H  
HETATM   26  N   UNL     1       2.236   1.341   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.649   0.627   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.474   0.627   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.411   1.341   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.999   0.627   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   19                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   18                                            
CONECT    9    8   10   15                                            
CONECT   10    9   11   12                                            
CONECT   11   10    5   14                                            
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   11                                                 
CONECT   15    9   16                                                 
CONECT   16   15   17   26                                            
CONECT   17   16                                                      
CONECT   18    8   20   24                                            
CONECT   19    3                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
CONECT   25   22                                                      
CONECT   26   16   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27                                                      
CONECT   29   26   30                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D08XOV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287   0.055   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.572   0.468   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.858   0.055   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143   0.468   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.429   0.055   0.000  1.00  0.00           N  
HETATM    6  O   UNL     1      -2.143   1.293   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.858  -0.770   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.715   0.468   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.715   1.293   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.000   0.055   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       0.000  -0.770   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1       0.715   0.468   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.429   0.055   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.143   0.468   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       2.143   1.293   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.429   1.705   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.715   1.293   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.756   1.845   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.421   2.599   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.601   2.512   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       2.833   3.313   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       3.659   3.313   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.071   2.599   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.000   1.705   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.000   2.530   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.715   2.943   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.429   2.530   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.429   1.705   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1      -0.131   3.526   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -1.127   3.657   0.000  1.00  0.00           F  
HETATM   31  C   UNL     1       1.429  -0.770   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       0.715  -1.182   0.000  1.00  0.00           O  
HETATM   33  N   UNL     1       2.143  -1.182   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1       2.143  -2.007   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.429  -2.420   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       1.429  -3.245   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1       2.143  -3.657   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1       2.858  -3.245   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       2.858  -2.420   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       3.572  -3.657   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       4.287  -3.245   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       4.287  -2.420   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       3.572  -2.007   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    6                                            
CONECT    5    4    8                                                 
CONECT    6    4                                                      
CONECT    7    3                                                      
CONECT    8    5    9   10                                            
CONECT    9    8   24   28                                            
CONECT   10    8   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   13   17                                            
CONECT   13   12   14   31                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17   20                                            
CONECT   17   16   12                                                 
CONECT   18   15   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   16                                                 
CONECT   21   19   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22                                                      
CONECT   24    9   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29   30                                       
CONECT   27   26   28                                                 
CONECT   28   27    9                                                 
CONECT   29   26                                                      
CONECT   30   26                                                      
CONECT   31   13   32   33                                            
CONECT   32   31                                                      
CONECT   33   31   34                                                 
CONECT   34   33   35   39                                            
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39   40                                            
CONECT   39   38   34   43                                            
CONECT   40   38   41                                                 
CONECT   41   40   42                                                 
CONECT   42   41   43                                                 
CONECT   43   42   39                                                 
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
M  END

$$$$
D08XQG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.065  -0.345   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.065  -1.170   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.351  -1.583   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.364  -1.170   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.364  -0.345   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.351   0.068   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.351   0.892   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.364   1.305   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       0.364   2.130   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1       1.078   0.892   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.792   1.305   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.780   0.068   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.494  -0.345   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.780   0.892   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.494   1.305   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.494   2.130   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.209   0.892   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.546   0.969   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.098   1.583   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.686   2.297   0.000  1.00  0.00           N  
HETATM   21  O   UNL     1       1.879   2.126   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.209   0.068   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.923  -0.345   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.923  -1.170   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.209  -1.583   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.494  -1.170   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.923   1.583   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.078  -1.583   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.491  -2.297   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.903  -1.583   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.618  -1.170   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       2.618  -0.345   0.000  1.00  0.00           O  
HETATM   33  O   UNL     1       3.332  -1.583   0.000  1.00  0.00           O  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   28                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11                                                 
CONECT   11   10   18   21                                            
CONECT   12    1   13   14                                            
CONECT   13   12   22   26                                            
CONECT   14   12   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15                                                      
CONECT   17   15                                                      
CONECT   18   11   19                                                 
CONECT   19   18   20   27                                            
CONECT   20   19   21                                                 
CONECT   21   20   11                                                 
CONECT   22   13   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   13                                                 
CONECT   27   19                                                      
CONECT   28    4   29   30                                            
CONECT   29   28   30                                                 
CONECT   30   29   28   31                                            
CONECT   31   30   32   33                                            
CONECT   32   31                                                      
CONECT   33   31                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D08YGE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858  -0.825   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.858  -1.650   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.143  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143  -0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.715  -2.062   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.000  -1.650   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.000  -0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.715  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.715   0.412   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.429   0.825   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.000   0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.715   0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.429   0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.429   1.650   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.715   2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.000   1.650   0.000  1.00  0.00           C  
HETATM   19  F   UNL     1      -0.715   2.062   0.000  1.00  0.00           F  
HETATM   20  F   UNL     1       0.715  -0.412   0.000  1.00  0.00           F  
HETATM   21  C   UNL     1       2.143   2.062   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.858   1.650   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.143   2.888   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.143  -2.888   0.000  1.00  0.00           O  
HETATM   25  N   UNL     1       2.858   2.475   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   24                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14   18                                            
CONECT   14   13   15   20                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   13   19                                            
CONECT   19   18                                                      
CONECT   20   14                                                      
CONECT   21   16   22   23   25                                       
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24    3                                                      
CONECT   25   21                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D08YMD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.001   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.001   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.287   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.572   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.572   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.287   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.858   0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.858  -0.412   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.143  -0.825   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.429   0.412   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.143   0.825   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.714  -0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.000   0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.714   0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.572  -0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.287  -0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.001  -0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.001  -1.650   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.287  -2.062   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.572  -1.650   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       0.714   0.825   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.429   0.413   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.143   0.825   0.000  1.00  0.00           N  
HETATM   26  O   UNL     1       1.429  -0.412   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       2.858   0.413   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.858  -0.412   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.572  -0.825   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.287  -0.412   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.287   0.413   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.572   0.825   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       5.001   0.825   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       5.001   1.650   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.287   2.062   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.572   1.650   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9   17                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12   16                                            
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   23                                            
CONECT   16   15   11                                                 
CONECT   17    8   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   15   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   27                                                 
CONECT   26   24                                                      
CONECT   27   25   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   33                                            
CONECT   32   31   27   36                                            
CONECT   33   31   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   32                                                 
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END

$$$$

$$$$

$$$$
D08YMT
  -OEChem-09301911262D

 54 56  0     1  0  0  0  0  0999 V2000
    6.5661   -0.3425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5876    2.6431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    0.9447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0524    0.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7465    1.3559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2939    0.7890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3569    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7891    0.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3582    0.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1013    1.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7955    1.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4897    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4408    1.7160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6487    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1839    2.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5997    0.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1350    2.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3429    1.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1505    0.0754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2227    1.1969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4791    0.4078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1629    2.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4916    2.0247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7045    2.0247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0333    2.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.8331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3924    1.8522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6127    1.6865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.4531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.4531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.2631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1813    0.3893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.6061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.4531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8755    0.7495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7808    2.5725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0011    2.4068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1879    0.3230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0550    2.9916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7286   -0.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5957    2.4910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7547    1.2038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4228    0.1825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 14  1  0  0  0  0
  2 21  1  0  0  0  0
  3 20  2  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
  5 16  1  0  0  0  0
  5 20  1  0  0  0  0
  5 42  1  0  0  0  0
  6 20  1  0  0  0  0
  6 22  1  0  0  0  0
  6 46  1  0  0  0  0
  7 28  1  0  0  0  0
  7 53  1  0  0  0  0
  7 54  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 19  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  2  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 49  1  0  0  0  0
 25 27  2  0  0  0  0
 25 50  1  0  0  0  0
 26 28  2  0  0  0  0
 26 51  1  0  0  0  0
 27 28  1  0  0  0  0
 27 52  1  0  0  0  0
M  END

$$$$
D08YPQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.061   1.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.061   1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.776   0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.490   1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.490   1.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.776   2.269   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.776  -0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.061  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.061  -1.444   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.776  -1.856   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.490  -1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.490  -0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.061  -2.269   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.346  -1.856   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       1.061  -3.094   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       2.490  -2.269   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.204  -1.856   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.346   0.619   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.368   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.082   0.619   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.368   1.856   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.836   0.954   0.000  1.00  0.00           C  
HETATM   23  S   UNL     1      -2.388   0.341   0.000  1.00  0.00           S  
HETATM   24  C   UNL     1      -1.976  -0.373   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.169  -0.202   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.311  -1.127   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.118  -1.298   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.204  -2.119   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1      -2.451  -2.454   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -1.899  -1.841   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       1.776   3.094   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   31                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13   16                                       
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   10   17                                                 
CONECT   17   16                                                      
CONECT   18    2   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   22   25                                            
CONECT   21   19                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   20                                                 
CONECT   26   24   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   26                                                 
CONECT   31    6                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END

$$$$

$$$$

$$$$
D08YYW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.148   0.240   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.148  -0.585   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.433  -0.997   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.719  -0.585   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.719   0.240   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.433   0.653   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.004   0.653   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.710   0.240   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -0.004   1.478   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.425   0.653   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.139   0.240   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.853   0.653   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.853   1.478   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.139   1.890   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.425   1.478   0.000  1.00  0.00           C  
HETATM   16 CL   UNL     1       3.568   1.890   0.000  1.00  0.00          Cl  
HETATM   17 CL   UNL     1       3.568   0.240   0.000  1.00  0.00          Cl  
HETATM   18  N   UNL     1      -2.761  -1.137   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.425  -1.890   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.605  -1.804   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.568  -0.965   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4   20                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13                                                      
CONECT   17   12                                                      
CONECT   18    2   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19    3                                                 
CONECT   21   18                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D08ZAW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.042  -0.208   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.042  -1.033   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.328  -1.445   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.613  -1.033   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.613  -0.208   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.328   0.205   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.899  -1.445   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.184  -1.033   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.184  -0.208   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.899   0.205   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.470   0.205   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.470   1.030   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.184   1.442   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.899   1.030   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.315  -0.050   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.800   0.617   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.315   1.285   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.757  -1.445   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.899  -2.270   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.470  -1.445   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.184  -2.683   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.570   2.070   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.018   2.683   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.377   2.241   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.929   1.628   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.613   0.617   0.000  1.00  0.00           C  
HETATM   27  H   UNL     1      -2.613  -1.858   0.000  1.00  0.00           H  
HETATM   28  C   UNL     1      -0.384   1.850   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       2.736   1.799   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       3.533   1.586   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.746   0.789   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       4.116   2.169   0.000  1.00  0.00           O  
HETATM   33  N   UNL     1       3.163   0.206   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1       3.376  -0.591   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.173  -0.805   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.757  -0.221   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.543   0.576   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7   27                                       
CONECT    5    4    6   10   26                                       
CONECT    6    5    1                                                 
CONECT    7    4    8   19                                            
CONECT    8    7    9   20                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12   15                                            
CONECT   12   11   13   17   28                                       
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   22                                            
CONECT   18    2                                                      
CONECT   19    7   21                                                 
CONECT   20    8                                                      
CONECT   21   19                                                      
CONECT   22   17   23   24                                            
CONECT   23   22                                                      
CONECT   24   22   25                                                 
CONECT   25   24   29                                                 
CONECT   26    5                                                      
CONECT   27    4                                                      
CONECT   28   12                                                      
CONECT   29   25   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30   33   37                                            
CONECT   32   30                                                      
CONECT   33   31   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   31                                                 
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D08ZBB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.579   1.087   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.579   0.262   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.865  -0.151   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.150   0.262   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.150   1.087   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.865   1.499   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.294  -0.151   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.008   0.262   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.008   1.087   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.723   1.499   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.437   1.087   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.437   0.262   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.723  -0.151   0.000  1.00  0.00           C  
HETATM   14 CL   UNL     1      -3.723  -0.976   0.000  1.00  0.00          Cl  
HETATM   15 CL   UNL     1      -2.337   1.542   0.000  1.00  0.00          Cl  
HETATM   16  C   UNL     1       0.564  -0.151   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.279   0.262   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       0.564  -0.976   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.993  -0.151   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.993  -0.976   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.708  -1.389   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.422  -0.976   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.422  -0.151   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.708   0.262   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.294  -0.976   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.579  -1.389   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.865  -0.976   0.000  1.00  0.00           N  
HETATM   28  O   UNL     1      -1.579  -2.213   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1       4.137  -1.389   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       4.851  -0.976   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       5.566  -0.564   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       4.439  -0.262   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       5.263  -1.690   0.000  1.00  0.00           F  
HETATM   34  C   UNL     1      -5.153   1.499   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1      -4.740   2.213   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1      -4.439   1.087   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -5.566   0.784   0.000  1.00  0.00           F  
CONECT    1    2    6   15                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8   25                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   34                                            
CONECT   12   11   13                                                 
CONECT   13   12    8   14                                            
CONECT   14   13                                                      
CONECT   15    1                                                      
CONECT   16    4   17   18                                            
CONECT   17   16   19                                                 
CONECT   18   16                                                      
CONECT   19   17   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   29                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25    7   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   22   30                                                 
CONECT   30   29   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
CONECT   34   11   35   36   37                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D08ZEM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572  -0.329   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572  -1.154   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.857  -1.567   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143  -1.154   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143  -0.329   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.857   0.084   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.428  -1.567   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.714  -1.154   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.714  -0.329   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.428   0.084   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.428   0.908   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1       0.001   0.084   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.001   0.908   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.715   1.321   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.714   1.321   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.430   0.908   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.144   1.321   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.144   2.146   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.430   2.558   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.715   2.146   0.000  1.00  0.00           C  
HETATM   21 BR   UNL     1       0.001   2.558   0.000  1.00  0.00          Br  
HETATM   22  C   UNL     1       0.001  -1.567   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.087  -2.387   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.894  -2.558   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.306  -1.844   0.000  1.00  0.00           C  
HETATM   26  S   UNL     1       0.754  -1.231   0.000  1.00  0.00           S  
HETATM   27  O   UNL     1       2.857   1.322   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       3.572   0.910   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   22                                            
CONECT    9    8   10   12                                            
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    9   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13   16   20                                            
CONECT   15   13                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18   27                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   14   21                                            
CONECT   21   20                                                      
CONECT   22    8   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   22                                                 
CONECT   27   17   28                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D08ZHA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.714  -0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.714  -1.238   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.000  -1.650   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.714  -1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.714  -0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.000   0.000   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.429   0.000   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.429   0.825   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.714   1.238   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.000   0.825   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.714   1.238   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.000   1.650   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.714   2.062   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.429   2.475   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.143   2.062   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.143   1.238   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       2.143   1.238   0.000  1.00  0.00           O  
HETATM   19 CL   UNL     1      -1.429  -1.650   0.000  1.00  0.00          Cl  
HETATM   20  O   UNL     1       0.000  -2.475   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       0.714   2.062   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.429   2.475   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   19                                            
CONECT    3    2    4   20                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   10                                            
CONECT    7    5    8                                                 
CONECT    8    7    9   18                                            
CONECT    9    8   10   21                                            
CONECT   10    9    6   11   12                                       
CONECT   11   10   13   17                                            
CONECT   12   10                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   11                                                 
CONECT   18    8                                                      
CONECT   19    2                                                      
CONECT   20    3                                                      
CONECT   21    9   22                                                 
CONECT   22   21                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D08ZJZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.650  -0.296   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.238  -1.010   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.412  -1.010   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000  -0.296   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.412   0.419   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.238   0.419   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.825  -0.296   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.238   0.419   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.238  -1.010   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.062  -1.010   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.475  -1.725   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.300  -1.725   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.712  -1.010   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.300  -0.296   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.475  -0.296   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.537  -1.010   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       4.950  -1.725   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       4.950  -0.296   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       4.537   0.419   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.475  -0.296   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.888   0.419   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.712   0.419   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.125  -0.296   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.712  -1.010   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.888  -1.010   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1      -4.950  -0.296   0.000  1.00  0.00           F  
HETATM   27  N   UNL     1       2.058   0.505   0.000  1.00  0.00           N  
HETATM   28  N   UNL     1       2.229   1.312   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       1.515   1.725   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.902   1.173   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.983   1.648   0.000  1.00  0.00           C  
CONECT    1    2    6   20                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   27   30                                            
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18                                                      
CONECT   20    1   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23                                                      
CONECT   27    8   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29    8                                                 
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D08ZRN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.622   0.084   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.797   0.080   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.385   0.794   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.441   0.794   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.696   1.579   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.028   2.064   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.639   1.579   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.853   0.080   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.678   0.080   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.091  -0.635   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.091   0.794   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1      -2.106   0.752   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.891   0.498   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.891  -0.327   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1      -2.106  -0.583   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1      -3.606   0.910   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.320   0.498   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -4.320  -0.327   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.606  -0.740   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.678  -1.349   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.091  -2.064   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.916  -2.064   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.328  -1.349   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.916  -0.635   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       3.328   0.080   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1       4.149   0.166   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       4.320   0.973   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.606   1.385   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       2.993   0.833   0.000  1.00  0.00           N  
CONECT    1    2   12   15                                            
CONECT    2    1    3                                                 
CONECT    3    4    7    2                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    3                                                 
CONECT    8    9    4                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   20   24                                            
CONECT   11    9                                                      
CONECT   12    1   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   19                                            
CONECT   15   14    1                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   10   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   10   25                                            
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   25                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D09AAB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.381  -0.228   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.965   0.356   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.590   1.091   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.775   0.962   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.646   0.147   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       2.761   0.142   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.068  -0.266   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.783   0.147   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.783   0.972   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.497  -0.266   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.212   0.147   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.926  -0.266   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.641   0.147   0.000  1.00  0.00           C  
HETATM   14 CL   UNL     1      -4.355  -0.266   0.000  1.00  0.00          Cl  
HETATM   15  O   UNL     1      -0.068  -1.091   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       2.975  -0.655   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.772  -0.868   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       4.355  -0.285   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.142   0.512   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.345   0.725   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    1    7                                            
CONECT    6    2   16   20                                            
CONECT    7    5    8   15                                            
CONECT    8    7    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13                                                      
CONECT   15    7                                                      
CONECT   16    6   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19    6                                                 
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D09AKT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.294   0.584   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.119   0.584   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.531   1.299   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.119   2.013   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.294   2.013   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.881   1.299   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1       3.357   1.299   0.000  1.00  0.00           F  
HETATM    8  C   UNL     1       0.057   1.299   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.428   1.966   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.213   1.711   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.213   0.886   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.428   0.631   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.927   2.124   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.642   1.711   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.642   0.886   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.927   0.474   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.927   2.949   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.357   0.474   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.173  -0.153   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.726  -0.766   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.471  -1.551   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1      -1.532  -0.595   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.023  -2.164   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.336  -1.723   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.768  -2.949   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.591  -2.507   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    3                                                      
CONECT    8    6    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12   16                                            
CONECT   12   11    8   19                                            
CONECT   13   10   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   11                                                 
CONECT   17   13                                                      
CONECT   18   15                                                      
CONECT   19   12   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   23   24                                            
CONECT   22   20                                                      
CONECT   23   21   25                                                 
CONECT   24   21   26                                                 
CONECT   25   23                                                      
CONECT   26   24                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D09ALF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.690  -2.269   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.690  -3.094   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.024  -3.506   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.739  -3.094   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.739  -2.269   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.024  -1.856   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.524  -3.349   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.008  -2.681   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.524  -2.014   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1       2.833  -2.681   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.024  -1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.739  -0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.739   0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.024   0.619   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.690   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.690  -0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.024   1.444   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.690   1.856   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.690   2.681   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.405   3.094   0.000  1.00  0.00           C  
HETATM   21  S   UNL     1      -2.119   2.681   0.000  1.00  0.00           S  
HETATM   22  C   UNL     1      -2.119   1.856   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.405   1.444   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.119   3.506   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1      -2.833   2.269   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8                                                      
CONECT   11    6   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24   25                                       
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   21                                                      
CONECT   25   21                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D09AQZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.168   0.908   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.168   0.084   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.883  -0.329   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.597   0.084   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.597   0.908   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.883   1.321   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.546   1.321   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.261   0.908   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.312  -0.329   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.975   1.321   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.689   0.908   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.689   0.084   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.975  -0.329   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.261   0.084   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.404  -0.329   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.201  -0.116   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.414  -0.912   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.618  -1.126   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.398  -1.149   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       3.205  -1.321   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1       3.618  -0.607   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       3.066   0.007   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.414  -0.393   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7   10   14                                            
CONECT    9    4   19   22                                            
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    8                                                 
CONECT   15   12   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   15                                                 
CONECT   19    9   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21    9                                                 
CONECT   23   21                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D09AVU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.302  -0.683   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.302  -1.508   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.588  -1.920   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.873  -1.508   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.873  -0.683   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.588  -0.270   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.089  -1.763   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.396  -1.095   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.089  -0.428   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.396  -2.430   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.181  -2.175   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.181  -1.350   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.501   0.287   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.626  -0.015   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.089   1.001   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.501   1.716   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.326   1.716   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.739   1.001   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.326   0.287   0.000  1.00  0.00           C  
HETATM   20 CL   UNL     1      -1.739   2.430   0.000  1.00  0.00          Cl  
HETATM   21  C   UNL     1       1.423  -0.229   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.636  -1.026   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.433  -1.239   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       3.017  -0.656   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       2.803   0.141   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.006   0.355   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.017  -0.270   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.017   0.555   0.000  1.00  0.00           C  
CONECT    1    2    6   27                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9   12                                            
CONECT    9    8    5   13   14                                       
CONECT   10    7   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    8                                                 
CONECT   13    9   15   19                                            
CONECT   14    9   21                                                 
CONECT   15   13   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   13                                                 
CONECT   20   17                                                      
CONECT   21   14   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27    1   28                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D09AXR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.082  -0.084   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.082  -0.908   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.367  -1.321   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.653  -0.908   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.653  -0.084   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.367   0.329   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1       0.062   0.329   0.000  1.00  0.00           N  
HETATM    8 CL   UNL     1      -2.796  -1.321   0.000  1.00  0.00          Cl  
HETATM    9  C   UNL     1       0.776  -0.084   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.491   0.329   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       0.776  -0.908   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1       2.244  -0.007   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       2.796   0.607   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1       2.384   1.321   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.577   1.149   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    9                                                 
CONECT    8    2                                                      
CONECT    9    7   10   11                                            
CONECT   10    9   12   15                                            
CONECT   11    9                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
MASTER        0    0    0    0    0    0    0    0   15    0   15    0
END
M  END

$$$$
D09BCJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.908  -0.732   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       1.572  -1.221   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.328  -0.890   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       2.419  -0.070   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       1.755   0.419   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.999   0.088   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.216   0.143   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.800  -0.440   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       4.596  -0.227   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       4.810   0.570   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       4.227   1.154   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.430   0.940   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.756  -1.264   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       4.527  -1.560   0.000  1.00  0.00           N  
HETATM   15  S   UNL     1       5.046  -0.918   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1      -0.064  -1.065   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.604  -0.533   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.318  -0.945   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.072  -0.610   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.624  -1.223   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.211  -1.937   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.404  -1.766   0.000  1.00  0.00           C  
HETATM   23  S   UNL     1      -2.285   0.187   0.000  1.00  0.00           S  
HETATM   24  O   UNL     1      -1.488   0.401   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1      -2.499   0.984   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.082  -0.026   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.666   0.557   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.462   0.344   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.676  -0.453   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -4.093  -1.037   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -3.296  -0.823   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.452   1.354   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.035   1.937   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.832   1.724   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.046   0.927   0.000  1.00  0.00           C  
CONECT    1    2    6   16                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10   15                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    8   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    9                                                 
CONECT   16    1   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   18                                                 
CONECT   23   19   24   25   26                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23   27   31                                            
CONECT   27   26   28   32                                            
CONECT   28   27   29   35                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   27   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   28                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D09BDD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.072  -0.996   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.072  -1.821   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.357  -2.234   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.357  -1.821   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.357  -0.996   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.357  -0.584   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       1.072  -2.234   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.786  -1.821   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.786  -0.996   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.072  -0.584   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.786  -2.234   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.529   0.223   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.349   0.309   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -1.685  -0.444   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.023   0.836   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.830   0.665   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.382   1.278   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.127   2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.320   2.234   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.232   1.621   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1      -1.039   1.792   0.000  1.00  0.00          Cl  
CONECT    1    2    6   14                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   12                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    2                                                      
CONECT   12    6   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    1                                                 
CONECT   15   12   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D09BNP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.389   2.111   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.389   1.286   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.674   0.874   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.960   1.286   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.960   2.111   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.674   2.524   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.103   0.874   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.857   1.209   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.409   0.596   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.996  -0.118   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.189   0.053   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.112   1.994   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.919   2.165   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.471   1.552   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.216   0.768   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1      -3.560   2.607   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -4.332  -0.872   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.102  -1.168   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.806  -1.938   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.036  -1.642   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.245   2.524   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       0.469   2.111   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       0.469   1.286   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.245   0.874   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.245   0.049   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.469  -0.364   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.184   0.049   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.184   0.874   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.898   1.286   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       2.613   0.874   0.000  1.00  0.00           N  
HETATM   31  O   UNL     1       1.898   2.111   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       3.327   1.286   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.042   0.874   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.756   1.286   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.756   2.111   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.042   2.524   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.327   2.111   0.000  1.00  0.00           C  
HETATM   38  F   UNL     1       5.471   2.524   0.000  1.00  0.00           F  
HETATM   39  C   UNL     1       0.467  -1.189   0.000  1.00  0.00           C  
HETATM   40  F   UNL     1       1.885  -1.189   0.000  1.00  0.00           F  
HETATM   41  F   UNL     1       0.467  -2.607   0.000  1.00  0.00           F  
HETATM   42  F   UNL     1      -0.951  -1.189   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   21                                            
CONECT    6    5    1                                                 
CONECT    7    2    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10   15                                            
CONECT   10    9   11   17                                            
CONECT   11   10    7                                                 
CONECT   12    8   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    9                                                 
CONECT   16   12                                                      
CONECT   17   10   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   17                                                 
CONECT   21    5   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   39                                            
CONECT   27   26   28                                                 
CONECT   28   27   23   29                                            
CONECT   29   28   30   31                                            
CONECT   30   29   32                                                 
CONECT   31   29                                                      
CONECT   32   30   33   37                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36   38                                            
CONECT   36   35   37                                                 
CONECT   37   36   32                                                 
CONECT   38   35                                                      
CONECT   39   40   41   42   26                                       
CONECT   40   39                                                      
CONECT   41   39                                                      
CONECT   42   39                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END

$$$$

$$$$

$$$$
D09BOL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.683   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.683  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.968  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.254  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.254   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.968   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.539  -0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.175  -0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.175   0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.539   0.825   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.539   1.650   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -0.539  -1.650   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1       0.960  -0.667   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.445   0.000   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.960   0.667   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.270   0.000   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.683   0.715   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1      -1.968  -1.650   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.681  -0.713   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   18                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10   15                                            
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    7                                                      
CONECT   13    8   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14    9                                                 
CONECT   16   14   17   19                                            
CONECT   17   16                                                      
CONECT   18    3                                                      
CONECT   19   16                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D09BSA
  -OEChem-09301911262D

 58 61  0     1  0  0  0  0  0999 V2000
   10.3517    3.6057    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7396    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2788   -2.7677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -3.6057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -1.0076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5388   -1.5076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -1.8736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0000   -1.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5878   -0.1986    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.5000   -0.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000   -1.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000   -0.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000   -1.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5388   -0.5076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5878   -1.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2788    0.7525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000   -1.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -1.8736    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3006    0.9604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9479    1.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000   -2.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9916    1.9115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6389    2.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6607    2.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -2.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -2.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -3.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -1.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -3.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0262    0.2398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0826    0.0705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923    0.4690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923   -2.4842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0826   -2.0857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6077    0.4690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9174    0.0705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9174   -2.0857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6077   -2.4842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1554   -0.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6677    0.0989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0404   -1.8720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1077   -0.3970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4174   -0.7955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1900   -1.3367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8858    0.4997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5544    1.3667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4631   -3.0496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3100   -3.2766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5369   -2.4296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3852    2.0404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0537    2.9074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1900   -1.3367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100   -4.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100   -1.3367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900   -4.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900   -1.3367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2 31  1  0  0  0  0
  3 15  2  0  0  0  0
  4 25  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 17  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 43  1  0  0  0  0
 18  7  1  6  0  0  0
  7 25  1  0  0  0  0
  7 54  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  9 14  1  0  0  0  0
  9 16  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 13  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 21  1  0  0  0  0
 18 46  1  0  0  0  0
 19 22  1  0  0  0  0
 19 47  1  0  0  0  0
 20 23  2  0  0  0  0
 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 24  2  0  0  0  0
 22 52  1  0  0  0  0
 23 24  1  0  0  0  0
 23 53  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 55  1  0  0  0  0
 28 30  2  0  0  0  0
 28 56  1  0  0  0  0
 29 31  2  0  0  0  0
 29 57  1  0  0  0  0
 30 31  1  0  0  0  0
 30 58  1  0  0  0  0
M  END

$$$$
D09BXO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.518  -0.948   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.518  -1.773   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.803  -2.186   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.089  -1.773   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.089  -0.948   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.803  -0.536   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.626  -2.186   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.340  -1.773   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.340  -0.948   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.626  -0.536   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.055  -0.536   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.055   0.289   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.340   0.702   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.626   0.289   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.839  -0.791   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.324  -0.123   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.839   0.544   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.232  -2.186   0.000  1.00  0.00           O  
HETATM   19  H   UNL     1       1.340  -0.123   0.000  1.00  0.00           H  
HETATM   20  C   UNL     1       2.141   1.110   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       2.141  -1.356   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       3.094   1.329   0.000  1.00  0.00           C  
HETATM   23  H   UNL     1      -1.518  -2.598   0.000  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.089  -2.598   0.000  1.00  0.00           H  
HETATM   25  H   UNL     1       0.626  -1.361   0.000  1.00  0.00           H  
HETATM   26  O   UNL     1      -2.232  -0.536   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       3.919   1.329   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.174   2.113   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       3.507   2.598   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       2.839   2.113   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       4.959   2.368   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -2.947  -0.948   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.661  -0.536   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.375  -0.948   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.375  -1.773   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1      -3.661  -2.186   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1      -2.947  -1.773   0.000  1.00  0.00           C  
HETATM   38  S   UNL     1      -3.447   0.261   0.000  1.00  0.00           S  
HETATM   39  C   UNL     1      -4.139   0.710   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.781   0.191   0.000  1.00  0.00           C  
HETATM   41  N   UNL     1      -4.485  -0.579   0.000  1.00  0.00           N  
HETATM   42  O   UNL     1      -2.947  -0.123   0.000  1.00  0.00           O  
HETATM   43  H   UNL     1      -2.947  -2.598   0.000  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.375  -2.598   0.000  1.00  0.00           H  
HETATM   45  C   UNL     1      -4.959  -2.357   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1      -0.119  -0.547   0.000  1.00  0.00           C  
HETATM   47  O   UNL     1      -0.702   0.036   0.000  1.00  0.00           O  
CONECT    1    2    6   26                                            
CONECT    2    1    3   18   23                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    7   24                                       
CONECT    5    4    6   10   46                                       
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11   19                                       
CONECT   10    9    5   14   25                                       
CONECT   11    9   12   15   21                                       
CONECT   12   11   13   17   20                                       
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   22                                            
CONECT   18    2   37                                                 
CONECT   19    9                                                      
CONECT   20   12                                                      
CONECT   21   11                                                      
CONECT   22   17   27   30                                            
CONECT   23    2                                                      
CONECT   24    4                                                      
CONECT   25   10                                                      
CONECT   26    1   32                                                 
CONECT   27   22   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   22                                                 
CONECT   31   28                                                      
CONECT   32   26   33   37   42                                       
CONECT   33   32   34   38   41                                       
CONECT   34   33   35                                                 
CONECT   35   34   36   44   45                                       
CONECT   36   35   37                                                 
CONECT   37   36   32   18   43                                       
CONECT   38   33   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41                                                 
CONECT   41   40   33                                                 
CONECT   42   32                                                      
CONECT   43   37                                                      
CONECT   44   35                                                      
CONECT   45   35                                                      
CONECT   46    5   47                                                 
CONECT   47   46                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
M  END

$$$$
D09CAM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.471  -1.072   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.646  -1.072   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.233  -0.357   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.646   0.357   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.471   0.357   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.883  -0.357   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.408  -0.357   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.583  -0.357   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.242  -0.357   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.825  -0.941   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.408  -0.357   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.825   0.226   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.233  -0.357   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.646  -1.072   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.471  -1.072   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.883  -0.357   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.471   0.357   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.646   0.357   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1       3.883   1.072   0.000  1.00  0.00          Cl  
HETATM   20  F   UNL     1      -0.074   0.405   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   12   20                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11    9                                                 
CONECT   13   11   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   13                                                 
CONECT   19   17                                                      
CONECT   20    9                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D09CDR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.170  -0.968   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.420  -1.311   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.139  -0.704   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.266   0.015   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.075  -0.148   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.738   0.343   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.495   0.016   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.589  -0.804   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.927  -1.296   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.964  -0.713   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.383  -0.003   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.979   0.716   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.153   0.725   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.369  -1.431   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.194  -1.440   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.614  -0.730   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       2.209  -0.011   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.258   1.440   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.161   1.440   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1      -2.614  -0.756   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.899  -1.169   0.000  1.00  0.00           C  
CONECT    1    2    5    9                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   10                                            
CONECT    4    3    5   13                                            
CONECT    5    4    1    6                                            
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   20                                            
CONECT    9    8    1                                                 
CONECT   10    3   11   14                                            
CONECT   11   10   12   17                                            
CONECT   12   11   13                                                 
CONECT   13   12    4   18                                            
CONECT   14   10   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   11                                                 
CONECT   18   19   13                                                 
CONECT   19   18                                                      
CONECT   20    8   21                                                 
CONECT   21   20                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D09CER
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.001  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.001  -1.031   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.287  -1.444   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.572  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.572  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.287   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.858  -1.444   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.143  -1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.858   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.429  -1.444   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.715  -1.031   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.000  -1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.715  -1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.715  -0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.000   0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.715  -0.206   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.429   0.206   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.143  -0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.858   0.206   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       2.143  -1.031   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       3.572  -0.206   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.287   0.206   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.287   1.031   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.572   1.444   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.858   1.031   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       5.001  -0.206   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       5.716   0.206   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -5.716  -1.444   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   29                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    8   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   22   26                                            
CONECT   21   19                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   20                                                 
CONECT   27   23   28                                                 
CONECT   28   27                                                      
CONECT   29    2                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D09CGG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858  -0.153   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858  -0.978   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.143  -1.390   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.429  -0.978   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429  -0.153   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143   0.260   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.715   0.260   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.000  -0.153   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -0.715   1.085   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1      -0.715  -1.390   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1      -0.628  -2.211   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.179  -2.382   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.591  -1.668   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.039  -1.055   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.715   0.260   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.715   1.085   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.429  -0.153   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.429  -0.978   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.143   0.260   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       2.143   1.085   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1       2.858  -0.153   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       1.298   1.668   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.123   1.668   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.535   2.382   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.123   3.097   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.298   3.097   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.885   2.382   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.591  -3.097   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.416  -3.097   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       1.829  -2.382   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       1.416  -1.668   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.654  -2.382   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   15                                                 
CONECT    9    7                                                      
CONECT   10    4   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   28                                            
CONECT   13   12   14   31                                            
CONECT   14   13   10                                                 
CONECT   15    8   16   17                                            
CONECT   16   15   22                                                 
CONECT   17   15   18   19                                            
CONECT   18   17                                                      
CONECT   19   17   20   21                                            
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   16   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   12   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30   13                                                 
CONECT   32   30                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D09CIC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.213  -0.594   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.927  -1.006   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.927  -1.831   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.213  -2.244   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.498  -1.831   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.498  -1.006   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1       0.286  -2.086   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1       0.771  -1.419   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.286  -0.751   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       1.592  -1.333   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.927  -0.579   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.442   0.088   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.622   0.002   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.137   0.670   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.683   0.584   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.472   1.423   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.140   1.908   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.386   2.244   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1    9                                            
CONECT    7    5    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    6   13                                            
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    9   14                                            
CONECT   14   13   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17   18                                            
CONECT   17   16   18                                                 
CONECT   18   17   16                                                 
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D09CKU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143   1.444   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.715  -0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.000   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.000   1.031   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.715   1.444   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.715   1.444   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       0.715  -0.206   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.715  -1.031   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       0.000  -1.444   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.429  -1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.429  -2.269   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.143  -2.681   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.858  -2.269   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.858  -1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.143  -1.031   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.572   1.444   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.143  -1.031   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.429   1.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.143   1.444   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.143   2.269   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.429   2.681   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.715   2.269   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       1.429   3.506   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1       2.858   2.681   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       2.858   1.031   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       3.572  -1.031   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       3.572  -2.681   0.000  1.00  0.00           O  
HETATM   33  O   UNL     1       2.143  -3.506   0.000  1.00  0.00           O  
CONECT    1    2    6   21                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   22                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   23   27                                            
CONECT   12    8   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   33                                            
CONECT   18   17   19   32                                            
CONECT   19   18   20   31                                            
CONECT   20   19   15                                                 
CONECT   21    1                                                      
CONECT   22    3                                                      
CONECT   23   11   24                                                 
CONECT   24   23   25   30                                            
CONECT   25   24   26   29                                            
CONECT   26   25   27   28                                            
CONECT   27   26   11                                                 
CONECT   28   26                                                      
CONECT   29   25                                                      
CONECT   30   24                                                      
CONECT   31   19                                                      
CONECT   32   18                                                      
CONECT   33   17                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D09CNM
  -OEChem-09301911162D

 37 40  0     0  0  0  0  0  0999 V2000
    5.5443    1.5254    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0540   -1.5746    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2793    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6668    0.2207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.0841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6668    1.2207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4067    2.4808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7157   -0.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4067   -1.0394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7157    1.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0758   -1.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4285   -1.2473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7668   -2.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1195   -2.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7886   -2.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1683   -0.1437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0137   -0.7866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1816   -3.1943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5131   -2.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8215    2.9415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8002    2.6097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5970   -3.5312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    2.7207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.3407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    2.7207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2 19  1  0  0  0  0
  3 21  1  0  0  0  0
  4 18  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 26  1  0  0  0  0
  6 11  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 15  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 27  1  0  0  0  0
 17 21  1  0  0  0  0
 17 28  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 20 29  1  0  0  0  0
 22 24  1  0  0  0  0
 22 30  1  0  0  0  0
 23 24  2  0  0  0  0
 23 31  1  0  0  0  0
 24 34  1  0  0  0  0
 25 35  1  0  0  0  0
 25 36  1  0  0  0  0
 25 37  1  0  0  0  0
M  END

$$$$
D09CWB
  -OEChem-09301911242D

 39 41  0     0  0  0  0  0  0999 V2000
    2.5369   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131   -1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116   -1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  1 39  1  0  0  0  0
  2 23  2  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  3 28  1  0  0  0  0
  4 17  2  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  2  0  0  0  0
  9 27  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 23  1  0  0  0  0
 15 19  1  0  0  0  0
 15 31  1  0  0  0  0
 16 20  2  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 22  2  0  0  0  0
 18 34  1  0  0  0  0
 19 21  2  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
M  END

$$$$
D09DZI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.711   0.043   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.711  -0.782   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.997  -1.195   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.282  -0.782   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.282   0.043   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.997   0.455   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.498  -1.037   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.013  -0.370   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.498   0.298   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.243   1.082   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1      -1.243  -1.822   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1      -0.429   0.213   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.429  -0.953   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.643  -1.750   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.060  -2.333   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.737  -2.120   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.951  -1.323   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.367  -0.740   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.367   0.000   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.951   0.583   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.737   1.380   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.060   1.594   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.643   1.010   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.321   1.964   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.118   1.750   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.331   0.953   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.128   0.740   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.711   1.323   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.498   2.120   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.701   2.333   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.748   0.370   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12   13                                       
CONECT    9    8    5   10                                            
CONECT   10    9                                                      
CONECT   11    7                                                      
CONECT   12    8   19   23                                            
CONECT   13    8   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   12   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   12                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   26                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D09EFW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.858  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.858   0.206   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.287   0.206   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1      -4.287  -1.444   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.429   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.715  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.000   0.206   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       0.000   1.031   0.000  1.00  0.00           O  
HETATM   13  N   UNL     1       0.715  -0.206   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.429   0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.143  -0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.858   0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.858   1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.143   1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.429   1.031   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       3.572   1.444   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       4.287   1.031   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    2                                                      
CONECT    9    5   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21                                                 
CONECT   21   20                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D09EIX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.101   0.000   0.000  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.101   0.825   0.000  1.00  0.00           O  
HETATM    3  N   UNL     1      -2.387  -0.412   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.816  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.672   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.958  -0.412   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.958  -1.238   0.000  1.00  0.00           O  
HETATM    8  N   UNL     1      -0.243   0.000   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.471  -0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.471  -1.238   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.243  -1.650   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.243  -2.475   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.186  -1.650   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.186   0.000   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       1.186   0.825   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       1.900  -0.412   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -4.569  -0.077   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.121  -0.690   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.709  -1.405   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1      -3.902  -1.233   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.672   0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.958   1.238   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.243   0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.471   1.238   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.471   2.062   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.243   2.475   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.958   2.062   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.333  -1.243   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.335  -0.418   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.047  -1.657   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.763  -1.245   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.764  -0.420   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.050  -0.007   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.615   0.000   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1       4.407   0.613   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1       5.121   0.201   0.000  1.00  0.00           C  
CONECT    1    2    3    4                                            
CONECT    2    1                                                      
CONECT    3    1    5                                                 
CONECT    4    1   17   20                                            
CONECT    5    3    6   21                                            
CONECT    6    5    7    8                                            
CONECT    7    6                                                      
CONECT    8    6    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11                                                      
CONECT   13   10                                                      
CONECT   14    9   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   34                                                 
CONECT   17    4   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19    4                                                 
CONECT   21    5   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   29   30                                                 
CONECT   29   28   33   34                                            
CONECT   30   28   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   29   35                                            
CONECT   34   16   29                                                 
CONECT   35   33   36                                                 
CONECT   36   35                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D09ENS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -2.062   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -2.475   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -2.062   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072  -1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786  -0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.357  -2.475   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.357  -2.062   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.357  -1.238   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.357  -0.825   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.072  -0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.786  -1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.501  -0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.501   0.000   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.786   0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.072   0.000   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.357   0.412   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.357   1.238   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.072   1.650   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.072   2.475   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.357   2.888   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.357   2.475   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.357   1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.357   3.712   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       3.215   0.412   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       3.215   1.238   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.357  -3.300   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1      -1.786  -3.300   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.501  -3.712   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.215  -0.825   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -3.215   0.000   0.000  1.00  0.00           C  
CONECT    1    2    6   30                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   28                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   27                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   25                                            
CONECT   15   14   16                                                 
CONECT   16   15   11   17                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   21                                                      
CONECT   25   14   26                                                 
CONECT   26   25                                                      
CONECT   27    7                                                      
CONECT   28    3   29                                                 
CONECT   29   28                                                      
CONECT   30    1   31                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D09EPG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.713   0.269   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.228  -0.399   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.556  -0.144   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.556   0.681   0.000  1.00  0.00           C  
HETATM    5  S   UNL     1      -0.228   0.936   0.000  1.00  0.00           S  
HETATM    6  C   UNL     1       1.201  -0.658   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.005  -0.474   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.363   0.269   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.005   1.012   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.201   1.195   0.000  1.00  0.00           C  
HETATM   11  S   UNL     1      -1.538   0.269   0.000  1.00  0.00           S  
HETATM   12  N   UNL     1      -1.538  -0.556   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1      -2.363   0.269   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1      -1.538   1.094   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.252  -0.969   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.824  -0.969   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.442  -1.195   0.000  1.00  0.00           C  
CONECT    1    2    5   11                                            
CONECT    2    1    3   17                                            
CONECT    3    2    4    6                                            
CONECT    4    3    5   10                                            
CONECT    5    4    1                                                 
CONECT    6    3    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    1   12   13   14                                       
CONECT   12   11   15   16                                            
CONECT   13   11                                                      
CONECT   14   11                                                      
CONECT   15   12                                                      
CONECT   16   12                                                      
CONECT   17    2                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D09FGW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.191  -1.872   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.191  -2.697   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.476  -3.110   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.762  -2.697   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.762  -1.872   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.476  -1.460   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.047  -3.110   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.333  -2.697   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.382  -3.110   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.096  -2.697   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.096  -1.872   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.382  -1.460   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.333  -1.872   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.476  -0.635   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.762  -0.222   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.762   0.603   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.476   1.015   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.191   0.603   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.191  -0.222   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.476   1.840   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.809   2.325   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.064   3.110   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.889   3.110   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.144   2.325   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.881  -2.952   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.366  -2.285   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       1.881  -1.617   0.000  1.00  0.00           N  
HETATM   28  O   UNL     1       3.191  -2.285   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.048   1.017   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -0.223   1.017   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   14                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   25                                            
CONECT   11   10   12   27                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    6   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   29                                            
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   20                                                 
CONECT   25   10   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   11                                                 
CONECT   28   26                                                      
CONECT   29   16   30                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D09FMS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.342   0.891   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.342   0.066   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.628  -0.347   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.913   0.066   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.913   0.891   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.628   1.303   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.129  -0.189   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.356   0.478   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.129   1.145   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.126   1.930   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.126  -0.974   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.933  -1.145   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       1.485  -0.532   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.188  -1.930   0.000  1.00  0.00           C  
HETATM   15  H   UNL     1      -1.628   2.128   0.000  1.00  0.00           H  
HETATM   16  H   UNL     1      -3.057   1.303   0.000  1.00  0.00           H  
HETATM   17  H   UNL     1      -1.628  -1.172   0.000  1.00  0.00           H  
HETATM   18  C   UNL     1       0.933   2.102   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.188   2.886   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.636   3.499   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.171   3.328   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.426   2.543   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.636  -2.543   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.891  -3.328   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.698  -3.499   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.250  -2.886   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.995  -2.102   0.000  1.00  0.00           C  
HETATM   28  H   UNL     1      -0.723   3.941   0.000  1.00  0.00           H  
HETATM   29  O   UNL     1       0.891   4.284   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       1.995   3.058   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       1.485   1.489   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       2.547  -1.489   0.000  1.00  0.00           O  
HETATM   33  O   UNL     1       3.057  -3.058   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1       1.953  -4.284   0.000  1.00  0.00           O  
HETATM   35  H   UNL     1       0.339  -3.941   0.000  1.00  0.00           H  
HETATM   36  O   UNL     1      -3.057   0.066   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1      -2.343  -0.347   0.000  1.00  0.00           C  
CONECT    1    2    6   16                                            
CONECT    2    1    3   36                                            
CONECT    3    2    4   17                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   15                                            
CONECT    7    4    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9   18   22                                            
CONECT   11    7   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12                                                      
CONECT   14   12   23   27                                            
CONECT   15    6                                                      
CONECT   16    1                                                      
CONECT   17    3                                                      
CONECT   18   10   19   31                                            
CONECT   19   18   20   30                                            
CONECT   20   19   21   29                                            
CONECT   21   20   22   28                                            
CONECT   22   21   10                                                 
CONECT   23   14   24                                                 
CONECT   24   23   25   35                                            
CONECT   25   24   26   34                                            
CONECT   26   25   27   33                                            
CONECT   27   26   14   32                                            
CONECT   28   21                                                      
CONECT   29   20                                                      
CONECT   30   19                                                      
CONECT   31   18                                                      
CONECT   32   27                                                      
CONECT   33   26                                                      
CONECT   34   25                                                      
CONECT   35   24                                                      
CONECT   36    2   37                                                 
CONECT   37   36                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D09FOM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.296   0.787   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.510  -0.010   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.020  -0.673   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.195  -0.673   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.343  -0.010   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       0.190   0.787   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.540   1.173   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.853   1.278   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.609   0.950   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       0.759   2.098   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.703   0.130   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.459  -0.199   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.123   0.292   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.029   1.112   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.272   1.440   0.000  1.00  0.00           C  
HETATM   16  F   UNL     1       3.692   1.603   0.000  1.00  0.00           F  
HETATM   17  F   UNL     1       3.879  -0.037   0.000  1.00  0.00           F  
HETATM   18  C   UNL     1       0.160  -1.418   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.308  -2.098   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1       0.880  -1.482   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       1.482  -0.833   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.272  -0.868   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.327  -0.052   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.307  -0.223   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.350  -1.047   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.579  -1.343   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.121   0.787   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.709   1.502   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.054  -1.499   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -3.879  -1.499   0.000  1.00  0.00           N  
CONECT    1    2    7   27   28                                       
CONECT    2    1    3   24                                            
CONECT    3    2    4   26                                            
CONECT    4    3    5   18                                            
CONECT    5    4    6                                                 
CONECT    6    5    7    8                                            
CONECT    7    6    1                                                 
CONECT    8    6    9   10                                            
CONECT    9    8   11   15                                            
CONECT   10    8                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15   16                                            
CONECT   15   14    9                                                 
CONECT   16   14                                                      
CONECT   17   13                                                      
CONECT   18    4   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24    2   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25    3                                                 
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29   25   30                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D09FPV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.575  -1.501   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.575  -2.326   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.861  -2.738   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.146  -2.326   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.146  -1.501   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.861  -1.088   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.638  -2.581   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.123  -1.913   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.638  -1.246   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.852  -0.449   0.000  1.00  0.00           C  
HETATM   11  F   UNL     1      -2.289  -2.738   0.000  1.00  0.00           F  
HETATM   12  C   UNL     1       1.649  -0.236   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.863   0.561   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.279   1.145   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.482   0.931   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.269   0.134   0.000  1.00  0.00           C  
HETATM   17  S   UNL     1       1.493   1.942   0.000  1.00  0.00           S  
HETATM   18  N   UNL     1       1.706   2.738   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       2.289   1.728   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1       0.696   2.155   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9   12   16                                            
CONECT   11    2                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   10                                                 
CONECT   17   14   18   19   20                                       
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20   17                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D09FQP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.970   2.901   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.970   2.076   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.256   1.663   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.459   2.076   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.459   2.901   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.256   3.313   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.244   1.821   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.728   2.489   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1       1.244   3.156   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -1.685   1.663   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.399   2.076   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.114   1.663   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.399   2.901   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.938   1.663   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.526   0.949   0.000  1.00  0.00           C  
HETATM   16  F   UNL     1      -4.351   2.378   0.000  1.00  0.00           F  
HETATM   17  F   UNL     1      -4.735   1.450   0.000  1.00  0.00           F  
HETATM   18  C   UNL     1       1.498   1.036   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.014   0.369   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.498  -0.298   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.283  -0.043   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.283   0.781   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.327  -1.105   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.940  -1.657   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.725  -1.403   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.896  -0.596   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       3.338  -1.954   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       3.166  -2.761   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.779  -3.313   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       4.564  -3.059   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       4.735  -2.252   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.122  -1.700   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   18                                            
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    2   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11   14   15                                            
CONECT   13   11                                                      
CONECT   14   12   15   16   17                                       
CONECT   15   14   12                                                 
CONECT   16   14                                                      
CONECT   17   14                                                      
CONECT   18    7   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22   26                                            
CONECT   22   21   18                                                 
CONECT   23   20   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   21                                                 
CONECT   27   25   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END

$$$$

$$$$
D09FVR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.264   1.496   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.212   0.823   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.281   0.161   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.062   0.426   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.052   1.250   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       1.850   0.180   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       2.326   0.854   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.833   1.515   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.079   2.303   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.685   2.862   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.897   3.108   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.114  -0.601   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.749  -1.341   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       2.488  -1.706   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       2.854  -0.967   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.753  -2.488   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.208  -3.108   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       3.562  -2.650   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       0.035  -0.627   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.770  -0.808   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.015  -1.596   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.455  -2.202   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.349  -2.021   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.595  -1.233   0.000  1.00  0.00           C  
HETATM   25 CL   UNL     1      -0.701  -2.990   0.000  1.00  0.00          Cl  
HETATM   26  O   UNL     1      -0.000   2.277   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.037   0.812   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.463   1.519   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.288   1.519   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.687   0.812   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.261   0.106   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1      -1.437   0.106   0.000  1.00  0.00           N  
HETATM   33  N   UNL     1      -3.491   0.626   0.000  1.00  0.00           N  
HETATM   34  N   UNL     1      -3.562  -0.196   0.000  1.00  0.00           N  
HETATM   35  N   UNL     1      -2.802  -0.517   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1      -2.616  -1.321   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.704   2.232   0.000  1.00  0.00           C  
CONECT    1    2    5   26                                            
CONECT    2    1    3   27                                            
CONECT    3    2    4   19                                            
CONECT    4    3    5    6                                            
CONECT    5    4    1    8                                            
CONECT    6    4    7   12                                            
CONECT    7    6    8                                                 
CONECT    8    7    5    9                                            
CONECT    9    8   10   11                                            
CONECT   10    9   11                                                 
CONECT   11   10    9                                                 
CONECT   12    6   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   12                                                 
CONECT   16   14   17   18                                            
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19    3   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22                                                      
CONECT   26    1                                                      
CONECT   27    2   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30   37                                            
CONECT   30   29   31   33                                            
CONECT   31   30   32   35                                            
CONECT   32   31   27                                                 
CONECT   33   30   34                                                 
CONECT   34   35   33                                                 
CONECT   35   34   31   36                                            
CONECT   36   35                                                      
CONECT   37   29                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D09FZF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.798  -0.841   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.798  -1.666   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.083  -2.079   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.369  -1.666   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.369  -0.841   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.083  -0.428   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.346  -2.079   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.060  -1.666   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.060  -0.841   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.346  -0.428   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.346   0.397   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.369  -0.016   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.512  -2.079   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.775  -0.428   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.060   0.809   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.060   1.634   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.728   2.119   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.473   2.904   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       0.648   2.904   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.393   2.119   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       2.512   1.864   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.392   1.864   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.083  -2.904   0.000  1.00  0.00           C  
HETATM   24  H   UNL     1      -0.369  -2.491   0.000  1.00  0.00           H  
CONECT    1    2    6                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4   23                                            
CONECT    4    3    5    7   24                                       
CONECT    5    4    6   10   12                                       
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9    5   11                                            
CONECT   11   10   15                                                 
CONECT   12    5                                                      
CONECT   13    2                                                      
CONECT   14    9                                                      
CONECT   15   11   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   16   22                                            
CONECT   21   17                                                      
CONECT   22   20                                                      
CONECT   23    3                                                      
CONECT   24    4                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D09GFF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.000  -0.309   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.000  -1.134   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.715  -1.547   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.429  -1.134   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.429  -0.309   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.715   0.103   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.214  -1.389   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.699  -0.722   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.214  -0.054   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.469  -2.174   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.917  -2.787   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.276  -2.345   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.828  -1.732   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.469   0.730   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.715   0.928   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.000   1.341   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1       1.429   1.341   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.429   2.166   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.143   2.578   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.858   2.166   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.572   2.578   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.572   3.403   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.858   3.816   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       2.143   3.403   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.287   3.816   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.858   1.341   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.715  -1.547   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.429  -1.134   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.143  -1.547   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.143  -2.372   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -1.429  -2.784   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1      -0.715  -2.372   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1      -2.858  -2.784   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1      -3.572  -2.372   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.287  -2.784   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1      -4.287  -3.609   0.000  1.00  0.00           N  
HETATM   37  C   UNL     1      -3.572  -4.022   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.858  -3.609   0.000  1.00  0.00           C  
HETATM   39  O   UNL     1       1.785   4.022   0.000  1.00  0.00           O  
HETATM   40  C   UNL     1       2.499   3.609   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   27                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   15                                            
CONECT    7    4    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   14                                            
CONECT   10    7   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   13                                                 
CONECT   13   12                                                      
CONECT   14    9                                                      
CONECT   15    6   16   17                                            
CONECT   16   15                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21   26                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19   39                                            
CONECT   25   22                                                      
CONECT   26   20                                                      
CONECT   27    2   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   30   34   38                                            
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   33                                                 
CONECT   39   24   40                                                 
CONECT   40   39                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D09GJQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.088  -0.427   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.088  -1.252   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.374  -1.664   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.659  -1.252   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.659  -0.427   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.374  -0.014   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.803  -0.014   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.517  -0.427   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.517  -1.252   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.803  -1.664   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.803   0.811   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.517   1.223   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.232   0.811   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.232  -0.014   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.055  -1.664   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.770  -1.252   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.484  -1.664   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.199  -1.252   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.913  -1.664   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.628  -1.252   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.158  -2.461   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.269  -2.461   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       0.770  -0.427   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       4.342  -1.664   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.342  -1.252   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.101  -1.835   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.374   0.811   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.517   2.048   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.803   2.461   0.000  1.00  0.00           O  
HETATM   30  H   UNL     1      -4.232  -0.839   0.000  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.088   0.398   0.000  1.00  0.00           H  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   15                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   27                                            
CONECT    7    1    8   11   31                                       
CONECT    8    7    9   14   30                                       
CONECT    9    8   10   25   26                                       
CONECT   10    9    2                                                 
CONECT   11    7   12                                                 
CONECT   12   11   13   28                                            
CONECT   13   12   14                                                 
CONECT   14   13    8                                                 
CONECT   15    4   16   21   22                                       
CONECT   16   15   17   23                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   24                                                 
CONECT   21   15                                                      
CONECT   22   15                                                      
CONECT   23   16                                                      
CONECT   24   20                                                      
CONECT   25    9                                                      
CONECT   26    9                                                      
CONECT   27    6                                                      
CONECT   28   12   29                                                 
CONECT   29   28                                                      
CONECT   30    8                                                      
CONECT   31    7                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D09GMS
  -OEChem-09301911142D

 70 72  0     1  0  0  0  0  0999 V2000
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    4.2436    4.4844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6949   -0.7878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4583    1.6393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0014    6.8070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8094    4.8753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6284    3.1528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6166    8.1386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4356    6.4160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8259    5.1889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0570    2.6573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6002    7.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3859   -1.7388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6448    3.4664    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6393    3.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4191    6.1025    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2381    4.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4246    6.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2271    4.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8760    0.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4638    1.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0179    7.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6949   -0.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2216    4.0663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0233    7.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0039   -1.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1949   -2.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1949   -3.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1949   -5.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3289   -3.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0610   -3.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3289   -4.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0610   -4.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1949   -6.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3289   -6.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0610   -6.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3289   -7.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0610   -7.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1949   -8.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8970    2.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4684    2.7658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1966    3.0900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0357    6.0377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8230    6.0570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4678    5.5885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4425    5.1241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4404    2.7222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3980    4.7668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6699    4.4426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4453    1.3808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3620    0.5881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6194    7.2705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9746    7.7390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7967    0.3679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5936   -1.9304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9646    8.3266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7920   -6.5166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5979   -6.5166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5979   -8.1366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1949   -8.9466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 39  1  0  0  0  0
  2 17  2  0  0  0  0
  3 13  1  0  0  0  0
  3 25  1  0  0  0  0
  4 21  2  0  0  0  0
  5 24  2  0  0  0  0
  6 26  1  0  0  0  0
  6 65  1  0  0  0  0
  7 26  2  0  0  0  0
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 16 10  1  1  0  0  0
 10 17  1  0  0  0  0
 10 48  1  0  0  0  0
 14 11  1  6  0  0  0
 11 21  1  0  0  0  0
 11 49  1  0  0  0  0
 12 24  1  0  0  0  0
 12 59  1  0  0  0  0
 12 60  1  0  0  0  0
 13 29  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 42  1  0  0  0  0
 15 19  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 18  1  0  0  0  0
 16 24  1  0  0  0  0
 16 45  1  0  0  0  0
 18 22  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 26  1  0  0  0  0
 19 50  1  0  0  0  0
 19 51  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 20 52  1  0  0  0  0
 20 53  1  0  0  0  0
 22 27  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 23 25  1  0  0  0  0
 23 56  1  0  0  0  0
 23 57  1  0  0  0  0
 25 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 58  1  0  0  0  0
 29 30  1  0  0  0  0
 30 32  2  0  0  0  0
 30 33  1  0  0  0  0
 31 34  2  0  0  0  0
 31 35  1  0  0  0  0
 31 36  1  0  0  0  0
 32 34  1  0  0  0  0
 32 61  1  0  0  0  0
 33 35  2  0  0  0  0
 33 62  1  0  0  0  0
 34 63  1  0  0  0  0
 35 64  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 67  1  0  0  0  0
 38 40  2  0  0  0  0
 38 68  1  0  0  0  0
 39 41  2  0  0  0  0
 40 41  1  0  0  0  0
 40 69  1  0  0  0  0
 41 70  1  0  0  0  0
M  END

$$$$
D09GSO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.802  -0.133   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.589  -0.930   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.792  -1.144   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.209  -0.560   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.422   0.237   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.219   0.450   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.385  -0.603   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.089   0.167   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.730   0.686   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       0.134  -1.245   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.949  -1.115   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.245  -0.345   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.726   0.296   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.939   1.093   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.356   1.676   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.441   1.463   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.736   1.306   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.617   2.269   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.227   1.714   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1      -2.433   1.247   0.000  1.00  0.00           F  
HETATM   21  O   UNL     1       2.319   0.723   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       1.950   2.103   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.161  -2.015   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.468  -1.757   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.283  -1.628   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.579  -0.857   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.060  -0.216   0.000  1.00  0.00           C  
HETATM   28 CL   UNL     1       2.802  -2.269   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   20                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8    5   16                                            
CONECT   10   11   23                                                 
CONECT   11   10   12   24                                            
CONECT   12   11   13   27                                            
CONECT   13    8   14   12                                            
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15    9   18   19                                       
CONECT   17   14   21   22                                            
CONECT   18   16   19                                                 
CONECT   19   18   16                                                 
CONECT   20    6                                                      
CONECT   21   17                                                      
CONECT   22   17                                                      
CONECT   23   10                                                      
CONECT   24   11   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   12                                                 
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D09GXN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.854   1.331   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.139   1.743   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.425   1.331   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.425   0.505   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.289   0.093   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.004   0.505   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.004   1.331   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.289   1.743   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.568   1.743   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.283   1.331   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.283   0.505   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.568   0.093   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.854   0.505   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.997   0.093   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.712   0.505   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.997  -0.732   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -4.712   1.331   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.426   1.743   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.141   1.331   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -6.141   0.505   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -5.426   0.093   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.426  -0.732   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.718   0.093   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.433   0.505   0.000  1.00  0.00           N  
HETATM   25  O   UNL     1       1.718  -0.732   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       3.147   0.093   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.147  -0.732   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.862  -1.145   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.576  -0.732   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.576   0.093   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.862   0.505   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.291  -1.145   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       6.005  -1.557   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       6.691  -1.963   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       7.001  -1.975   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       7.086  -2.272   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       6.939  -2.810   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       7.222  -3.290   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       7.988  -2.983   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       8.106  -2.167   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       7.457  -1.657   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       7.573  -2.003   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       6.574  -2.780   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.533   3.290   0.000  1.00  0.00           C  
HETATM   45  O   UNL     1      -5.248   2.877   0.000  1.00  0.00           O  
HETATM   46  C   UNL     1      -5.962   3.290   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1      -6.677   2.877   0.000  1.00  0.00           C  
HETATM   48  O   UNL     1      -7.391   3.290   0.000  1.00  0.00           O  
HETATM   49  C   UNL     1      -8.106   2.877   0.000  1.00  0.00           C  
CONECT    1    2    9   13                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7   23                                            
CONECT    7    6    8                                                 
CONECT    8    7    3                                                 
CONECT    9    1   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    1                                                 
CONECT   14   11   15   16                                            
CONECT   15   14   17   21                                            
CONECT   16   14                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   44                                            
CONECT   20   19   21                                                 
CONECT   21   20   15   22                                            
CONECT   22   21                                                      
CONECT   23    6   24   25                                            
CONECT   24   23   26                                                 
CONECT   25   23                                                      
CONECT   26   24   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   29   33                                                 
CONECT   33   32   34                                                 
CONECT   34   35   41   43   33                                       
CONECT   35   34   36                                                 
CONECT   36   35   37   42                                            
CONECT   37   36   38                                                 
CONECT   38   37   39   43                                            
CONECT   39   38   40                                                 
CONECT   40   39   41   42                                            
CONECT   41   40   34                                                 
CONECT   42   40   36                                                 
CONECT   43   38   34                                                 
CONECT   44   19   45                                                 
CONECT   45   44   46                                                 
CONECT   46   45   47                                                 
CONECT   47   46   48                                                 
CONECT   48   47   49                                                 
CONECT   49   48                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
M  END

$$$$
D09HHL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.692   0.841   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.692   0.016   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.407  -0.397   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.121   0.016   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.121   0.841   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.407   1.254   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.022   1.254   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.022   2.079   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.737   2.491   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.451   2.079   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.451   1.254   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.737   0.841   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.166   2.491   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.880   2.079   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.880   1.254   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.166   0.841   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.166   0.016   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.880  -0.397   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1      -1.451  -0.397   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.880  -1.222   0.000  1.00  0.00           C  
HETATM   21  S   UNL     1      -3.548  -1.706   0.000  1.00  0.00           S  
HETATM   22  C   UNL     1      -3.293  -2.491   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.468  -2.491   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.213  -1.706   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       2.833   1.254   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1       2.421   1.968   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1       3.548   1.666   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       3.246   0.539   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   25                                            
CONECT    6    5    1                                                 
CONECT    7    1    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12   16                                            
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11   17                                            
CONECT   17   16   18   19                                            
CONECT   18   17   20                                                 
CONECT   19   17                                                      
CONECT   20   18   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   20                                                 
CONECT   25    5   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END

$$$$

$$$$
D09HTY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.640  -0.177   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.057  -0.760   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.260  -0.547   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.046   0.250   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.630   0.833   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.427   0.620   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.010   1.203   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.677  -1.130   0.000  1.00  0.00           N  
HETATM    9  H   UNL     1      -1.890  -1.927   0.000  1.00  0.00           H  
HETATM   10  C   UNL     1      -0.880  -0.917   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.239  -1.436   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.453  -0.987   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.240  -0.190   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.584  -0.146   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.224  -1.282   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.353  -2.097   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.123  -2.393   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.764  -1.873   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.635  -1.059   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.865  -0.763   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       1.736   0.052   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.377   0.571   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.147   0.275   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       2.248   1.386   0.000  1.00  0.00           O  
HETATM   25  N   UNL     1       3.788   0.795   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       4.558   0.499   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       5.199   1.018   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       5.070   1.833   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       4.300   2.129   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.659   1.609   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.881   2.018   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.616   2.393   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1      -5.199   1.809   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1      -4.825   1.074   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1      -4.437  -0.391   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1      -4.650  -1.185   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       0.965   0.348   0.000  1.00  0.00           C  
CONECT    1   35    2    6                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6   31   34                                            
CONECT    8    3    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   12   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   37   20   22                                            
CONECT   22   21   23   24                                            
CONECT   23   22   25                                                 
CONECT   24   22                                                      
CONECT   25   23   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31    7   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33    7                                                 
CONECT   35   36    1                                                 
CONECT   36   35                                                      
CONECT   37   21                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D09HVV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429  -0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.429  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.715  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.000  -0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.715   0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.715  -1.238   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.715   1.237   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.000   1.650   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       0.000   2.475   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1       0.715   1.237   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.429   1.650   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.143   1.237   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.858   1.650   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.858   2.475   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.143   2.887   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.429   2.475   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.143   0.412   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.858  -0.000   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.143   1.237   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.858   1.650   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.858   2.475   0.000  1.00  0.00           C  
HETATM   23  F   UNL     1       3.572   2.887   0.000  1.00  0.00           F  
HETATM   24  C   UNL     1      -2.858  -0.825   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.143  -1.238   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.572   1.237   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.572  -1.238   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1       0.715   2.887   0.000  1.00  0.00           F  
HETATM   29  C   UNL     1       1.429  -0.825   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.143  -1.238   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       2.858  -0.825   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       2.143  -2.063   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       0.715  -2.063   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1      -0.110  -2.063   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1       0.715  -2.887   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1       1.539  -2.063   0.000  1.00  0.00           F  
CONECT    1    2    6   18                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    4   29   33                                            
CONECT    8    6    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   23                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   28                                            
CONECT   18    1   19   20                                            
CONECT   19   18   24                                                 
CONECT   20   18   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21                                                      
CONECT   23   15                                                      
CONECT   24   19   25   27                                            
CONECT   25   24                                                      
CONECT   26   21                                                      
CONECT   27   24                                                      
CONECT   28   17                                                      
CONECT   29    7   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   34   35   36    7                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D09IGN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.263   0.373   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.263  -0.452   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.478  -0.707   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.994  -0.040   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.478   0.628   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.169  -0.040   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.931  -0.937   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.244  -0.754   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.069  -0.754   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.481  -0.040   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.069   0.675   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.244   0.675   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.481  -1.469   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.306  -1.469   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.719  -0.754   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.306  -0.040   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.684  -0.602   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.352  -1.087   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.266  -1.907   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.512  -2.243   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.844  -1.758   0.000  1.00  0.00           C  
HETATM   22 CL   UNL     1      -5.105  -0.751   0.000  1.00  0.00          Cl  
HETATM   23 CL   UNL     1      -3.426  -3.063   0.000  1.00  0.00          Cl  
HETATM   24  O   UNL     1       3.544  -0.754   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       3.956  -1.469   0.000  1.00  0.00           C  
HETATM   26  S   UNL     1      -1.224   1.412   0.000  1.00  0.00           S  
HETATM   27  C   UNL     1      -0.427   1.626   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.157   1.042   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.954   1.256   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.167   2.053   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.584   2.636   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.213   2.423   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.964   2.266   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       2.178   3.063   0.000  1.00  0.00           O  
HETATM   35  N   UNL     1       2.547   1.683   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1       3.344   1.897   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.928   1.313   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1      -2.049   1.412   0.000  1.00  0.00           O  
HETATM   39  O   UNL     1      -1.437   2.209   0.000  1.00  0.00           O  
HETATM   40  C   UNL     1       4.693   1.504   0.000  1.00  0.00           C  
HETATM   41  O   UNL     1       5.105   2.219   0.000  1.00  0.00           O  
HETATM   42  O   UNL     1       5.105   0.790   0.000  1.00  0.00           O  
CONECT    1    2    5                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    1   26                                            
CONECT    6    4    8   12                                            
CONECT    7    2   17   21                                            
CONECT    8    6    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11   16                                            
CONECT   11   10   12                                                 
CONECT   12   11    6                                                 
CONECT   13    9   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   24                                            
CONECT   16   15   10                                                 
CONECT   17    7   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20    7                                                 
CONECT   22   18                                                      
CONECT   23   20                                                      
CONECT   24   15   25                                                 
CONECT   25   24                                                      
CONECT   26    5   27   38   39                                       
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   30   34   35                                            
CONECT   34   33                                                      
CONECT   35   33   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   40                                                 
CONECT   38   26                                                      
CONECT   39   26                                                      
CONECT   40   37   41   42                                            
CONECT   41   40                                                      
CONECT   42   40                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D09IKN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.939   0.180   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.939  -0.645   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.224  -1.057   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.490  -0.645   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.490   0.180   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.224   0.593   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.275  -0.900   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.760  -0.232   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.275   0.435   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.585  -0.232   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.997  -0.947   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.822  -0.947   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       4.235  -0.232   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.822   0.482   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.997   0.482   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.224   1.418   0.000  1.00  0.00           O  
HETATM   17 CL   UNL     1       5.060  -0.232   0.000  1.00  0.00          Cl  
HETATM   18  C   UNL     1      -0.224  -1.882   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.490  -2.295   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.205  -1.882   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.919  -2.295   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.634  -1.882   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.653  -1.057   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.407  -0.722   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.959  -1.335   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.546  -2.049   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.739  -1.878   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.620   0.075   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.335   0.488   0.000  1.00  0.00           N  
HETATM   30  O   UNL     1      -1.906   0.488   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -3.548   1.284   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.345   1.498   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1      -5.060   1.085   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1      -4.559   2.295   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   23                                            
CONECT    3    2    4   18                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   16                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    6                                                      
CONECT   17   13                                                      
CONECT   18    3   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21                                                      
CONECT   23    2   24   27                                            
CONECT   24   23   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   23                                                 
CONECT   28   24   29   30                                            
CONECT   29   28   31                                                 
CONECT   30   28                                                      
CONECT   31   29   32                                                 
CONECT   32   31   33   34                                            
CONECT   33   32                                                      
CONECT   34   32                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D09IOW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  O   UNL     1       0.785   0.369   0.000  1.00  0.00           O  
HETATM    2  C   UNL     1       0.785  -0.456   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.071  -0.868   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.071  -1.693   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.785  -2.106   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       1.500  -1.693   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.500  -0.868   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.284  -1.948   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.769  -1.281   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.284  -0.613   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.472   0.826   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.211   0.459   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.848   0.885   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.847   1.739   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.108   2.106   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.466   1.669   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       3.517   0.370   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       4.188   0.761   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.931   0.369   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       5.645   0.782   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       4.188   1.586   0.000  1.00  0.00           O  
HETATM   22  N   UNL     1      -0.644  -2.106   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.358  -1.693   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.358  -0.868   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.073  -0.456   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.787  -0.868   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.787  -1.693   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.073  -2.106   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1      -3.502  -2.106   0.000  1.00  0.00           F  
HETATM   30  N   UNL     1      -3.502  -0.456   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -3.502   0.369   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.216   0.782   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1      -4.931   0.369   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1      -4.931  -0.456   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.216  -0.868   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.645   0.782   0.000  1.00  0.00           C  
CONECT    1    2   11                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   22                                            
CONECT    5    4    6                                                 
CONECT    6    5    7    8                                            
CONECT    7    6    2   10                                            
CONECT    8    6    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    7                                                 
CONECT   11    1   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   13   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19                                                      
CONECT   21   18                                                      
CONECT   22    4   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   28   29                                            
CONECT   28   27   23                                                 
CONECT   29   27                                                      
CONECT   30   26   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   36                                            
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
CONECT   36   33                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D09ISI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.346  -0.168   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.346  -0.993   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.631  -1.405   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.917  -0.993   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.917  -0.168   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.631   0.245   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.132  -1.248   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.353  -0.580   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.132   0.087   0.000  1.00  0.00           C  
HETATM   10  F   UNL     1      -3.060   0.245   0.000  1.00  0.00           F  
HETATM   11  C   UNL     1       1.178  -0.580   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.663  -1.248   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       2.447  -0.993   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.447  -0.168   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.663   0.087   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       1.408  -2.032   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       3.060   0.384   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.889   1.191   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.104   1.446   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.491   0.894   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.498   0.422   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1      -0.299   0.635   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1       1.719   2.032   0.000  1.00  0.00           N1+
HETATM   24  O   UNL     1       2.515   1.819   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1       1.135   1.449   0.000  1.00  0.00           O1-
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8    5   21                                            
CONECT   10    1                                                      
CONECT   11    8   12   15                                            
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   11   20                                            
CONECT   16   12                                                      
CONECT   17   14   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   15                                                 
CONECT   21    9   22                                                 
CONECT   22   21                                                      
CONECT   23   19   24   25                                            
CONECT   24   23                                                      
CONECT   25   23                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D09IYH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.647   1.324   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.647   0.499   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.932   0.086   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.218   0.499   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.218   1.324   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.932   1.736   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.503   0.086   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.417  -0.734   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -1.610  -0.906   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.198  -0.191   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.750   0.422   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -5.361   1.736   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1      -3.030  -1.286   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.815  -1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.428  -1.583   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.256  -2.390   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.472  -2.645   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.858  -2.093   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -2.074  -2.348   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1      -1.578   1.229   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.377  -0.105   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       0.108  -0.772   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1      -0.042   0.649   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       0.933  -0.772   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.516  -0.189   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.313  -0.403   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.897   0.181   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.683   0.978   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.886   1.191   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.303   0.608   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.266   1.561   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       4.063   1.347   0.000  1.00  0.00           N  
HETATM   33  S   UNL     1       4.647   1.931   0.000  1.00  0.00           S  
HETATM   34  C   UNL     1       3.932   2.343   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1       5.361   1.518   0.000  1.00  0.00           O  
HETATM   36  O   UNL     1       5.059   2.645   0.000  1.00  0.00           O  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   21                                            
CONECT   11   10    7   20                                            
CONECT   12    1                                                      
CONECT   13    8   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13   19                                            
CONECT   19   18                                                      
CONECT   20   11                                                      
CONECT   21   10   22   23                                            
CONECT   22   21   24                                                 
CONECT   23   21                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   28   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   35   36                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D09JFR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.221   1.474   0.000  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.686   0.792   0.000  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.180   0.140   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.404   0.419   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429   1.244   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.677   0.029   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.024   0.463   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.001   1.288   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.728   1.678   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.501   2.251   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.967  -0.657   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.895  -0.273   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.609   0.140   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.324  -0.273   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.609   0.965   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.550  -1.240   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.337  -2.037   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.540  -2.251   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.956  -1.667   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.170  -0.870   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.751   0.073   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       0.764  -0.752   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.466   0.485   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.180   0.073   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.895   0.485   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.895   1.310   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.180   1.723   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       1.466   1.310   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       3.609   0.073   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.324   0.485   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.324   1.310   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.609   1.723   0.000  1.00  0.00           C  
CONECT    1    2    5   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   11   12                                       
CONECT    4    3    5    6                                            
CONECT    5    4    1    9                                            
CONECT    6    4    7                                                 
CONECT    7    6    8   21                                            
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    1                                                      
CONECT   11    3   16   20                                            
CONECT   12    3   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   11   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   11                                                 
CONECT   21    7   22   23                                            
CONECT   22   21                                                      
CONECT   23   21   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27   32                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   25   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   26                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D09JLL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.369  -0.991   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.369  -1.816   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.654  -2.229   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.940  -1.816   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.940  -0.991   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.654  -0.579   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.153  -0.736   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.638  -1.404   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.153  -2.071   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.408   0.048   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.225  -0.579   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -5.205   0.262   0.000  1.00  0.00           O  
HETATM   13  N   UNL     1      -3.840   0.647   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.075   1.438   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.511  -0.991   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.204  -0.579   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.204   0.246   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.511   0.659   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.225   0.246   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.918  -0.991   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.633  -0.579   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.347  -0.991   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.633   0.246   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       3.062  -0.579   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.507   2.036   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.877   1.630   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.309   2.229   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.776  -0.991   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       4.491  -0.579   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       5.205  -0.991   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.491   0.246   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    1    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    7   12   13                                            
CONECT   11    5   15   19                                            
CONECT   12   10                                                      
CONECT   13   10   14                                                 
CONECT   14   13   25   26   27                                       
CONECT   15   11   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   11                                                 
CONECT   20   16   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   24                                                 
CONECT   23   21                                                      
CONECT   24   22   28                                                 
CONECT   25   14                                                      
CONECT   26   14                                                      
CONECT   27   14                                                      
CONECT   28   24   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29                                                      
CONECT   31   29                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D09JLP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.724  -0.523   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.724   0.302   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.010   0.714   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.296   0.302   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.296  -0.523   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.010  -0.936   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.439  -0.936   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.419   0.714   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.133   0.302   0.000  1.00  0.00           C  
HETATM   10  S   UNL     1       1.220  -0.519   0.000  1.00  0.00           S  
HETATM   11  C   UNL     1       2.026  -0.690   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.439   0.024   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.887   0.637   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       2.058   1.444   0.000  1.00  0.00           O  
HETATM   15  S   UNL     1       2.362  -1.444   0.000  1.00  0.00           S  
HETATM   16  O   UNL     1       0.419  -0.936   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6   16                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    4    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12    9   14                                            
CONECT   14   13                                                      
CONECT   15   11                                                      
CONECT   16    5                                                      
MASTER        0    0    0    0    0    0    0    0   16    0   16    0
END
M  END

$$$$
D09JPJ
  -OEChem-09301911252D

 30 32  0     1  0  0  0  0  0999 V2000
    4.2690    1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -1.1497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.8450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812    0.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1648   -1.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1648    0.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1648   -1.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1648    0.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6648   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -1.8200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -1.8200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738    1.0490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8548   -1.7480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8548    1.0580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4748   -1.7480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4748    1.0580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2848   -0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 27  1  0  0  0  0
  2 11  2  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  9  2  0  0  0  0
  8  6  1  6  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 11  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 25  1  0  0  0  0
 15 17  2  0  0  0  0
 15 26  1  0  0  0  0
 16 18  2  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END

$$$$
D09JTT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   0.412   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.357  -1.238   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.357  -0.825   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.357   0.000   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.357   0.412   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.357   1.238   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.357   1.650   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.072   1.238   0.000  1.00  0.00           N  
HETATM   14  O   UNL     1       0.357   2.475   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.072  -1.238   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.072  -2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.786  -2.475   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.501  -2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.501  -1.238   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.786  -0.825   0.000  1.00  0.00           C  
HETATM   21  H   UNL     1       0.357  -2.475   0.000  1.00  0.00           H  
HETATM   22  C   UNL     1       2.142   0.619   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.427   1.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.786   1.650   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   15                                            
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   23   24                                            
CONECT   14   12                                                      
CONECT   15    8   16   20                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   16                                                      
CONECT   22   23                                                      
CONECT   23   13   22                                                 
CONECT   24   13                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D09JVJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143   2.475   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143   1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429   1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715   1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715   2.475   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429   2.888   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.000   2.888   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.715   2.475   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.715   1.650   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.429   1.238   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.143   1.650   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.143   2.475   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.429   2.888   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.858   1.238   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.715   0.000   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.715  -0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.429  -1.238   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.143  -0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.143   0.000   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       1.429  -2.062   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       2.143  -2.475   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.143  -3.300   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.858  -3.712   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       3.572  -3.300   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       3.572  -2.475   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.858  -2.062   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.858   2.888   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.858   3.712   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.858   0.412   0.000  1.00  0.00           N  
HETATM   31  O   UNL     1      -3.572   1.650   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.572   0.000   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.143   0.000   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.572  -0.825   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1      -2.858  -1.238   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1      -2.143  -0.825   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.858  -2.062   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       2.857  -1.238   0.000  1.00  0.00           C  
HETATM   39  N   UNL     1       2.032  -1.238   0.000  1.00  0.00           N  
CONECT    1    2    6   28                                            
CONECT    2    1    3   14                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    2   30   31                                            
CONECT   15   10   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20   38                                            
CONECT   20   19   15                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28    1   29                                                 
CONECT   29   28                                                      
CONECT   30   14   32   33                                            
CONECT   31   14                                                      
CONECT   32   30   34                                                 
CONECT   33   30                                                      
CONECT   34   32   35                                                 
CONECT   35   34   36   37                                            
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   19   39                                                 
CONECT   39   38                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D09JZA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.859   1.339   0.000  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.859   0.514   0.000  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.145   0.102   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.430   0.514   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.430   1.339   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.145   1.752   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.716   1.752   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.001   1.339   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.001   0.514   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.713   0.102   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.428   0.514   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.428   1.339   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.713   1.752   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.142   0.102   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.857   0.514   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.857   1.339   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.142   1.752   0.000  1.00  0.00           N  
HETATM   18  F   UNL     1       0.713   2.576   0.000  1.00  0.00           F  
HETATM   19  C   UNL     1       3.571   1.752   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       4.286   1.339   0.000  1.00  0.00           N  
HETATM   21  O   UNL     1       3.571   2.576   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       2.142  -0.724   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.475  -1.208   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       1.730  -1.993   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1       2.555  -1.993   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       2.810  -1.208   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.138  -2.576   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.574   1.752   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1      -3.163   2.463   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -4.286   2.163   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -3.985   1.040   0.000  1.00  0.00           F  
CONECT    1   28    2    6                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13   17                                            
CONECT   13   12    8   18                                            
CONECT   14   11   15   22                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   12                                                 
CONECT   18   13                                                      
CONECT   19   16   20   21                                            
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   14   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   22                                                 
CONECT   27   25                                                      
CONECT   28   29   30   31    1                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D09KCN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.365   1.955   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.365   1.130   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.651   0.717   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.936   1.130   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.936   1.955   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.651   2.367   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.150   2.209   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.635   1.542   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.150   0.875   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.405   2.994   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.651  -0.108   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.222   0.717   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.507   1.130   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.793   0.717   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1      -2.222  -0.108   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.793  -0.108   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.078  -0.520   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.636  -0.108   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.636   0.717   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.078   1.130   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.636  -0.933   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.350  -1.345   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.065  -0.933   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       2.065  -0.108   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.350   0.305   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.779  -1.345   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       2.779  -2.170   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       3.494  -2.583   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.208  -2.170   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       4.208  -1.345   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       3.494  -0.933   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.923  -2.583   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       5.635  -2.994   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   11                                            
CONECT    4    3    5   12                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    7                                                      
CONECT   11    3                                                      
CONECT   12    4   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13   16   20                                            
CONECT   15   12                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21   25                                       
CONECT   19   18   20                                                 
CONECT   20   19   14                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   18                                                 
CONECT   26   23   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   32   28   30                                            
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   33   29                                                 
CONECT   33   32                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D09KTX
  -OEChem-09301911172D

 51 52  0     1  0  0  0  0  0999 V2000
    5.5821    0.1432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1278   -3.2349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2572    2.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7602   -6.7846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3425   -6.0801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -5.6620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7657   -6.6800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5251    2.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101   -2.5304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5290   -4.2530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1232    6.7310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3911    6.7310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9413   -5.0620    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3034   -1.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8911   -0.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467   -4.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1223   -3.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7046   -2.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8911   -0.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3480   -5.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3911    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2002    0.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3590   -5.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3911    1.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2572    3.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2572    5.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1232    3.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3911    3.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1232    4.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3911    4.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2572    6.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5579   -5.1268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8727   -1.1709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7894   -1.9636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1456   -4.3178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1176   -4.3615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3895   -4.6857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6398   -3.2516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3212   -2.6998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7694   -2.0184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2556   -1.3095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7898    0.3348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0124   -7.3510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6601    3.4210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542    3.4210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6601    5.0410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542    5.0410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.1636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1232    7.3510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6601    6.4210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3911    7.3510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 21  1  0  0  0  0
  2 17  2  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 20  1  0  0  0  0
  4 43  1  0  0  0  0
  5 20  2  0  0  0  0
  6 23  1  0  0  0  0
  6 48  1  0  0  0  0
  7 23  2  0  0  0  0
  8 24  2  0  0  0  0
  9 14  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 13 10  1  6  0  0  0
 10 17  1  0  0  0  0
 10 35  1  0  0  0  0
 11 31  1  0  0  0  0
 11 49  1  0  0  0  0
 11 50  1  0  0  0  0
 12 31  2  0  0  0  0
 12 51  1  0  0  0  0
 13 16  1  0  0  0  0
 13 20  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 19  2  0  0  0  0
 16 23  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 22  1  0  0  0  0
 19 41  1  0  0  0  0
 21 22  2  0  0  0  0
 21 24  1  0  0  0  0
 22 42  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 26 29  2  0  0  0  0
 26 30  1  0  0  0  0
 26 31  1  0  0  0  0
 27 29  1  0  0  0  0
 27 44  1  0  0  0  0
 28 30  2  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
 30 47  1  0  0  0  0
M  END

$$$$
D09KWM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.965  -1.984   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.965  -2.809   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.250  -3.221   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.536  -2.809   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.536  -1.984   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.250  -1.571   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.250  -0.746   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.821  -3.221   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1      -4.679  -3.221   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.536  -0.334   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.536   0.491   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.821   0.904   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.821   1.729   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.536   2.141   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.250   1.729   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.250   0.904   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.037   0.649   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.552   1.316   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.037   1.984   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.037   2.809   0.000  1.00  0.00           C  
HETATM   21  H   UNL     1      -1.821   0.079   0.000  1.00  0.00           H  
HETATM   22  C   UNL     1      -1.751   3.221   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.322   3.221   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.392   2.809   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.107   3.221   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.821   2.809   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.536   3.221   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.735   2.549   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.250  -4.046   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       1.107   4.046   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       1.409   2.094   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.234   2.094   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       2.536   4.046   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1       3.250   2.809   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.965   3.221   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.679   2.809   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    9                                            
CONECT    3    2    4   29                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6   10                                                 
CONECT    8    4                                                      
CONECT    9    2                                                      
CONECT   10    7   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13   17   21                                       
CONECT   13   12   14   19   28                                       
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   12   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   13   20                                            
CONECT   20   19   22   23                                            
CONECT   21   12                                                      
CONECT   22   20                                                      
CONECT   23   20   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27   31   32                                       
CONECT   27   26   33   34                                            
CONECT   28   13                                                      
CONECT   29    3                                                      
CONECT   30   25                                                      
CONECT   31   26   32                                                 
CONECT   32   31   26                                                 
CONECT   33   27                                                      
CONECT   34   27   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D09KYB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.393   0.619   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.393  -0.206   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.107  -0.619   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.822  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.822   0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.107   1.031   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.322  -0.619   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.036  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.122   0.614   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.929   0.786   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1      -2.342   0.071   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.790  -0.542   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.162  -0.015   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.647   0.652   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.468   0.566   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -4.803  -0.187   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -4.318  -0.855   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.498  -0.769   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.624  -0.274   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.109   0.394   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.959  -1.027   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.536  -0.619   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.251  -0.206   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.965  -0.619   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.965  -1.444   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.680  -1.856   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       5.394  -1.444   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.394  -0.619   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.680  -0.206   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.680   0.619   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.394   1.031   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       6.109   0.619   0.000  1.00  0.00           N  
HETATM   33  O   UNL     1       5.394   1.856   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1       2.536   1.031   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1       2.947   0.319   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1       3.248   1.442   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1       2.125   1.743   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   22                                            
CONECT    5   34    4    6                                            
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11    8                                                 
CONECT   13   11   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16   20   21                                            
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22    4   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24   30                                            
CONECT   30   29   31                                                 
CONECT   31   30   32   33                                            
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   35   36   37    5                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D09LAD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.571   1.347   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.571   0.522   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.857   0.109   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.142   0.522   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.142   1.347   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.857   1.759   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -4.286   1.759   0.000  1.00  0.00          Cl  
HETATM    8  N   UNL     1      -2.857  -0.716   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.428   0.109   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.713   0.522   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.001   0.109   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.716   0.522   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.716   1.347   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.001   1.759   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.713   1.347   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.430   1.759   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.145   1.347   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       1.430   2.584   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.859   1.759   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.524  -1.201   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.269  -1.985   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.444  -1.985   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.189  -1.201   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.959  -2.653   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1      -2.295  -3.406   0.000  1.00  0.00           F  
HETATM   26  C   UNL     1       3.574   1.347   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       3.163   0.635   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       4.286   0.936   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1       3.985   2.059   0.000  1.00  0.00           F  
HETATM   30  C   UNL     1       2.859   2.584   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       3.681   2.584   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       2.859   3.406   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       2.037   2.584   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    3   20   23                                            
CONECT    9    4   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16   19                                                 
CONECT   18   16                                                      
CONECT   19   26   30   17                                            
CONECT   20    8   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22    8                                                 
CONECT   24   22   25                                                 
CONECT   25   24                                                      
CONECT   26   27   28   29   19                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30   31   32   33   19                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D09LDU
  -OEChem-09301911132D

 43 45  0     0  0  0  0  0  0999 V2000
    2.0000   -2.0950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    3.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    4.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    4.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    3.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    4.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    5.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    5.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    4.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    5.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    5.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 18  2  0  0  0  0
  3 24  1  0  0  0  0
  3 43  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  4 36  1  0  0  0  0
  5 14  2  0  0  0  0
  5 17  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  2  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 39  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 13  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 37  1  0  0  0  0
 16 18  1  0  0  0  0
 17 38  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 40  1  0  0  0  0
 22 24  2  0  0  0  0
 22 41  1  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
M  END

$$$$
D09LKN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.357   0.290   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.357  -0.535   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.357  -0.948   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.072  -0.535   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.072   0.290   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.357   0.702   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.786  -0.948   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.786  -1.773   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.501  -2.185   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.215  -1.773   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.215  -0.948   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.501  -0.535   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.072   0.702   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.786   0.290   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.501   0.702   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.215   0.290   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.072  -0.948   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.786  -0.535   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.501  -0.948   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.215  -0.535   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.930  -0.948   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       0.357   1.527   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.072   1.940   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       1.072   2.765   0.000  1.00  0.00           O  
HETATM   25  N   UNL     1       1.786   1.527   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       2.501   1.940   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.072  -2.185   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       0.318  -1.850   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1      -0.234  -2.463   0.000  1.00  0.00           N  
HETATM   30  N   UNL     1       0.178  -3.177   0.000  1.00  0.00           N  
HETATM   31  N   UNL     1       0.986  -3.006   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       3.215   1.527   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.930   1.940   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.930   2.765   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.215   3.177   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.501   2.765   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1       1.786   3.177   0.000  1.00  0.00           F  
CONECT    1    2    6   13                                            
CONECT    2    1    3   17                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   22                                            
CONECT    7    4    8   12                                            
CONECT    8    7    9   27                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    1   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15                                                      
CONECT   17    2   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20                                                      
CONECT   22    6   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23                                                      
CONECT   25   23   26                                                 
CONECT   26   25   32   36                                            
CONECT   27    8   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   27                                                 
CONECT   32   26   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   26   37                                            
CONECT   37   36                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D09MHU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.367  -0.523   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.367   0.302   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.653   0.714   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.062   0.302   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.062  -0.523   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.653  -0.936   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.082   0.714   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1      -2.082  -0.936   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.796  -0.523   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.776   0.714   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.491   0.302   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.577  -0.519   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.384  -0.690   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       2.796   0.024   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       2.244   0.637   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       2.416   1.444   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1       2.719  -1.444   0.000  1.00  0.00           O  
CONECT    1    2    6    8                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    1    9                                                 
CONECT    9    8                                                      
CONECT   10    4   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   11   16                                            
CONECT   16   15                                                      
CONECT   17   13                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D09MSN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.590   0.237   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.590  -0.588   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.195  -0.843   0.000  1.00  0.00           N  
HETATM    4  N   UNL     1       0.680  -0.175   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.195   0.492   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.257   0.722   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.257  -1.073   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.054  -0.859   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.637  -1.442   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.434  -1.229   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.018  -1.812   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.804  -2.609   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.007  -2.823   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.424  -2.239   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1       0.450   1.277   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1       1.247   1.490   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.830   0.907   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.627   1.121   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.841   1.917   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.257   2.501   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.460   2.287   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.617   0.110   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.200  -0.473   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.997  -0.260   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.211   0.537   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.171   1.543   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.838   2.028   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.592   1.692   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.678   0.872   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.011   0.387   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       3.605   2.108   0.000  1.00  0.00           N1+
HETATM   32  O   UNL     1       4.018   2.823   0.000  1.00  0.00           O  
HETATM   33  O   UNL     1       4.018   1.394   0.000  1.00  0.00           O1-
CONECT    1    2    5    6                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    1   15                                            
CONECT    6    1   26   30                                            
CONECT    7    2    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    5   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18   22                                            
CONECT   18   17   19   25                                            
CONECT   19   18   20   31                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   17   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   18                                                 
CONECT   26    6   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29    6                                                 
CONECT   31   19   32   33                                            
CONECT   32   31                                                      
CONECT   33   31                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D09NCT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.787   0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.787   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.073  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.359   0.000   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.359   0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.073   1.238   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.644   1.238   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.644   2.062   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.359   2.475   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.073   2.062   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.930   0.825   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.215   1.238   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.501   0.825   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.501   0.000   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.786  -0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.786  -1.238   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.072  -1.650   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.357  -1.238   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.357  -0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.072   0.000   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.357  -1.650   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.072  -1.238   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.786  -1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.501  -1.238   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.215  -1.650   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.930  -1.238   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       4.644  -1.650   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       5.359  -1.238   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       6.073  -1.650   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       5.359  -0.412   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       6.073   0.000   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       6.073   0.825   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       6.787   1.238   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1       4.644  -2.475   0.000  1.00  0.00           O  
HETATM   35  O   UNL     1       5.359   1.238   0.000  1.00  0.00           O  
HETATM   36  O   UNL     1      -3.215   2.062   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   10                                            
CONECT    7    5    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    6                                                 
CONECT   11    7   12                                                 
CONECT   12   11   13   36                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   34                                            
CONECT   28   27   29   30                                            
CONECT   29   28                                                      
CONECT   30   28   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   35                                            
CONECT   33   32                                                      
CONECT   34   27                                                      
CONECT   35   32                                                      
CONECT   36   12                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D09NFI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.518  -0.948   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.518  -1.773   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.803  -2.186   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.089  -1.773   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.089  -0.948   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.803  -0.536   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.626  -2.186   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.340  -1.773   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.340  -0.948   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.626  -0.536   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.055  -0.536   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.055   0.289   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.340   0.702   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.626   0.289   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.839  -0.791   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.324  -0.123   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.839   0.544   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.232  -2.186   0.000  1.00  0.00           O  
HETATM   19  H   UNL     1       1.340  -0.123   0.000  1.00  0.00           H  
HETATM   20  C   UNL     1       2.141   1.110   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       2.141  -1.356   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       3.094   1.329   0.000  1.00  0.00           C  
HETATM   23  H   UNL     1      -1.518  -2.598   0.000  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.089  -2.598   0.000  1.00  0.00           H  
HETATM   25  H   UNL     1       0.626  -1.361   0.000  1.00  0.00           H  
HETATM   26  O   UNL     1      -2.232  -0.536   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       3.919   1.329   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.174   2.113   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       3.507   2.598   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       2.839   2.113   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       4.959   2.368   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -2.947  -0.948   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.661  -0.536   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.375  -0.948   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.375  -1.773   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1      -3.661  -2.186   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1      -2.947  -1.773   0.000  1.00  0.00           C  
HETATM   38  S   UNL     1      -3.447   0.261   0.000  1.00  0.00           S  
HETATM   39  C   UNL     1      -4.139   0.710   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.781   0.191   0.000  1.00  0.00           C  
HETATM   41  N   UNL     1      -4.485  -0.579   0.000  1.00  0.00           N  
HETATM   42  O   UNL     1      -2.947  -0.123   0.000  1.00  0.00           O  
HETATM   43  H   UNL     1      -2.947  -2.598   0.000  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.375  -2.598   0.000  1.00  0.00           H  
HETATM   45  C   UNL     1      -4.959  -2.357   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1      -0.119  -0.547   0.000  1.00  0.00           C  
HETATM   47  O   UNL     1      -0.702   0.036   0.000  1.00  0.00           O  
CONECT    1    2    6   26                                            
CONECT    2    1    3   18   23                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    7   24                                       
CONECT    5    4    6   10   46                                       
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11   19                                       
CONECT   10    9    5   14   25                                       
CONECT   11    9   12   15   21                                       
CONECT   12   11   13   17   20                                       
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   22                                            
CONECT   18    2   37                                                 
CONECT   19    9                                                      
CONECT   20   12                                                      
CONECT   21   11                                                      
CONECT   22   17   27   30                                            
CONECT   23    2                                                      
CONECT   24    4                                                      
CONECT   25   10                                                      
CONECT   26    1   32                                                 
CONECT   27   22   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   22                                                 
CONECT   31   28                                                      
CONECT   32   26   33   37   42                                       
CONECT   33   32   34   38   41                                       
CONECT   34   33   35                                                 
CONECT   35   34   36   44   45                                       
CONECT   36   35   37                                                 
CONECT   37   36   32   18   43                                       
CONECT   38   33   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41                                                 
CONECT   41   40   33                                                 
CONECT   42   32                                                      
CONECT   43   37                                                      
CONECT   44   35                                                      
CONECT   45   35                                                      
CONECT   46    5   47                                                 
CONECT   47   46                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
M  END

$$$$
D09NRH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.420   1.403   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.708   1.814   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.004   1.403   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.004   0.581   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.716   0.170   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.428   0.581   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.428   1.403   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.716   1.814   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.140   0.170   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.852   0.581   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.852   1.403   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.140   1.814   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       3.564   1.814   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       4.276   1.403   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       3.564   2.636   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       2.140  -0.652   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.472  -1.137   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.727  -1.922   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.552  -1.922   0.000  1.00  0.00           C  
HETATM   20  S   UNL     1       2.807  -1.137   0.000  1.00  0.00           S  
HETATM   21  C   UNL     1       2.965  -2.636   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.135   1.816   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.849   1.403   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.849   0.578   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.135   0.166   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.420   0.578   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.564   1.816   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1      -3.153   2.528   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -4.276   2.227   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -3.975   1.104   0.000  1.00  0.00           F  
CONECT    1    2   22   26                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7    9                                            
CONECT    7    6    8   12                                            
CONECT    8    7    3                                                 
CONECT    9    6   10   16                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11    7                                                 
CONECT   13   11   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16    9   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   16                                                 
CONECT   21   19                                                      
CONECT   22    1   23                                                 
CONECT   23   27   22   24                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25    1                                                 
CONECT   27   28   29   30   23                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D09OGH
  -OEChem-09301911132D

 52 56  0     0  0  0  0  0  0999 V2000
    2.0000   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9446   -0.5346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561    0.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561    2.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9490    3.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979    0.6671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979    2.3329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 22  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4 14  1  0  0  0  0
  4 17  1  0  0  0  0
  4 43  1  0  0  0  0
  5 17  1  0  0  0  0
  5 20  2  0  0  0  0
  6 22  1  0  0  0  0
  6 25  1  0  0  0  0
  6 46  1  0  0  0  0
  7  9  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 10  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 39  1  0  0  0  0
 13 16  2  0  0  0  0
 13 40  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 22  1  0  0  0  0
 19 21  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 21 44  1  0  0  0  0
 23 25  2  0  0  0  0
 23 45  1  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 47  1  0  0  0  0
 26 28  1  0  0  0  0
 26 48  1  0  0  0  0
 27 29  2  0  0  0  0
 27 49  1  0  0  0  0
 28 30  2  0  0  0  0
 28 50  1  0  0  0  0
 29 30  1  0  0  0  0
 29 51  1  0  0  0  0
 30 52  1  0  0  0  0
M  END

$$$$
D09OGV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.418  -0.961   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.418  -1.786   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.703  -2.199   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.989  -1.786   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.989  -0.961   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.703  -0.549   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.274  -2.199   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.560  -1.786   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.560  -0.961   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.274  -0.549   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.155  -0.549   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.155   0.276   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.560   0.689   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.274   0.276   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.939  -0.804   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.424  -0.136   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.939   0.531   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.249  -0.136   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.132  -2.199   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.989  -0.136   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.155   1.101   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.194   1.316   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       0.642   1.929   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       1.895   1.402   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       2.258   2.143   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       3.081   2.199   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       2.734  -0.804   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.519  -0.549   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       3.519   0.276   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       2.734   0.531   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.563  -1.611   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.176  -2.163   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.960  -1.908   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.132  -1.101   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   19                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10   20                                       
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12   15                                            
CONECT   12   11   13   17   21                                       
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   12   22                                            
CONECT   18   16   27   30                                            
CONECT   19    2                                                      
CONECT   20    5                                                      
CONECT   21   12                                                      
CONECT   22   17   23   24                                            
CONECT   23   22                                                      
CONECT   24   25   22                                                 
CONECT   25   24   26                                                 
CONECT   26   25                                                      
CONECT   27   18   28   31                                            
CONECT   28   27   29   34                                            
CONECT   29   28   30                                                 
CONECT   30   29   18                                                 
CONECT   31   27   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   28                                                 
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END

$$$$

$$$$
D09OMM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.072  -1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.072  -2.269   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.357  -2.681   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.357  -2.269   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.357  -1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.357  -1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.072  -2.681   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.786  -2.269   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.786  -1.444   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.072  -1.031   0.000  1.00  0.00           C  
HETATM   11  H   UNL     1       0.357  -0.619   0.000  1.00  0.00           H  
HETATM   12  C   UNL     1       1.072  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.501  -1.031   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.357  -0.206   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.786  -2.681   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.072   1.031   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.786  -0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.215  -0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.786  -1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.786   0.206   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.786   1.031   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       2.501   1.444   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       2.501   2.269   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.786   2.681   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.072   2.269   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.072   1.444   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       3.215   2.681   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       0.357   2.681   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   15                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10   11                                       
CONECT    6    5    1   14                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9    5   12                                            
CONECT   11    5                                                      
CONECT   12   10   22                                                 
CONECT   13    9                                                      
CONECT   14    6   16                                                 
CONECT   15    2                                                      
CONECT   16   14   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19                                                      
CONECT   21   18                                                      
CONECT   22   12   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   23                                                 
CONECT   29   25                                                      
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D09OQZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.857  -1.028   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.145  -0.617   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.433  -1.028   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.721  -0.617   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.721   0.205   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.433   0.617   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.145   0.205   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.009  -1.028   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.009  -1.850   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.703  -2.261   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.415  -1.850   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.415  -1.028   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.703  -0.617   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.127  -0.617   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.839  -1.028   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.551  -0.617   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.551   0.205   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.839   0.617   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.127   0.205   0.000  1.00  0.00           C  
HETATM   20  S   UNL     1       4.263  -1.028   0.000  1.00  0.00           S  
HETATM   21  O   UNL     1       3.852  -1.740   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       4.674  -0.316   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1       4.975  -1.439   0.000  1.00  0.00           N  
HETATM   24  S   UNL     1      -3.608  -0.693   0.000  1.00  0.00           S  
HETATM   25  C   UNL     1      -4.158  -1.304   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.747  -2.016   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.942  -1.845   0.000  1.00  0.00           C  
HETATM   28 CL   UNL     1      -4.975  -1.218   0.000  1.00  0.00          Cl  
HETATM   29  C   UNL     1      -1.433   1.439   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1      -0.610   1.439   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -1.433   2.261   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -2.255   1.439   0.000  1.00  0.00           F  
CONECT    1    2   24   27                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6   29    5    7                                            
CONECT    7    6    2                                                 
CONECT    8    4    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    8                                                 
CONECT   14   12   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   16   21   22   23                                       
CONECT   21   20                                                      
CONECT   22   20                                                      
CONECT   23   20                                                      
CONECT   24    1   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26    1                                                 
CONECT   28   25                                                      
CONECT   29   30   31   32    6                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D09PGP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.786   1.444   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.072   1.856   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.072   2.681   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.786   3.094   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.501   2.681   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.501   1.856   0.000  1.00  0.00           C  
HETATM   13 CL   UNL     1      -3.215   1.444   0.000  1.00  0.00          Cl  
HETATM   14  N   UNL     1      -0.357   3.094   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.357   2.681   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.357  -1.031   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       0.357  -0.619   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.072  -1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.072  -1.856   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.786  -2.269   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.501  -1.856   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.501  -1.031   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.786  -0.619   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.357   1.856   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.072   1.444   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.786   1.856   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.786   2.681   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.072   3.094   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       2.501   1.444   0.000  1.00  0.00           N  
HETATM   30  F   UNL     1       3.215  -0.619   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1       1.786  -3.094   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7   13                                            
CONECT   13   12                                                      
CONECT   14    9   15                                                 
CONECT   15   24   28   14                                            
CONECT   16    4   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   31                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   30                                            
CONECT   23   22   18                                                 
CONECT   24   15   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   15                                                 
CONECT   29   26                                                      
CONECT   30   22                                                      
CONECT   31   20                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D09PGW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.786   0.710   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.786  -0.115   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       2.501  -0.527   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       3.215  -0.115   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       3.215   0.710   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.501   1.123   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.072   1.123   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.357   0.710   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.357  -0.115   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.072  -0.527   0.000  1.00  0.00           C  
HETATM   11  F   UNL     1      -0.357   1.123   0.000  1.00  0.00           F  
HETATM   12  N   UNL     1       1.072   1.948   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1       2.501   1.948   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       3.930   1.123   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       3.930   1.948   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       4.644   0.710   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1       0.949  -1.343   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.510  -1.948   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.333  -1.886   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.797  -1.204   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.330  -1.834   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.960  -1.302   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.427  -0.672   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.357  -0.527   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.072  -0.115   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.786  -0.527   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.501  -0.115   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.215  -0.527   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.930  -0.115   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.644  -0.527   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.644  -1.352   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.930  -1.765   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.215  -1.352   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4   20                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   14                                            
CONECT    6    5    1   13                                            
CONECT    7    1    8   12                                            
CONECT    8    7    9   11                                            
CONECT    9    8   10   24                                            
CONECT   10    9    2   17                                            
CONECT   11    8                                                      
CONECT   12    7                                                      
CONECT   13    6                                                      
CONECT   14    5   15   16                                            
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17   10   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19    3   21   23                                       
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   20                                                 
CONECT   24    9   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D09PIS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.470   1.290   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.470   0.465   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.184   0.052   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.899   0.465   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.899   1.290   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       1.184   1.702   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.315   1.545   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.800   0.877   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.315   0.210   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.570  -0.575   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.377  -0.746   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.929  -0.133   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.736  -0.305   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.991  -1.089   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.439  -1.702   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.632  -1.531   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.288   0.308   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -4.095   0.137   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.350  -0.648   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.647   0.750   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.454   0.578   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.613   0.052   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.328   0.465   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.081   0.129   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       4.633   0.742   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1       4.221   1.457   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       3.414   1.285   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.454   0.656   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   22                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    2   10                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   13   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   21                                                 
CONECT   21   20                                                      
CONECT   22    4   23                                                 
CONECT   23   22   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   23                                                 
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END

$$$$

$$$$

$$$$
D09PMC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215   0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.786   0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.786   1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.501   1.444   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.215   1.031   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -2.501   2.269   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.072  -0.206   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.357   0.206   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.072  -1.031   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.357  -1.444   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.786  -1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.786  -2.269   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.357  -1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.072  -1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.786  -1.031   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.072   0.206   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.357  -0.206   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       2.501   0.206   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       3.215  -0.206   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1       3.930   0.206   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1       3.215  -1.031   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       3.930  -0.619   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   10                                            
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    6                                                 
CONECT   11    9                                                      
CONECT   12    7   13   14                                            
CONECT   13   12                                                      
CONECT   14   12   15   16                                            
CONECT   15   14   18                                                 
CONECT   16   14   17                                                 
CONECT   17   16                                                      
CONECT   18   15   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D09PQQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.379   0.140   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.379  -0.685   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.665  -1.097   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.950  -0.685   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.950   0.140   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.665   0.553   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.166  -0.940   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.681  -0.272   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.166   0.395   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.911   1.180   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.463   1.793   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1      -0.104   1.351   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.151   2.136   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.958   2.308   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.510   1.695   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.317   1.866   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       2.572   2.651   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.020   3.264   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.213   3.092   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.379   2.822   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       1.255   0.910   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       0.144  -0.272   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.911  -1.724   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.463  -2.337   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.104  -1.896   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.270  -2.166   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.822  -2.779   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.567  -3.563   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.760  -3.735   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.208  -3.122   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       1.037   3.521   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       0.240   3.735   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   23                                            
CONECT    8    7    9   22                                            
CONECT    9    8    5   10                                            
CONECT   10    9   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16   21                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14   31                                            
CONECT   20   17                                                      
CONECT   21   15                                                      
CONECT   22    8                                                      
CONECT   23    7   24   25                                            
CONECT   24   23   26   30                                            
CONECT   25   23                                                      
CONECT   26   24   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   24                                                 
CONECT   31   19   32                                                 
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D09PVH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.106  -0.128   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.608  -0.541   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.323  -0.128   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.037  -0.541   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.752  -0.128   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.752   0.697   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.037   1.109   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.323   0.697   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.466   1.109   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       3.466   1.934   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1       4.180   0.697   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1       4.895   1.109   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.193   0.692   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.000   0.864   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.412   0.149   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.860  -0.464   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.219  -0.022   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.474  -0.807   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.922  -1.420   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.115  -1.248   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.281  -0.978   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.833  -0.365   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.640  -0.537   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.895  -1.321   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.343  -1.934   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.536  -1.763   0.000  1.00  0.00           C  
CONECT    1    2   13   16                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7    9                                            
CONECT    7    6    8                                                 
CONECT    8    7    3                                                 
CONECT    9    6   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   12                                                 
CONECT   12   11                                                      
CONECT   13    1   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15    1   20                                            
CONECT   17   15   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   16                                                 
CONECT   21   18   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D09QCB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.209   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.209   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.505  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.220   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.220   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.505   1.444   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.924   1.444   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.638   1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.934  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.934  -1.031   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.649  -1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.363  -1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.363  -0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.649   0.206   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       1.934   0.619   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       4.078  -1.444   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       4.792  -1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.353   1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.067   1.031   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.067   0.206   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.353  -0.206   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.638   0.206   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.782  -0.206   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.579   0.007   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.792  -0.790   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.995  -1.003   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7   18   22                                            
CONECT    9    4   10   14   15                                       
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    9                                                      
CONECT   16   12   17                                                 
CONECT   17   16                                                      
CONECT   18    8   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21    8                                                 
CONECT   23   20   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   23                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D09QKG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930   1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501   1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215   1.650   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.786   0.000   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.072   0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.072   1.238   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.786   1.650   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.357   1.650   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.357   1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.357   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.072   0.000   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.786   0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.786   1.238   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.072   1.650   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.501   0.000   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.501  -0.825   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       3.215   0.412   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       3.215  -1.238   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.930  -0.825   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       4.644  -1.238   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.786   2.475   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.786  -0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.501  -1.238   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.501  -2.062   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.786  -2.475   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.072  -2.062   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.072  -1.238   0.000  1.00  0.00           C  
HETATM   31 CL   UNL     1      -4.644   0.000   0.000  1.00  0.00          Cl  
HETATM   32  C   UNL     1      -0.895  -0.103   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1      -1.609  -0.516   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1      -0.180  -0.516   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       0.534  -0.103   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   31                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   25                                            
CONECT    8    7    9   32                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5   24                                            
CONECT   11    9   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   19   20                                            
CONECT   19   18   21                                                 
CONECT   20   18                                                      
CONECT   21   19   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22                                                      
CONECT   24   10                                                      
CONECT   25    7   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31    2                                                      
CONECT   32    8   33   34                                            
CONECT   33   32                                                      
CONECT   34   32   35                                                 
CONECT   35   34                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D09QNH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.992   0.412   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.992  -0.412   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.278  -0.825   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.437  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.437   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.278   0.825   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.222  -0.667   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.706   0.000   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.222   0.667   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.476   1.452   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.278   1.650   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.706  -0.825   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.278  -1.650   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   12                                            
CONECT    3    2    4   13                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9                                                      
CONECT   11    6                                                      
CONECT   12    2                                                      
CONECT   13    3                                                      
MASTER        0    0    0    0    0    0    0    0   13    0   13    0
END
M  END

$$$$
D09QQS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  O   UNL     1      -2.167   0.540   0.000  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.751  -0.044   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.376  -0.779   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.561  -0.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.432   0.165   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.697   0.540   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.114  -0.044   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.706   0.049   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.145   0.747   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.872   1.526   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.094   1.798   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.605   1.359   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.091  -0.681   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.916  -0.681   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.355   0.049   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.969   0.747   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.679  -1.395   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.091  -2.109   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.916  -2.109   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.328  -1.395   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       1.456   2.109   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.566   0.085   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       3.153  -1.395   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       3.566  -2.109   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3   22                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    1    6                                            
CONECT    6    5    7   12                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10   16                                            
CONECT   10    9   11   21                                            
CONECT   11   10   12                                                 
CONECT   12   11    6                                                 
CONECT   13    8   14   17                                            
CONECT   14   13   15   20                                            
CONECT   15   14   16                                                 
CONECT   16   15    9                                                 
CONECT   17   13   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   14   23                                            
CONECT   21   10                                                      
CONECT   22    2                                                      
CONECT   23   20   24                                                 
CONECT   24   23                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D09QSH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.009   1.443   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.009   0.618   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.706   0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.420   0.618   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.420   1.443   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.706   1.856   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.706  -0.619   0.000  1.00  0.00           N  
HETATM    8  S   UNL     1       1.420  -1.032   0.000  1.00  0.00           S  
HETATM    9 CL   UNL     1       0.706   2.681   0.000  1.00  0.00          Cl  
HETATM   10  N   UNL     1      -0.723   1.856   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.438   1.443   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.192   1.779   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.744   1.166   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.331   0.451   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.524   0.623   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.564   1.252   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.363   2.586   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.833  -0.317   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       1.008  -1.746   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       2.134  -1.444   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.135  -2.269   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.850  -2.681   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.564  -2.269   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.564  -1.444   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.850  -1.032   0.000  1.00  0.00           C  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    9                                            
CONECT    7    3    8                                                 
CONECT    8    7   18   19   20                                       
CONECT    9    6                                                      
CONECT   10    1   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16   13                                                      
CONECT   17   12                                                      
CONECT   18    8                                                      
CONECT   19    8                                                      
CONECT   20    8   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D09QXC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429   1.422   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.429   0.597   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.715   0.185   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000   0.597   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.000   1.422   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.715   1.835   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.143   0.185   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.858   0.597   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.858   1.422   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.572   1.835   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.287   1.422   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.287   0.597   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.572   0.185   0.000  1.00  0.00           C  
HETATM   14 CL   UNL     1      -3.572  -0.640   0.000  1.00  0.00          Cl  
HETATM   15 CL   UNL     1      -2.186   1.878   0.000  1.00  0.00          Cl  
HETATM   16  C   UNL     1       0.715   0.185   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.429   0.597   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       0.715  -0.640   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.143   0.185   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.143  -0.640   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.858  -1.053   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.572  -0.640   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.572   0.185   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.858   0.597   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.287  -1.053   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.143  -0.640   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.429  -1.053   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.715  -0.640   0.000  1.00  0.00           N  
HETATM   29  H   UNL     1      -5.001   1.835   0.000  1.00  0.00           H  
HETATM   30  O   UNL     1      -1.429  -1.878   0.000  1.00  0.00           O  
HETATM   31  H   UNL     1       0.000  -1.053   0.000  1.00  0.00           H  
HETATM   32  F   UNL     1       5.001  -1.465   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       4.699  -0.338   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       3.874  -1.767   0.000  1.00  0.00           F  
CONECT    1    2    6   15                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8   26                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   29                                            
CONECT   12   11   13                                                 
CONECT   13   12    8   14                                            
CONECT   14   13                                                      
CONECT   15    1                                                      
CONECT   16    4   17   18                                            
CONECT   17   16   19                                                 
CONECT   18   16                                                      
CONECT   19   17   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22   32   33   34                                       
CONECT   26    7   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   31                                                 
CONECT   29   11                                                      
CONECT   30   27                                                      
CONECT   31   28                                                      
CONECT   32   25                                                      
CONECT   33   25                                                      
CONECT   34   25                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D09RDP
  -OEChem-09301911162D

 53 58  0     0  0  0  0  0  0999 V2000
    8.4873    3.8122    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9186   -0.6413    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3158   -0.4225    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1374   -2.0385    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2133    0.2430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2206    3.4838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3604    4.9871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0726   -2.3223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2611    2.7881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7969    1.0477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4834   -3.1303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4886    3.4905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2261    2.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5237    3.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3932    2.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4752    0.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4752   -0.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3852    1.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6091    1.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6091   -0.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3565    3.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7431   -0.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4911    2.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7431    0.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5931    2.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7969   -0.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4862   -1.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5346   -1.8196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5329   -2.8196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7266   -1.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7229   -3.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8100   -2.9977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8257   -4.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0156   -4.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1028   -4.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4100    4.1055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0633    1.9273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8243    2.3628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6865    4.3512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9254    3.9158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6872   -0.8396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0857   -0.1494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9185    0.9336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2106   -1.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0077   -1.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0526    2.5883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7588    3.7917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7463   -2.3810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3916   -4.6539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4340   -3.3309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0794   -5.6038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6006   -4.9424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 30  1  0  0  0  0
  3 30  1  0  0  0  0
  4 30  1  0  0  0  0
  5 10  1  0  0  0  0
  5 26  1  0  0  0  0
  6 21  1  0  0  0  0
  6 48  1  0  0  0  0
  7 21  2  0  0  0  0
  8 11  1  0  0  0  0
  8 27  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 24  2  0  0  0  0
 11 29  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 21  1  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 18  1  0  0  0  0
 15 23  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  2  0  0  0  0
 20 22  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 22 24  1  0  0  0  0
 22 26  2  0  0  0  0
 23 25  1  0  0  0  0
 25 47  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 49  1  0  0  0  0
 33 35  2  0  0  0  0
 33 50  1  0  0  0  0
 34 36  2  0  0  0  0
 34 51  1  0  0  0  0
 35 36  1  0  0  0  0
 35 52  1  0  0  0  0
 36 53  1  0  0  0  0
M  END

$$$$
D09REZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.479  -0.665   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.479  -1.490   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.765  -1.903   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.050  -1.490   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.050  -0.665   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.765  -0.253   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.336  -1.903   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.336  -2.728   0.000  1.00  0.00           O  
HETATM    9  N   UNL     1       0.379  -1.490   0.000  1.00  0.00           N  
HETATM   10 CL   UNL     1      -1.765  -2.728   0.000  1.00  0.00          Cl  
HETATM   11  C   UNL     1       1.093  -1.903   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.808  -1.490   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.808  -0.665   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.093  -0.253   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.379  -0.665   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.592  -1.745   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       3.077  -1.078   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       2.592  -0.410   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.204  -0.665   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.620  -1.249   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.445  -1.249   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.847   0.374   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       3.654   0.546   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       3.909   1.330   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.357   1.943   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.550   1.772   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       2.295   0.987   0.000  1.00  0.00           N  
HETATM   28  F   UNL     1       3.612   2.728   0.000  1.00  0.00           F  
HETATM   29  H   UNL     1      -0.336  -0.253   0.000  1.00  0.00           H  
HETATM   30  H   UNL     1       1.093  -2.728   0.000  1.00  0.00           H  
HETATM   31  C   UNL     1      -3.195  -1.903   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1      -2.782  -2.617   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -3.909  -2.316   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -3.607  -1.188   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   31                                            
CONECT    3    2    4   10                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7                                                      
CONECT    9    7   11   15                                            
CONECT   10    3                                                      
CONECT   11    9   12   21   30                                       
CONECT   12   11   13   16                                            
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14    9   19   29                                       
CONECT   16   12   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13   22                                            
CONECT   19   15   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   11                                                 
CONECT   22   18   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   25                                                      
CONECT   29   15                                                      
CONECT   30   11                                                      
CONECT   31    2   32   33   34                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D09RGE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.714  -0.412   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.714   0.412   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.000   0.825   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.714   0.412   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1       0.000   1.650   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.429   0.825   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.143   0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.858   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.858   1.650   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.143   2.062   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.429   1.650   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.572   0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.572  -0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       4.287  -0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       5.001  -0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       5.001   0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.287   0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.287  -1.650   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       5.001  -2.062   0.000  1.00  0.00           N  
HETATM   24  O   UNL     1       3.572  -2.062   0.000  1.00  0.00           O  
HETATM   25  H   UNL     1      -2.858   0.825   0.000  1.00  0.00           H  
HETATM   26  C   UNL     1      -2.858  -0.825   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.572  -0.412   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.572   0.412   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.287   0.825   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.001   0.412   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.001  -0.412   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.287  -0.825   0.000  1.00  0.00           C  
CONECT    1    2    6   25                                            
CONECT    2    1    3   26                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   12   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   18   23   24                                            
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25    1                                                      
CONECT   26    2   27                                                 
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D09RTV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.455  -0.551   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.027  -1.256   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.202  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.195  -0.515   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.234   0.191   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.058   0.173   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.004   0.981   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.674   1.451   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.330   0.952   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.280  -0.569   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.783   1.253   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.408   0.714   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1       0.937   2.063   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.768   0.096   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.551  -0.163   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.551  -0.988   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.768  -1.238   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.123   1.127   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.837   0.714   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.551   1.127   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.551   1.952   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.837   2.364   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.123   1.952   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.223  -1.952   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1      -0.492  -2.364   0.000  1.00  0.00           F  
HETATM   26  F   UNL     1      -0.190  -1.237   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1       0.937  -1.539   0.000  1.00  0.00           F  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   24                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1    9                                            
CONECT    7    5    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8    6                                                 
CONECT   10    1   14   17                                            
CONECT   11    7   12   13                                            
CONECT   12   11   18                                                 
CONECT   13   11                                                      
CONECT   14   10   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   10                                                 
CONECT   18   12   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24    3   25   26   27                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D09RTW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.528  -1.630   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.528  -2.455   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.814  -2.867   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.099  -2.455   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.099  -1.630   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.814  -1.217   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.814  -0.392   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.099   0.020   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.099   0.845   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.814   1.258   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.528   0.845   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.528   0.020   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.814   2.083   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.099   2.495   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.385   2.083   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.670   2.495   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.670   3.320   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.385   3.733   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.099   3.320   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.956   2.083   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.241   2.495   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.241   3.320   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.956   3.733   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.956   4.558   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.527   3.733   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.188   3.320   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.902   3.733   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.902   4.558   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.188   4.970   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.527   4.558   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       1.617   3.320   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       2.331   3.733   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.046   3.320   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       2.331   4.558   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       3.046   2.495   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.760   2.083   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.475   2.495   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       4.475   3.320   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       3.760   3.733   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.814  -3.692   0.000  1.00  0.00           C  
HETATM   41  O   UNL     1      -5.528  -4.105   0.000  1.00  0.00           O  
HETATM   42  C   UNL     1       5.187   3.733   0.000  1.00  0.00           C  
HETATM   43  F   UNL     1       4.774   4.447   0.000  1.00  0.00           F  
HETATM   44  F   UNL     1       5.901   4.145   0.000  1.00  0.00           F  
HETATM   45  F   UNL     1       5.599   3.018   0.000  1.00  0.00           F  
HETATM   46  C   UNL     1      -1.241   4.970   0.000  1.00  0.00           C  
HETATM   47  N   UNL     1      -4.664  -4.256   0.000  1.00  0.00           N  
HETATM   48  C   UNL     1      -3.426  -4.970   0.000  1.00  0.00           C  
HETATM   49  C   UNL     1      -4.251  -4.970   0.000  1.00  0.00           C  
HETATM   50  C   UNL     1      -5.901  -4.970   0.000  1.00  0.00           C  
HETATM   51  C   UNL     1      -5.489  -4.256   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   40                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18   23                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   16   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   17   24                                            
CONECT   24   23                                                      
CONECT   25   22   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25   46                                            
CONECT   31   27   32                                                 
CONECT   32   31   33   34                                            
CONECT   33   32   35   39                                            
CONECT   34   32                                                      
CONECT   35   33   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39   42                                            
CONECT   39   38   33                                                 
CONECT   40    3   41   47                                            
CONECT   41   40                                                      
CONECT   42   38   43   44   45                                       
CONECT   43   42                                                      
CONECT   44   42                                                      
CONECT   45   42                                                      
CONECT   46   30                                                      
CONECT   47   40   49   51                                            
CONECT   48   49                                                      
CONECT   49   47   48                                                 
CONECT   50   51                                                      
CONECT   51   47   50                                                 
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
M  END

$$$$
D09RUN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.846  -1.414   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.846  -2.239   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.132  -2.652   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.417  -2.239   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.417  -1.414   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.132  -1.002   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.703  -2.652   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.012  -2.239   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.726  -2.652   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.441  -2.239   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.441  -1.414   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.726  -1.002   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.012  -1.414   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       2.155  -1.002   0.000  1.00  0.00           N  
HETATM   15  N   UNL     1      -2.132  -0.177   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       2.869  -1.414   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.584  -1.002   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       3.584  -0.177   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.869   0.236   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.155  -0.177   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.464   0.308   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.719   1.093   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.544   1.093   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.799   0.308   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.029   1.760   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.584   0.053   0.000  1.00  0.00           O  
HETATM   27  N   UNL     1      -3.514   2.428   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -2.170   1.828   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.478   2.277   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.213   2.652   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   15                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   16   20                                            
CONECT   15    6   21   24                                            
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   14                                                 
CONECT   21   15   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25   28                                       
CONECT   24   23   15   26                                            
CONECT   25   23   27                                                 
CONECT   26   24                                                      
CONECT   27   25                                                      
CONECT   28   23   29   30                                            
CONECT   29   28   30                                                 
CONECT   30   29   28                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END

$$$$

$$$$
D09RWM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.113  -0.950   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.113  -1.775   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.398  -2.188   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.316  -1.775   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.316  -0.950   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.398  -0.538   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       1.030  -2.188   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.745  -1.775   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.745  -0.950   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.030  -0.538   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.827  -2.188   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.570   0.269   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.390   0.355   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -1.726  -0.398   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.018   0.882   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.697   1.295   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.525   2.102   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.295   2.188   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1      -0.631   1.434   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.438   1.263   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1       1.450   0.959   0.000  1.00  0.00          Cl  
HETATM   22  O   UNL     1       1.030   0.287   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.827   0.501   0.000  1.00  0.00           C  
CONECT    1    2    6   14                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   12                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   22                                            
CONECT   11    2                                                      
CONECT   12    6   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    1                                                 
CONECT   15   12   16   19                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   15   20                                            
CONECT   20   19                                                      
CONECT   21   16                                                      
CONECT   22   10   23                                                 
CONECT   23   22                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D09SDN
  -OEChem-09301911282D

 62 65  0     1  0  0  0  0  0999 V2000
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    9.9282   -0.9690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0680   -2.4724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -3.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -3.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -0.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -1.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -0.9757    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3321   -2.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0564    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4144    0.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -3.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9205    1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5531    1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5597   -0.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0641   -1.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5427    0.5247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5311    1.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2631    1.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3913    2.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3797    3.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3107   -0.4954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5124   -0.4862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5124   -3.5136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3107   -3.5043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7909   -0.8954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3891   -1.5851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3891   -2.4146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7909   -3.1044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.3799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.6199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7319   -0.6636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8841   -3.5598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7319   -3.3361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5082   -2.4883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2326    0.4952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4562    1.3430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6084    1.5667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0888    1.7038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2410    1.9274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0173    1.0796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0240   -0.6485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8718   -0.8722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0955   -0.0244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0094    0.2085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8151    0.2409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9906    1.8284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7964    1.8608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4663   -1.2770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9997    3.0417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3726    3.6545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7598    3.0274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 19  1  0  0  0  0
  2 25  1  0  0  0  0
  2 59  1  0  0  0  0
  3 25  2  0  0  0  0
  4 13  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  2  0  0  0  0
  6  8  1  0  0  0  0
  6 15  2  0  0  0  0
  7  9  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 10  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 40  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 20  1  0  0  0  0
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 25  1  0  0  0  0
 17 42  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 26  2  0  0  0  0
 20 27  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
 24 54  1  0  0  0  0
 26 28  1  0  0  0  0
 26 55  1  0  0  0  0
 27 29  2  0  0  0  0
 27 56  1  0  0  0  0
 28 30  2  0  0  0  0
 28 57  1  0  0  0  0
 29 30  1  0  0  0  0
 29 58  1  0  0  0  0
 30 31  1  0  0  0  0
 31 60  1  0  0  0  0
 31 61  1  0  0  0  0
 31 62  1  0  0  0  0
M  END

$$$$
D09SKG
  -OEChem-09301911212D

 62 64  0     1  0  0  0  0  0999 V2000
    2.8660   -1.4855    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0429    2.3851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -2.3515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -0.6194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8549    1.1837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1808    0.8509    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2672    1.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -0.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0762   -0.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5788    2.3718    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.7788    1.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6728    2.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    2.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5788    1.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6728    0.8163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    2.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4429    2.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    2.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3109    2.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1750    2.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9070    2.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7750    2.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1483    1.4701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5772    1.7946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7656    1.6221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5317   -0.6037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2897   -0.9412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1410   -0.7602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962   -0.1436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.5971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.0931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1164    2.0628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9838    1.7901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2653    0.9921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0664    3.3646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2682    3.3554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.2309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7879    0.7464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1897    1.4362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2682    0.3465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0664    0.3373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5098    2.6609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8396    3.3516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0426    3.3485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    3.4709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9142    1.9020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7112    1.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5717    3.3582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7746    3.3552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0560   -2.8884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3037    3.3649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5066    3.3618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4670    1.8536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3131    2.0838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0829    2.9299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  2 14  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 56  1  0  0  0  0
  5 57  1  0  0  0  0
  8  7  1  1  0  0  0
  7 39  1  0  0  0  0
  7 40  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  1  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 18  2  0  0  0  0
 13 22  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 17  1  0  0  0  0
 15 20  1  0  0  0  0
 15 23  1  0  0  0  0
 15 38  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 21  1  0  0  0  0
 17 19  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 24  2  0  0  0  0
 22 48  1  0  0  0  0
 23 25  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 26  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 26 54  1  0  0  0  0
 26 55  1  0  0  0  0
 27 28  1  0  0  0  0
 27 58  1  0  0  0  0
 27 59  1  0  0  0  0
 28 60  1  0  0  0  0
 28 61  1  0  0  0  0
 28 62  1  0  0  0  0
M  END

$$$$
D09SMA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.970   1.218   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.970   0.393   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.684  -0.019   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.399   0.393   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.399   1.218   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.684   1.631   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       3.183   0.138   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       3.668   0.806   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       3.183   1.473   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1       0.255  -0.019   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.459   0.393   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.174  -0.019   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.459   1.218   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1      -1.927   0.316   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.479  -0.297   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.067  -1.011   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.260  -0.840   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.304  -0.297   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.717  -1.011   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.304  -1.726   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.479  -1.726   0.000  1.00  0.00           C  
HETATM   22  F   UNL     1      -3.717  -2.440   0.000  1.00  0.00           F  
HETATM   23  C   UNL     1      -2.099   1.123   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.884   1.378   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.055   2.185   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.840   2.440   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.453   1.888   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -4.281   1.081   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.497   0.826   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.453   1.061   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.453   1.886   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.668   2.141   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   30                                            
CONECT    9    8    5   32                                            
CONECT   10    2   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11   14   17                                            
CONECT   13   11                                                      
CONECT   14   12   15   23                                            
CONECT   15   14   16   18                                            
CONECT   16   15   17   21                                            
CONECT   17   16   12                                                 
CONECT   18   15   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   16                                                 
CONECT   22   20                                                      
CONECT   23   14   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30    8   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31    9                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D09SSG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.968   1.389   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.182   0.592   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.598   0.009   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.802   0.223   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.588   1.019   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.171   1.603   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -3.552   1.973   0.000  1.00  0.00          Cl  
HETATM    8  S   UNL     1      -1.218  -0.361   0.000  1.00  0.00           S  
HETATM    9  N   UNL     1      -0.421  -0.147   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -1.802  -0.944   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1      -0.806  -1.075   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.162  -0.731   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.421   0.678   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.162   1.261   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.877   0.849   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.591   1.261   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.591   2.086   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.877   2.499   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.162   2.086   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1      -0.552   2.499   0.000  1.00  0.00           F  
HETATM   21  C   UNL     1       2.305   2.499   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.102   2.285   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1       3.552   2.977   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       3.032   3.618   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.262   3.322   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       0.959  -0.517   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       1.673  -0.930   0.000  1.00  0.00           N  
HETATM   28  O   UNL     1       1.172   0.280   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       0.162  -1.556   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.877  -1.968   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.877  -2.793   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1       0.162  -3.206   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       0.877  -3.618   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       1.591  -3.206   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    4    9   10   11                                       
CONECT    9    8   12   13                                            
CONECT   10    8                                                      
CONECT   11    8                                                      
CONECT   12    9   26   29                                            
CONECT   13    9   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   14   20                                            
CONECT   20   19                                                      
CONECT   21   17   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
CONECT   26   12   27   28                                            
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   12   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   33   34                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D09STY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.061   1.005   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.061   0.180   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.776  -0.232   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.490   0.180   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.490   1.005   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.776   1.418   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.653   1.418   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.367   1.005   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.049   1.470   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.837   1.227   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.139   0.459   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.726  -0.256   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.911  -0.379   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.306   0.182   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.205  -0.232   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.205  -1.057   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.919  -1.470   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.634  -1.057   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.634  -0.232   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.919   0.180   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       2.205   0.593   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       4.348  -1.470   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       5.063  -1.057   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.936   0.245   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.650   0.658   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.063  -0.057   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.348  -0.469   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   15                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9   14                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   24                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    8                                                 
CONECT   15    4   16   20   21                                       
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   15                                                      
CONECT   22   18   23                                                 
CONECT   23   22                                                      
CONECT   24   11   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   24                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D09SWE
  -OEChem-04152110532D

 18 18  0     0  0  0  0  0  0999 V2000
    2.8660   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 10  1  0  0  0  0
  2  9  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
M  END

$$$$
D09SWG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.256  -0.686   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.042   0.111   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.782   0.154   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.077  -0.617   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.436  -1.136   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.436  -1.961   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.151  -2.373   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.151  -3.198   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.436  -3.611   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.278  -3.198   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.278  -2.373   0.000  1.00  0.00           N  
HETATM   12  S   UNL     1      -1.365   0.737   0.000  1.00  0.00           S  
HETATM   13  C   UNL     1      -2.162   0.524   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.745   1.107   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.542   0.893   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.756   0.096   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.172  -0.487   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.376  -0.273   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -4.553  -0.117   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1       0.625   0.694   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.422   0.480   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.006   1.064   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.792   1.861   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.995   2.074   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.412   1.491   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.803   0.850   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.386   1.434   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       3.172   2.230   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       2.376   2.444   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.756   2.814   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.553   2.600   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       3.542   3.611   0.000  1.00  0.00           O  
CONECT    1    2    5                                                 
CONECT    2    1    3   20                                            
CONECT    3    2    4   12                                            
CONECT    4    3    5                                                 
CONECT    5    4    1    6                                            
CONECT    6    5    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    6                                                 
CONECT   12    3   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16                                                      
CONECT   20    2   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24   29                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   22   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28   23                                                 
CONECT   30   28   31   32                                            
CONECT   31   30                                                      
CONECT   32   30                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D09SYD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.261   1.989   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.261   1.164   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.524   0.909   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.009   1.576   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.524   2.244   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.975   2.401   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.690   1.989   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.690   1.164   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.975   0.751   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -2.404   0.751   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.158   1.087   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.710   0.474   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.297  -0.241   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.490  -0.069   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.877  -0.621   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.290  -1.336   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.877  -2.050   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.052  -2.050   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.640  -1.336   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.052  -0.621   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.779   0.124   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       1.586  -0.047   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       2.138   0.566   0.000  1.00  0.00           O  
HETATM   24  N   UNL     1       1.841  -0.832   0.000  1.00  0.00           N  
HETATM   25  F   UNL     1       0.185  -1.336   0.000  1.00  0.00           F  
HETATM   26  O   UNL     1      -3.115  -1.336   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.527  -2.050   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.289  -1.445   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.544  -2.230   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.351  -2.401   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.903  -1.788   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.648  -1.004   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       3.710  -1.960   0.000  1.00  0.00           O  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   21                                            
CONECT    4    3    5                                                 
CONECT    5    4    1                                                 
CONECT    6    1    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10   15                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17   26                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   25                                            
CONECT   20   19   15                                                 
CONECT   21    3   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22                                                      
CONECT   24   22   28   32                                            
CONECT   25   19                                                      
CONECT   26   16   27                                                 
CONECT   27   26                                                      
CONECT   28   24   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   33                                            
CONECT   32   31   24                                                 
CONECT   33   31                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D09SYX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.301   0.659   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.301  -0.166   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.587  -0.578   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.872  -0.166   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.872   0.659   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.587   1.072   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.158  -0.578   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.443  -0.166   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.443   0.659   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.158   1.072   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.158   1.897   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.158  -1.403   0.000  1.00  0.00           O  
HETATM   13  S   UNL     1       0.341  -0.421   0.000  1.00  0.00           S  
HETATM   14  C   UNL     1       0.826   0.247   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.341   0.914   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.651   0.247   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.064   0.961   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.064  -0.468   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.587  -1.403   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       1.651  -1.182   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.064  -1.897   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.889  -1.897   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.301  -1.182   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.889  -0.468   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   19                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10   15                                            
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    7                                                      
CONECT   13    8   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14    9                                                 
CONECT   16   14   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   20   24                                            
CONECT   19    3                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D09TKO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  F   UNL     1       0.460   3.895   0.000  1.00  0.00           F  
HETATM    2  C   UNL     1       0.227   3.103   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.575   2.909   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.808   2.118   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.240   1.520   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.562   1.714   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.795   2.506   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.531   0.769   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.332   0.473   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.330  -0.331   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.510  -0.593   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.031   0.075   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.996   0.742   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.587   0.449   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.587  -0.294   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.948  -0.603   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1      -1.998   1.670   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.242  -1.459   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.592   2.719   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       2.176   2.136   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.748  -2.110   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.285  -2.793   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       0.507  -2.563   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       0.534  -1.739   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.159  -3.070   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.873  -2.657   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.587  -3.070   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       1.159  -3.895   0.000  1.00  0.00           O  
CONECT    1    2                                                      
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    7                                                 
CONECT    7    6    2   19                                            
CONECT    8    5    9   12                                            
CONECT    9    8   10   13                                            
CONECT   10    9   11   16                                            
CONECT   11   10   12   18                                            
CONECT   12   11    8                                                 
CONECT   13    9   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   10                                                 
CONECT   17   13                                                      
CONECT   18   11   21   24                                            
CONECT   19    7   20                                                 
CONECT   20   19                                                      
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   18                                                 
CONECT   25   23   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26                                                      
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D09TSM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.247  -0.204   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.422  -0.204   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.009   0.511   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.422   1.225   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.247   1.225   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.659   0.511   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.870  -0.817   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.116  -0.481   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.202   0.339   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.784  -1.637   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.977  -1.809   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.564  -1.094   0.000  1.00  0.00           C  
HETATM   13  F   UNL     1      -1.839   1.809   0.000  1.00  0.00           F  
HETATM   14  C   UNL     1      -0.488   0.752   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.227   0.339   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.941   0.752   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       0.227  -0.486   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.353   0.037   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.152   0.246   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.945   0.037   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.532   0.752   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.734   0.543   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.933   1.502   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.532   1.438   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.786   1.737   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.106   1.119   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       3.659   0.450   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5   13                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8   10                                            
CONECT    8    7    9   12                                            
CONECT    9    8    3   14                                            
CONECT   10    7   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    8                                                 
CONECT   13    4                                                      
CONECT   14    9   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   18   22   23                                       
CONECT   17   15                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20   26                                            
CONECT   20   19   21   27                                            
CONECT   21   20   22   24                                            
CONECT   22   21   16                                                 
CONECT   23   16   25                                                 
CONECT   24   21   25                                                 
CONECT   25   23   24   26                                            
CONECT   26   25   19                                                 
CONECT   27   20                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D09UBE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.099  -0.323   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.056  -1.146   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.747  -1.596   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.704  -2.420   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.969  -2.794   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.277  -2.345   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.320  -1.521   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.480  -2.558   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.031  -1.866   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.550  -1.225   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.407   0.127   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.834   0.052   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.635  -0.166   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.119   0.478   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.571   1.168   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.367   0.951   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.677   0.694   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.717   1.518   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.054   1.811   0.000  1.00  0.00           C  
HETATM   20  H   UNL     1       0.333  -0.213   0.000  1.00  0.00           H  
HETATM   21  H   UNL     1      -1.023   1.858   0.000  1.00  0.00           H  
HETATM   22  C   UNL     1       1.407   1.970   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.144   1.599   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       2.834   2.051   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1       1.361   2.794   0.000  1.00  0.00           O  
CONECT    1    2   11   12                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7    8                                            
CONECT    7    6    2   10                                            
CONECT    8    6    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    7                                                 
CONECT   11    1   13   16                                            
CONECT   12    1                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15   17   20                                       
CONECT   15   14   16   19   21                                       
CONECT   16   15   11                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   15                                                 
CONECT   20   14                                                      
CONECT   21   15                                                      
CONECT   22   18   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23                                                      
CONECT   25   22                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D09UGQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.133   0.287   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -6.133  -0.538   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -5.419  -0.950   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.705  -0.538   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.705   0.287   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.419   0.700   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.990   0.700   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.276   0.287   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.561   0.700   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.561   1.525   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.276   1.937   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.990   1.525   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.776   0.445   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.292   1.112   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.776   1.780   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.467   1.112   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.054   0.398   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1      -0.054   1.827   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       0.771   0.398   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.183  -0.317   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.008  -0.317   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.421  -1.031   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.246  -1.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.658  -0.317   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.246   0.398   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.421   0.398   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.483  -0.317   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.896  -1.031   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.721  -1.031   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       6.133  -0.317   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.721   0.398   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.896   0.398   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       6.133  -1.746   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1       5.721  -2.460   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.896  -2.460   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1       6.133  -3.175   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1      -3.276   2.762   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.990   3.175   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.705   2.762   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.705   1.937   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11   15                                            
CONECT   11   10   12   37                                            
CONECT   12   11    7   40                                            
CONECT   13    9   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   10                                                 
CONECT   16   14   17   18                                            
CONECT   17   16   19                                                 
CONECT   18   16                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   24   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30   33                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   29   34                                                 
CONECT   34   33   35   36                                            
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   11   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   12                                                 
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D09UJB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.531   1.209   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.531   0.384   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.817  -0.028   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.102   0.384   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.102   1.209   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.817   1.622   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.457  -0.130   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.653   0.054   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.295   0.797   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.653   1.540   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.457   1.724   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.671  -0.927   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.468  -1.140   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.681  -1.937   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.098  -2.521   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.301  -2.307   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.087  -1.510   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.070   2.124   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.671   2.521   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.470   0.797   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.244   1.209   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.959   0.797   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.673   1.209   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.388   0.797   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.388  -0.028   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.102  -0.441   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.817  -0.028   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.817   0.797   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.102   1.209   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1       4.531   1.209   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1       4.531  -0.441   0.000  1.00  0.00           F  
HETATM   32  O   UNL     1       0.244   2.034   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       0.959  -0.028   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       0.244  -0.441   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       0.244  -1.266   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       0.959  -1.678   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       1.673  -1.266   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       1.673  -0.441   0.000  1.00  0.00           C  
HETATM   39  F   UNL     1       0.959  -2.503   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   20                                            
CONECT   10    9   11   18                                            
CONECT   11   10    5   19                                            
CONECT   12    7   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   10                                                      
CONECT   19   11                                                      
CONECT   20    9   21                                                 
CONECT   21   20   22   32                                            
CONECT   22   21   23   33                                            
CONECT   23   22   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29   30                                            
CONECT   29   28   24                                                 
CONECT   30   28                                                      
CONECT   31   27                                                      
CONECT   32   21                                                      
CONECT   33   22   34   38                                            
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37   39                                            
CONECT   37   36   38                                                 
CONECT   38   37   33                                                 
CONECT   39   36                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D09UNF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.472  -0.973   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.472  -1.798   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.757  -2.210   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.043  -1.798   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.043  -0.973   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.757  -0.560   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.258  -2.053   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.227  -1.385   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.258  -0.718   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.003   0.067   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.822   0.067   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.234   0.781   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.059   0.781   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       2.472   1.496   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       2.059   2.210   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.234   2.210   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.822   1.496   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.488   0.735   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.337   0.735   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9   11   18                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   10   19                                                 
CONECT   19   18                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D09UVF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.600   1.036   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.289   1.800   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.019   1.035   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.674   0.533   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.363  -0.231   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.055   0.534   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.470   0.750   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.682   0.996   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.718   0.245   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.543   0.245   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.368   0.245   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.780  -0.470   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       3.605  -0.470   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.018   0.245   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.605   0.959   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.780   0.959   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.257  -0.050   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.054   0.164   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.637  -0.420   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.268   0.960   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1      -3.434  -0.206   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.018  -0.790   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.804  -1.587   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.007  -1.800   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.424  -1.217   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7   17                                       
CONECT    5    4    6                                                 
CONECT    6    5    1    8    9                                       
CONECT    7    4    8                                                 
CONECT    8    7    6                                                 
CONECT    9    6   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    4   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   21   25                                            
CONECT   20   18                                                      
CONECT   21   19   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   19                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D09VAX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.984   3.223   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.984   2.398   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.400   1.815   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.425   1.815   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       1.008   2.398   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.008   3.223   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.425   3.807   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.400   3.807   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.799   1.080   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.614   1.209   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.743   2.024   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.716   1.053   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.425   0.345   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.399   0.302   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1       0.874  -0.347   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       0.500  -1.082   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.949  -1.774   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.574  -2.509   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.024  -3.201   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.848  -3.158   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.222  -2.423   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.773  -1.731   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       3.046  -2.380   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       3.495  -3.072   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.319  -3.028   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.769  -3.720   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       3.121  -3.807   0.000  1.00  0.00           O  
HETATM   28  N   UNL     1      -1.746   2.083   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.543   2.296   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.340   2.083   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.543   3.121   0.000  1.00  0.00           O  
HETATM   32  N   UNL     1      -4.054   2.495   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1      -4.769   2.083   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.340   1.258   0.000  1.00  0.00           C  
CONECT    1    2    8                                                 
CONECT    2    1    3   28                                            
CONECT    3    2    4   12                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6   11                                            
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    1                                                 
CONECT    9    4   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10    5                                                 
CONECT   12    3                                                      
CONECT   13    9   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   17                                                 
CONECT   23   21   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25                                                      
CONECT   27   24                                                      
CONECT   28    2   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29   32   34                                            
CONECT   31   29                                                      
CONECT   32   30   33                                                 
CONECT   33   32                                                      
CONECT   34   30                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D09VDQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.270   0.271   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.270  -0.551   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.558  -0.962   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.846  -0.551   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.846   0.271   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.558   0.682   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.982  -0.962   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.134  -0.962   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -3.558  -1.784   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.982   0.682   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -5.068   1.500   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1      -5.872   1.671   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -6.283   0.959   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.733   0.348   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.457   2.050   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.675   1.796   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.064   2.346   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.235   3.150   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.017   3.404   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.628   2.854   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.624   3.700   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.013   4.250   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.270  -2.195   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.270  -3.017   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.558  -3.428   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.846  -3.017   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.846  -2.195   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.982  -3.428   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1      -4.982  -4.250   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -5.694  -3.839   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -5.694  -3.017   0.000  1.00  0.00           F  
HETATM   32  C   UNL     1      -2.134   0.682   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1      -1.422   0.271   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1      -0.710   0.682   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       0.002   0.271   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1      -2.134   1.504   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1       4.270   0.271   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       4.270  -0.551   0.000  1.00  0.00           C  
HETATM   39  N   UNL     1       3.558  -0.962   0.000  1.00  0.00           N  
HETATM   40  C   UNL     1       2.846  -0.551   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       2.846   0.271   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       3.558   0.682   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       4.982  -0.962   0.000  1.00  0.00           C  
HETATM   44  O   UNL     1       2.134  -0.962   0.000  1.00  0.00           O  
HETATM   45  C   UNL     1       3.558  -1.784   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1       4.982   0.682   0.000  1.00  0.00           C  
HETATM   47  N   UNL     1       5.068   1.500   0.000  1.00  0.00           N  
HETATM   48  N   UNL     1       5.872   1.671   0.000  1.00  0.00           N  
HETATM   49  C   UNL     1       6.283   0.959   0.000  1.00  0.00           C  
HETATM   50  C   UNL     1       5.733   0.348   0.000  1.00  0.00           C  
HETATM   51  C   UNL     1       4.457   2.050   0.000  1.00  0.00           C  
HETATM   52  C   UNL     1       3.675   1.796   0.000  1.00  0.00           C  
HETATM   53  C   UNL     1       3.064   2.346   0.000  1.00  0.00           C  
HETATM   54  C   UNL     1       3.235   3.150   0.000  1.00  0.00           C  
HETATM   55  C   UNL     1       4.017   3.404   0.000  1.00  0.00           C  
HETATM   56  C   UNL     1       4.628   2.854   0.000  1.00  0.00           C  
HETATM   57  C   UNL     1       2.624   3.700   0.000  1.00  0.00           C  
HETATM   58  N   UNL     1       2.013   4.250   0.000  1.00  0.00           N  
HETATM   59  C   UNL     1       4.270  -2.195   0.000  1.00  0.00           C  
HETATM   60  C   UNL     1       4.270  -3.017   0.000  1.00  0.00           C  
HETATM   61  C   UNL     1       3.558  -3.428   0.000  1.00  0.00           C  
HETATM   62  C   UNL     1       2.846  -3.017   0.000  1.00  0.00           C  
HETATM   63  C   UNL     1       2.846  -2.195   0.000  1.00  0.00           C  
HETATM   64  C   UNL     1       4.982  -3.428   0.000  1.00  0.00           C  
HETATM   65  F   UNL     1       4.982  -4.250   0.000  1.00  0.00           F  
HETATM   66  F   UNL     1       5.694  -3.839   0.000  1.00  0.00           F  
HETATM   67  F   UNL     1       5.694  -3.017   0.000  1.00  0.00           F  
HETATM   68  C   UNL     1       2.134   0.682   0.000  1.00  0.00           C  
HETATM   69  N   UNL     1       1.422   0.271   0.000  1.00  0.00           N  
HETATM   70  C   UNL     1       0.710   0.682   0.000  1.00  0.00           C  
HETATM   71  O   UNL     1       2.134   1.504   0.000  1.00  0.00           O  
HETATM   72  O   UNL     1       0.002  -0.554   0.000  1.00  0.00           O  
CONECT    1    2    6   10                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6   32                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    4                                                      
CONECT    9    3   23   27                                            
CONECT   10    1   11   14                                            
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22                                                 
CONECT   22   21                                                      
CONECT   23    9   24                                                 
CONECT   24   23   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26    9                                                 
CONECT   28   24   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
CONECT   32    5   33   36                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   70   72                                            
CONECT   36   32                                                      
CONECT   37   38   42   46                                            
CONECT   38   37   39   43                                            
CONECT   39   38   40   45                                            
CONECT   40   39   41   44                                            
CONECT   41   40   42   68                                            
CONECT   42   41   37                                                 
CONECT   43   38                                                      
CONECT   44   40                                                      
CONECT   45   39   59   63                                            
CONECT   46   37   47   50                                            
CONECT   47   46   48   51                                            
CONECT   48   47   49                                                 
CONECT   49   48   50                                                 
CONECT   50   49   46                                                 
CONECT   51   47   52   56                                            
CONECT   52   51   53                                                 
CONECT   53   52   54                                                 
CONECT   54   53   55   57                                            
CONECT   55   54   56                                                 
CONECT   56   55   51                                                 
CONECT   57   54   58                                                 
CONECT   58   57                                                      
CONECT   59   45   60                                                 
CONECT   60   59   61   64                                            
CONECT   61   60   62                                                 
CONECT   62   61   63                                                 
CONECT   63   62   45                                                 
CONECT   64   60   65   66   67                                       
CONECT   65   64                                                      
CONECT   66   64                                                      
CONECT   67   64                                                      
CONECT   68   41   69   71                                            
CONECT   69   68   70                                                 
CONECT   70   69   35                                                 
CONECT   71   68                                                      
CONECT   72   35                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
M  END

$$$$
D09VEY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.071   1.323   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.071   0.498   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.357   0.085   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.642   0.498   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.642   1.323   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.357   1.735   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -6.786   0.085   0.000  1.00  0.00          Cl  
HETATM    8  O   UNL     1      -3.928   1.735   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -3.213   1.323   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.213   0.498   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.499   0.085   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.784   0.498   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.784   1.323   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.499   1.735   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.070   1.735   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.355   1.323   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.355   0.498   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.360   0.085   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.074   0.498   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.074   1.323   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.360   1.735   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.288  -0.299   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.085  -0.085   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.871   0.711   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.799  -0.498   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       3.513  -0.085   0.000  1.00  0.00           N  
HETATM   27  O   UNL     1       2.799  -1.323   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       4.642  -0.498   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.642  -1.323   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       5.357  -1.735   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       6.071  -1.323   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       6.071  -0.498   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       5.357  -0.085   0.000  1.00  0.00           C  
HETATM   34 CL   UNL     1       6.786  -0.085   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13    9                                                 
CONECT   15   13   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22   24                                       
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   19   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   19                                                 
CONECT   25   23   26   27                                            
CONECT   26   25   28                                                 
CONECT   27   25                                                      
CONECT   28   26   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   34                                            
CONECT   33   32   28                                                 
CONECT   34   32                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D09VFP
  -OEChem-09301911172D

 58 60  0     1  0  0  0  0  0999 V2000
    5.4071   -0.4115    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6763    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3614   -3.2466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5762   -6.0918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939   -6.7963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3450   -3.5602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1639   -5.2828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2791   -3.0851    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.1804   -4.9692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    6.1763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    6.1763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7791   -3.9511    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1100   -4.6943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1964   -4.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3010   -3.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6859   -2.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7736   -4.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1749   -5.0737    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0981   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7627   -4.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891   -0.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5816   -5.9873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7572   -4.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1168   -3.4312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -5.2312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6116   -5.0587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5900   -4.1586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0049   -4.8772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2362   -2.6764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6810   -3.2930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1999   -2.5183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1166   -1.7256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8160   -5.4708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8105   -5.5753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7336   -1.8641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9336   -3.6687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2054   -3.9929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1994   -0.2199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8283   -6.6582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9616   -3.6250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.8663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    4.4863    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.4863    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    6.7963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    5.8663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    6.7963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 25  1  0  0  0  0
  2 30  1  0  0  0  0
  3 19  2  0  0  0  0
  4 26  1  0  0  0  0
  4 51  1  0  0  0  0
  5 26  2  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 27  1  0  0  0  0
  7 52  1  0  0  0  0
  8 27  2  0  0  0  0
  9 28  2  0  0  0  0
 10 14  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 21 11  1  1  0  0  0
 11 45  1  0  0  0  0
 12 35  1  0  0  0  0
 12 56  1  0  0  0  0
 12 57  1  0  0  0  0
 13 35  2  0  0  0  0
 13 58  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  1  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 20  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 26  1  0  0  0  0
 21 46  1  0  0  0  0
 22 24  1  0  0  0  0
 22 47  1  0  0  0  0
 23 27  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 25  2  0  0  0  0
 24 50  1  0  0  0  0
 25 28  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 33  1  0  0  0  0
 31 34  2  0  0  0  0
 31 53  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 33 54  1  0  0  0  0
 34 55  1  0  0  0  0
M  END

$$$$
D09VIE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.286   0.357   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.286  -0.468   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.571  -0.880   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.857  -0.468   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.857   0.357   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.571   0.770   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.142  -0.880   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.428  -0.468   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.428   0.357   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.142   0.770   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.142   1.595   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.713   0.770   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.001   0.357   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.716   0.770   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.716   1.595   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.001   2.007   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.713   1.595   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.430   0.357   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.430  -0.468   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.145  -0.880   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.145  -1.705   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.859  -2.118   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.574  -1.705   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.574  -0.880   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.859  -0.468   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.571   1.595   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.283   2.006   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -5.000  -0.880   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -5.000  -1.702   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       1.430   2.007   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       1.430   2.830   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.288  -2.118   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1       3.877  -2.830   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       5.000  -2.529   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1       4.699  -1.406   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2   28    1    3                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6   26    5    1                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    9   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   30   14   16                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   14   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   32   22   24                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   27    6                                                 
CONECT   27   26                                                      
CONECT   28   29    2                                                 
CONECT   29   28                                                      
CONECT   30   31   15                                                 
CONECT   31   30                                                      
CONECT   32   33   34   35   23                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D09VNK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.919   1.072   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.506   0.357   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.681   0.357   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.269   1.072   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.681   1.786   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.506   1.786   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.444   1.072   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.619   1.072   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.206   1.072   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.619   0.357   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.444   0.357   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.856   1.072   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.444   1.786   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.619   1.786   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.856  -0.357   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.681  -0.357   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.094   0.357   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.681   1.072   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.919  -0.357   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.331  -1.072   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       3.094  -1.072   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       2.681  -1.786   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1       3.919  -1.072   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       4.331  -1.786   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.331  -0.357   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   19                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13   18                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   12                                                 
CONECT   19    2   20                                                 
CONECT   20   19                                                      
CONECT   21   16   22   23                                            
CONECT   22   21                                                      
CONECT   23   21   24   25                                            
CONECT   24   23                                                      
CONECT   25   23                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D09VOD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.841  -0.468   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.841  -1.293   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.127  -1.705   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.412  -1.293   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.412  -0.468   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.127  -0.055   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.302  -1.705   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.016  -1.293   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.016  -0.468   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.302  -0.055   0.000  1.00  0.00           C  
HETATM   11 CL   UNL     1      -2.556  -0.055   0.000  1.00  0.00          Cl  
HETATM   12  C   UNL     1       1.731  -0.055   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       2.445  -0.468   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1       1.731   0.770   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.731  -1.705   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.143  -2.420   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.556  -1.705   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.302   0.770   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.016   1.182   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.016   2.007   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.302   2.420   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.412   2.007   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.412   1.182   0.000  1.00  0.00           C  
CONECT    1    2    6   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   15                                            
CONECT    9    8   10   12                                            
CONECT   10    9    5   18                                            
CONECT   11    1                                                      
CONECT   12    9   13   14                                            
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15    8   16   17                                            
CONECT   16   15   17                                                 
CONECT   17   16   15                                                 
CONECT   18   10   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D09VRO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.858  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.858   0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429   0.412   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.429  -1.238   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.715  -0.825   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       0.000  -1.238   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1      -0.715   0.000   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.715  -0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.429  -1.238   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.143  -0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.143   0.000   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.715   0.000   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.858   0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.572   0.000   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.572   0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.858   1.238   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    4    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   12                                                 
CONECT   11    9                                                      
CONECT   12   10   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   19   20   21                                       
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   18                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D09VXA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.644   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.644   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.930   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.215   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.215   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.930   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.501   0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.501  -0.412   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.786  -0.825   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.072  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.072   0.412   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.786   0.825   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.357  -0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.357  -0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.357   0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.357   0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.215  -0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.930  -0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.644  -0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.644  -1.650   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.930  -2.062   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.215  -1.650   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       1.072   0.825   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.786   0.413   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.501   0.825   0.000  1.00  0.00           N  
HETATM   26  O   UNL     1       1.786  -0.412   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       3.215   0.413   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.215  -0.412   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.930  -0.825   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.644  -0.412   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.644   0.413   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.930   0.825   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9   17                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12   16                                            
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   23                                            
CONECT   16   15   11                                                 
CONECT   17    8   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   15   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   27                                                 
CONECT   26   24                                                      
CONECT   27   25   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END

$$$$

$$$$

$$$$
D09WFK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.072  -0.412   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.357  -0.825   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.357  -0.412   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1      -1.072   0.412   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1       1.072  -0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.786  -0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.786   0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.072   0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.357   0.412   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.501   0.825   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       2.501   1.650   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.501  -0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.587  -1.645   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.394  -1.817   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.806  -1.103   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       3.254  -0.489   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       3.468   0.307   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.501  -0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.215  -0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.215  -1.650   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.501  -2.062   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.786  -1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.215   2.062   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       3.930   1.650   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.930  -0.412   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -4.644   0.000   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -3.517   0.302   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -4.342  -1.127   0.000  1.00  0.00           F  
HETATM   30  C   UNL     1       4.644   2.062   0.000  1.00  0.00           C  
CONECT    1    2   19   23                                            
CONECT    2    1    3    5                                            
CONECT    3    2    4                                                 
CONECT    4    3    6   10                                            
CONECT    5    2                                                      
CONECT    6    4    7                                                 
CONECT    7    6    8   13                                            
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    8   12                                                 
CONECT   12   11   24                                                 
CONECT   13    7   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   13   18                                            
CONECT   18   17                                                      
CONECT   19    1   20                                                 
CONECT   20   19   21   26                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22    1                                                 
CONECT   24   12   25                                                 
CONECT   25   24   30                                                 
CONECT   26   20   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30   25                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D09WKF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.072  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.072  -1.031   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.786  -1.444   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       2.501  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.501  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.786   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.215   0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.930  -0.206   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       4.644   0.206   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       4.644   1.031   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       3.930   1.444   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       3.215   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.357   0.206   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.357  -0.206   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       0.357   1.031   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.072   1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.786   1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.501   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.786  -0.206   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.215   1.444   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.930   1.031   0.000  1.00  0.00           C  
HETATM   24 CL   UNL     1      -4.644   1.444   0.000  1.00  0.00          Cl  
HETATM   25  F   UNL     1      -4.513   0.448   0.000  1.00  0.00           F  
HETATM   26  F   UNL     1      -3.517   0.317   0.000  1.00  0.00           F  
HETATM   27 CL   UNL     1       3.215  -1.444   0.000  1.00  0.00          Cl  
CONECT    1    2    6   13                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   27                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    1   14   15                                            
CONECT   14   13   16                                                 
CONECT   15   13                                                      
CONECT   16   14   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   19   23                                                 
CONECT   23   22   24   25   26                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23                                                      
CONECT   27    4                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D09WPA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.802  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.802  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.088  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.373  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.373  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.088   0.206   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.088   1.031   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1      -3.517  -1.444   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.659  -1.444   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.056  -1.031   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.770  -1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.485  -1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.199  -1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.913  -1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.071  -2.158   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.246  -2.158   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.517   0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.517   1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.231   1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.946   1.031   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.946   0.206   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.231  -0.206   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.231   2.269   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.231  -1.044   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.628  -1.444   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.056  -1.044   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.815  -1.628   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       5.056  -2.269   0.000  1.00  0.00           O  
HETATM   29  N   UNL     1       4.342  -1.856   0.000  1.00  0.00           N1+
HETATM   30  O   UNL     1       4.342  -1.031   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       3.627  -2.269   0.000  1.00  0.00           O1-
CONECT    1    2    6   17                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    2   24                                                 
CONECT    9    4   10   15   16                                       
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   25                                                 
CONECT   15    9                                                      
CONECT   16    9                                                      
CONECT   17   18   22    1                                            
CONECT   18   17   19                                                 
CONECT   19   20   23   18                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17   24                                            
CONECT   23   19                                                      
CONECT   24    8   22   26   27                                       
CONECT   25   14   28                                                 
CONECT   26   24                                                      
CONECT   27   24                                                      
CONECT   28   25   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29                                                      
CONECT   31   29                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D09WTI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930  -2.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930  -3.031   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.215  -3.443   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.501  -3.031   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.501  -2.206   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.215  -1.794   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.786  -3.443   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.072  -3.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.357  -3.443   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.357  -3.031   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.357  -2.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.357  -1.794   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.072  -2.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.215  -0.969   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.501  -0.556   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.501   0.269   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.215   0.681   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.930   0.269   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.930  -0.556   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.072  -1.794   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.786  -2.206   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.501  -1.794   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.215   1.506   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.548   1.991   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.803   2.776   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.628   2.776   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.883   1.991   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1      -2.318   3.443   0.000  1.00  0.00           F  
HETATM   29  N   UNL     1       3.215  -2.206   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       3.930  -1.794   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.215  -3.031   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.786   0.683   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1      -0.962   0.683   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   14                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   20                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    6   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   32                                            
CONECT   17   16   18   23                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   11   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   29                                                 
CONECT   23   17   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   23                                                 
CONECT   28   25                                                      
CONECT   29   22   30   31                                            
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   16   33                                                 
CONECT   33   32                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D09WUA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.280  -0.205   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.280  -1.030   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.566  -1.442   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.148  -1.030   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.148  -0.205   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.566   0.208   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.863   0.208   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.577  -0.205   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.292   0.208   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.292   1.033   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.577   1.445   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.863   1.033   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       3.076  -0.047   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       3.561   0.620   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.076   1.288   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.331  -0.832   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.779  -1.445   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       4.138  -1.004   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.995  -1.442   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.709  -1.030   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.709  -0.205   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.424   0.208   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.138  -0.205   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.138  -1.030   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.424  -1.442   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   19                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    9   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19    2   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D09WUW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.786  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.501   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.072  -1.031   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.357  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.357  -1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.072  -0.619   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.786  -1.031   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.501  -0.619   0.000  1.00  0.00           C  
HETATM   13  B   UNL     1       3.215  -1.031   0.000  1.00  0.00           B  
HETATM   14  O   UNL     1       3.930  -0.619   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1      -3.930   0.619   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.644   0.206   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.072  -1.856   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       0.357  -1.856   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.072  -2.269   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       1.072   0.206   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.501   0.206   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       3.215  -1.856   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       3.215   0.619   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.930   0.206   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.644   0.619   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.644   1.444   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.930   1.856   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.215   1.444   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.930   2.681   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1       3.930   3.506   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1       3.215   3.094   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       4.644   3.094   0.000  1.00  0.00           F  
HETATM   33  C   UNL     1       1.072  -3.094   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.786  -3.506   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.501  -3.094   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.501  -2.269   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       1.786  -1.856   0.000  1.00  0.00           C  
CONECT    1    2    6   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   17                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   18                                            
CONECT   10    9   11   20                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   21                                            
CONECT   13   12   14   22                                            
CONECT   14   13                                                      
CONECT   15    1   16                                                 
CONECT   16   15                                                      
CONECT   17    7                                                      
CONECT   18    9   19                                                 
CONECT   19   18   33   37                                            
CONECT   20   10                                                      
CONECT   21   12   23                                                 
CONECT   22   13                                                      
CONECT   23   21   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   23                                                 
CONECT   29   27   30   31   32                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
CONECT   33   19   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   19                                                 
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D09WXH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.997   1.115   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.997   0.293   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.285  -0.118   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.573   0.293   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.573   1.115   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.285   1.526   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.070  -0.220   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.871  -0.037   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.228   0.704   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.871   1.445   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.070   1.628   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.709   1.526   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       1.384   2.087   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.384  -0.679   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.083  -1.445   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.596  -2.087   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.409  -1.965   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.709  -1.200   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.197  -0.557   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   14                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10    5                                                 
CONECT   12    1                                                      
CONECT   13   10                                                      
CONECT   14    8   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D09XLY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.236   0.084   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.411   0.080   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.001   0.794   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.826   0.794   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.081   1.579   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.413   2.064   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.254   1.579   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.238   0.080   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.063   0.080   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.476  -0.635   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.476   0.794   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.643   0.802   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.468   0.802   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.886   0.084   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.468  -0.634   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.643  -0.634   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.796   1.008   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.063  -1.349   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.476  -2.064   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.301  -2.064   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.714  -1.349   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.301  -0.635   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       1.238  -1.349   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1       0.754  -0.682   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.031  -0.937   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.031  -1.762   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       0.754  -2.017   0.000  1.00  0.00           N  
HETATM   28 CL   UNL     1       4.539  -1.349   0.000  1.00  0.00          Cl  
HETATM   29  C   UNL     1      -3.714   0.084   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1      -3.714  -0.741   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -4.539   0.084   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -3.714   0.909   0.000  1.00  0.00           F  
CONECT    1    2   12   16                                            
CONECT    2    1    3                                                 
CONECT    3    4    7    2   17                                       
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    3                                                 
CONECT    8    9    4                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   18   22                                            
CONECT   11    9                                                      
CONECT   12    1   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   29                                            
CONECT   15   14   16                                                 
CONECT   16   15    1                                                 
CONECT   17    3                                                      
CONECT   18   10   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   28                                            
CONECT   22   21   10                                                 
CONECT   23   18   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   23                                                 
CONECT   28   21                                                      
CONECT   29   14   30   31   32                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D09XUI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.166   1.167   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.166   0.342   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.451  -0.070   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.737   0.342   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.737   1.167   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.451   1.580   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.022  -0.070   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.936  -0.891   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.129  -1.062   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.283  -0.348   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.269   0.265   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.549  -1.443   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.334  -1.188   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.947  -1.740   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.775  -2.547   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.991  -2.802   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.378  -2.250   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.097   1.072   0.000  1.00  0.00           O  
HETATM   19  N   UNL     1       1.104  -0.262   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.516  -0.976   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.104  -1.690   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.341  -0.976   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.730  -1.773   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.754  -1.690   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       3.579  -1.690   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       3.991  -0.976   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       3.579  -0.262   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.754  -0.262   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.991  -2.405   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1       3.277  -2.817   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1       3.579  -1.690   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       4.706  -1.992   0.000  1.00  0.00           F  
HETATM   33  O   UNL     1      -3.881   2.817   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1      -3.881   1.992   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1      -3.056   1.992   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1      -3.881   1.167   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -4.706   1.992   0.000  1.00  0.00           F  
CONECT    1    2    6   33                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    8   11    4                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   19                                            
CONECT   11   10    7   18                                            
CONECT   12   13   17    8                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   11                                                      
CONECT   19   10   20                                                 
CONECT   20   19   21   22   23                                       
CONECT   21   20                                                      
CONECT   22   20   24   28                                            
CONECT   23   20                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   22                                                 
CONECT   29   25   30   31   32                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
CONECT   33    1   34                                                 
CONECT   34   33   35   36   37                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D09XUJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.544   1.903   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.544   1.078   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.829   0.665   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.115   1.078   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.115   1.903   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.829   2.316   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.330   0.823   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.845   1.490   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.330   2.158   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.020   1.490   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.392   0.776   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.217   0.776   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.630   1.490   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.217   2.205   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.392   2.205   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.075   0.038   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.627  -0.575   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.373  -1.359   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.566  -1.531   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.013  -0.918   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1      -0.268  -0.133   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1      -0.311  -2.316   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       0.783  -1.131   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.367  -0.548   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.164  -0.761   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.747  -0.178   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       3.544  -0.392   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1       2.534   0.619   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   16                                            
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    7   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21   23                                            
CONECT   21   20   16                                                 
CONECT   22   19                                                      
CONECT   23   20   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26                                                      
CONECT   28   26                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D09XWR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.248  -0.744   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.248  -1.569   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.533  -1.982   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.819  -1.569   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.819  -0.744   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.533  -0.332   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.962  -0.332   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -5.677  -0.744   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.962  -1.982   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -5.677  -1.569   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.104  -0.332   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.390  -0.744   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.675  -0.332   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.675   0.493   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.390   0.906   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.104   0.493   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.039   0.906   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.753   0.493   0.000  1.00  0.00           C  
HETATM   19  S   UNL     1       0.840  -0.327   0.000  1.00  0.00           S  
HETATM   20  C   UNL     1       1.647  -0.499   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.059   0.216   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       1.507   0.829   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.679   1.636   0.000  1.00  0.00           O  
HETATM   24  S   UNL     1       1.982  -1.252   0.000  1.00  0.00           S  
HETATM   25  C   UNL     1       2.880   0.302   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.215   1.056   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.036   1.142   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.521   0.474   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.341   0.561   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.677   1.314   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.192   1.982   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.371   1.895   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.365  -0.365   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       4.182  -0.280   0.000  1.00  0.00           O  
HETATM   35  O   UNL     1       3.030  -1.117   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7                                                      
CONECT    9    2   10                                                 
CONECT   10    9                                                      
CONECT   11    5   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22   25                                            
CONECT   22   21   18   23                                            
CONECT   23   22                                                      
CONECT   24   20                                                      
CONECT   25   33   21   26                                            
CONECT   26   25   27                                                 
CONECT   27   28   32   26                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   34   35   25                                            
CONECT   34   33                                                      
CONECT   35   33                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D09YEH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.899   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.899  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.184  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.470  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.470   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.184   0.825   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -4.184   1.650   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.470   2.062   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.755   1.650   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.041   2.062   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.041   2.888   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.755   3.300   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.470   2.888   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -1.326   1.650   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.240   0.830   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.433   0.658   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.021   1.373   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.573   1.986   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.792   0.216   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.537  -0.568   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.730  -0.740   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.178  -0.127   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.184  -1.650   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       0.629  -0.298   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       0.884  -1.083   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.691  -1.254   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       2.243  -0.641   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       1.988   0.144   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.181   0.315   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.050  -0.812   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       3.602  -0.199   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       3.305  -1.597   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.102  -1.811   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       4.899  -2.024   0.000  1.00  0.00           N  
HETATM   35  O   UNL     1      -4.899  -2.062   0.000  1.00  0.00           O  
HETATM   36  N   UNL     1      -3.470  -2.062   0.000  1.00  0.00           N  
HETATM   37  C   UNL     1      -3.470  -2.888   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.755  -3.300   0.000  1.00  0.00           C  
HETATM   39  N   UNL     1      -2.041  -2.888   0.000  1.00  0.00           N  
HETATM   40  C   UNL     1      -2.041  -2.062   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.755  -1.650   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1      -1.326  -3.300   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1      -0.612  -2.888   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   23                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15   18                                            
CONECT   15   14   16   19                                            
CONECT   16   15   17   22                                            
CONECT   17   16   18                                                 
CONECT   18   17   14                                                 
CONECT   19   15   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   16   24                                            
CONECT   23    3   35   36                                            
CONECT   24   22   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27   31   32                                            
CONECT   31   30                                                      
CONECT   32   30   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33                                                      
CONECT   35   23                                                      
CONECT   36   23   37   41                                            
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40   42                                            
CONECT   40   39   41                                                 
CONECT   41   40   36                                                 
CONECT   42   39   43                                                 
CONECT   43   42                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
M  END

$$$$
D09YFD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.565   0.410   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.565  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.853  -0.823   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.141  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.141   0.410   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.853   0.821   0.000  1.00  0.00           C  
HETATM    7 SE   UNL     1       0.573   0.823   0.000  1.00  0.00          Se  
HETATM    8 CL   UNL     1       1.565   0.412   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7                                                      
MASTER        0    0    0    0    0    0    0    0    8    0    8    0
END
M  END

$$$$
D09YFJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.712   1.912   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.712   1.090   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.000   0.679   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.712   1.090   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.712   1.912   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.000   2.323   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.424   0.679   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.136   1.090   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.136   1.912   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.424   2.323   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.848   2.323   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       3.560   1.912   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1       2.848   3.145   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.424   0.679   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.136   1.090   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.848   0.679   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.848  -0.143   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.136  -0.554   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.424  -0.143   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.560  -0.554   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.136  -1.403   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.901  -1.703   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.866  -2.410   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.035  -2.658   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.399  -2.287   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.399  -1.721   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.290  -3.145   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.823  -3.022   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.470  -2.926   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.560  -2.138   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   14                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14    2   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19   21                                            
CONECT   19   18   14                                                 
CONECT   20   17                                                      
CONECT   21   18   22   26   30                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   21                                                 
CONECT   27   23   29                                                 
CONECT   28   25   29                                                 
CONECT   29   27   28   30                                            
CONECT   30   21   29                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D09YHB
  -OEChem-09301911232D

 74 78  0     1  0  0  0  0  0999 V2000
    8.5836    0.0302    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    5.1651    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.7260   -5.6651    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3600   -6.0311    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.3600   -4.2990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619    0.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -0.0311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6340    4.6651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660    5.6651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3959   -2.1651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    1.7010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1279   -5.1651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9939   -3.6651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    2.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3959   -0.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5298   -0.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -0.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5298   -1.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -1.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5298    0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619    1.3349    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5298    1.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3959    1.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3959   -3.1651    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5836    1.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1279    1.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    0.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5298   -3.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -3.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    0.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -4.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1279   -3.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9939   -4.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    1.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600   -5.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    3.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    4.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    4.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    6.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    6.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3178   -0.0825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9192   -0.7727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8725   -0.7727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4739   -0.0825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9192   -1.5574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3178   -2.2477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4739   -2.2477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8725   -1.5574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7988    1.0249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7944    2.3099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9973    2.3099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8589   -2.8551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3910    2.2290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4379    1.2980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6648    2.1449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8179    2.3719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2198   -3.1281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9929   -3.9751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8398   -4.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7249   -4.9751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1279   -2.5451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8100    2.2379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9174    1.4889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6077    1.0904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1200    3.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100    4.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8800    3.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5826    6.2431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8923    6.6417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    6.6511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    6.0311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    5.4111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 27  1  0  0  0  0
  2  8  2  0  0  0  0
  2  9  2  0  0  0  0
  2 38  1  0  0  0  0
  2 41  1  0  0  0  0
  3 35  1  0  0  0  0
  4 35  1  0  0  0  0
  5 35  1  0  0  0  0
  6 15  1  0  0  0  0
  6 21  1  0  0  0  0
  7 30  2  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 24  1  0  0  0  0
 11 30  1  0  0  0  0
 11 34  1  0  0  0  0
 11 64  1  0  0  0  0
 12 31  2  0  0  0  0
 12 33  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  2  0  0  0  0
 14 36  2  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 20  1  0  0  0  0
 16 18  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 19  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 26  1  1  0  0  0
 21 51  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  0  0  0  0
 24 54  1  0  0  0  0
 25 27  2  0  0  0  0
 25 55  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
 26 58  1  0  0  0  0
 27 30  1  0  0  0  0
 28 59  1  0  0  0  0
 28 60  1  0  0  0  0
 28 61  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  2  0  0  0  0
 31 62  1  0  0  0  0
 32 63  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 65  1  0  0  0  0
 34 66  1  0  0  0  0
 36 37  1  0  0  0  0
 37 39  2  0  0  0  0
 37 67  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 39 68  1  0  0  0  0
 40 69  1  0  0  0  0
 41 42  1  0  0  0  0
 41 70  1  0  0  0  0
 41 71  1  0  0  0  0
 42 72  1  0  0  0  0
 42 73  1  0  0  0  0
 42 74  1  0  0  0  0
M  END

$$$$
D09YKI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858   1.522   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858   0.697   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143   0.284   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429   0.697   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429   1.522   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143   1.935   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.715   1.935   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.715   2.760   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1      -2.143   2.760   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1      -3.572   0.284   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1       0.000   1.522   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.715   1.935   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.429   1.522   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.429   0.697   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.143   0.284   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.858   0.697   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.858   1.522   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.143   1.935   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       2.143   2.760   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1       3.572   0.284   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.143  -0.540   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.858  -0.953   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.858  -1.778   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.143  -2.191   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.429  -1.778   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.429  -0.953   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.425  -2.760   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.592  -2.537   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.970  -2.716   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.592  -1.425   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4   21                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1    9                                            
CONECT    7    5    8   11                                            
CONECT    8    7                                                      
CONECT    9    6                                                      
CONECT   10    2                                                      
CONECT   11    7   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   13   19                                            
CONECT   19   18                                                      
CONECT   20   16                                                      
CONECT   21    3   22   26   30                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   21                                                 
CONECT   27   23   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   25   28                                                 
CONECT   30   28   21                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D09ZAJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.134   0.107   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.134  -0.718   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.419  -1.130   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.705  -0.718   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.705   0.107   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.419   0.520   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       0.080  -0.973   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.565  -0.305   0.000  1.00  0.00           N  
HETATM    9  S   UNL     1       0.080   0.362   0.000  1.00  0.00           S  
HETATM   10  O   UNL     1       0.335  -1.757   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.390  -0.305   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.802  -1.020   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       2.627  -1.020   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       3.040  -1.734   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.865  -1.734   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.277  -1.020   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.865  -0.305   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.040  -0.305   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.848   0.520   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.848   1.345   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.563   1.757   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.277   1.345   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.277   0.520   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.563   0.107   0.000  1.00  0.00           C  
CONECT    1    2    6   19                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9   11                                            
CONECT    9    8    5                                                 
CONECT   10    7                                                      
CONECT   11    8   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19    1   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D09ZCV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  F   UNL     1       1.428  -4.123   0.000  1.00  0.00           F  
HETATM    2  C   UNL     1       0.714   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143  -2.887   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429  -3.300   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.715  -2.887   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.715  -2.062   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.429  -1.650   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.429  -0.825   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.143  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.715  -0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.000  -0.825   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.715   0.412   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1       0.715  -0.412   0.000  1.00  0.00           N  
HETATM   16  S   UNL     1       1.429  -0.825   0.000  1.00  0.00           S  
HETATM   17  O   UNL     1      -2.858  -3.300   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.429  -4.125   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.143  -4.537   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.715  -4.537   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.429   1.650   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.143   2.062   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.858   1.650   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.858   0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.143   2.887   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.429   3.300   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.429   4.125   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.143   4.537   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.858   4.125   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.858   3.300   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.429  -1.650   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       2.012  -0.242   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1       2.226  -1.038   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       1.428   0.826   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.143   0.414   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       2.857   0.826   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       2.857   1.651   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       2.143   2.062   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       1.428   1.651   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       0.714  -2.062   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       0.714  -2.888   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       1.429  -3.300   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       2.143  -2.888   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1       2.143  -2.062   0.000  1.00  0.00           C  
HETATM   46  F   UNL     1      -0.000  -1.650   0.000  1.00  0.00           F  
HETATM   47  F   UNL     1      -0.000  -3.300   0.000  1.00  0.00           F  
HETATM   48  F   UNL     1       2.858  -1.650   0.000  1.00  0.00           F  
HETATM   49  F   UNL     1       2.858  -3.300   0.000  1.00  0.00           F  
HETATM   50  C   UNL     1       0.712   2.064   0.000  1.00  0.00           C  
HETATM   51  F   UNL     1       1.421   3.292   0.000  1.00  0.00           F  
HETATM   52  F   UNL     1       1.940   1.355   0.000  1.00  0.00           F  
HETATM   53  F   UNL     1       0.003   0.836   0.000  1.00  0.00           F  
CONECT    1   43                                                      
CONECT    2   15   35                                                 
CONECT    3    4    8                                                 
CONECT    4    3    5   17                                            
CONECT    5    4    6   18                                            
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    3    9                                            
CONECT    9    8   10   12                                            
CONECT   10    9   11                                                 
CONECT   11   10   21   25                                            
CONECT   12    9   13   14                                            
CONECT   13   12   15                                                 
CONECT   14   12                                                      
CONECT   15   13   16    2                                            
CONECT   16   15   32   33   34                                       
CONECT   17    4                                                      
CONECT   18    5   19   20                                            
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   11   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   11                                                 
CONECT   26   23   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   16   41   45                                            
CONECT   33   16                                                      
CONECT   34   16                                                      
CONECT   35    2   36   40                                            
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   35   50                                            
CONECT   41   32   42   46                                            
CONECT   42   41   43   47                                            
CONECT   43   42   44    1                                            
CONECT   44   43   45   49                                            
CONECT   45   44   32   48                                            
CONECT   46   41                                                      
CONECT   47   42                                                      
CONECT   48   45                                                      
CONECT   49   44                                                      
CONECT   50   51   52   53   40                                       
CONECT   51   50                                                      
CONECT   52   50                                                      
CONECT   53   50                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
M  END

$$$$
D09ZFM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.072  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.072  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.786  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.501  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.501  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.786   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.215   0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.930  -0.206   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       4.644   0.206   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       4.644   1.031   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       3.930   1.444   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       3.215   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.357   0.206   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.357  -0.206   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       0.357   1.031   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.072   1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.786   1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.501   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.786  -0.206   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.215   1.444   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.930   1.031   0.000  1.00  0.00           C  
HETATM   24  F   UNL     1      -4.644   1.444   0.000  1.00  0.00           F  
HETATM   25  F   UNL     1      -4.513   0.448   0.000  1.00  0.00           F  
HETATM   26  F   UNL     1      -3.517   0.317   0.000  1.00  0.00           F  
HETATM   27  C   UNL     1       3.215  -1.444   0.000  1.00  0.00           C  
CONECT    1    2    6   13                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   27                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    1   14   15                                            
CONECT   14   13   16                                                 
CONECT   15   13                                                      
CONECT   16   14   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   19   23                                                 
CONECT   23   22   24   25   26                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23                                                      
CONECT   27    4                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D09ZWU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.581   0.339   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.866  -0.074   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.152   0.339   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.437  -0.074   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.277   0.339   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.992  -0.074   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.277   1.164   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.437  -0.899   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.794   1.135   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.618   1.179   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.914   0.408   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1      -3.273  -0.111   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.273  -0.936   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.987  -1.348   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.987  -2.173   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.273  -2.586   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.558  -2.173   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.558  -1.348   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -1.844  -2.586   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1       0.992  -0.899   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.706  -1.311   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.420  -0.899   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.420  -0.074   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.706   0.339   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1       3.135   0.339   0.000  1.00  0.00           F  
HETATM   26  N   UNL     1       3.135  -1.311   0.000  1.00  0.00           N  
HETATM   27  S   UNL     1       3.960  -1.311   0.000  1.00  0.00           S  
HETATM   28  O   UNL     1       3.960  -0.486   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       4.785  -1.311   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       3.960  -2.136   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.070   1.871   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1      -4.785   1.459   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -4.483   2.586   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -3.356   2.284   0.000  1.00  0.00           F  
CONECT    1    2    9   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5   20   24                                            
CONECT    7    5                                                      
CONECT    8    4                                                      
CONECT    9    1   10                                                 
CONECT   10    9   11   31                                            
CONECT   11   10   12                                                 
CONECT   12   11    1   13                                            
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   13                                                 
CONECT   19   17                                                      
CONECT   20    6   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24   25                                            
CONECT   24   23    6                                                 
CONECT   25   23                                                      
CONECT   26   22   27                                                 
CONECT   27   26   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
CONECT   31   10   32   33   34                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0A0BS
  -OEChem-09301911112D

 37 40  0     0  0  0  0  0  0999 V2000
    7.1270   -0.8119    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -2.0017    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2106    0.8589    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2106    0.8589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.0071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2106   -0.8732    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4376    1.7481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1270    0.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7106   -0.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7106   -0.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -1.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2106   -0.8732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -0.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7106   -0.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7106   -1.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7106   -0.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7106   -1.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2106   -0.8732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.6129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118    0.8029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9006   -1.4101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0236    2.2096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0443    1.8760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402    0.0060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4006    0.5298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4006   -2.2761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -1.2787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478   -2.7760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0206   -2.2761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8306   -0.8732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 16  1  0  0  0  0
  2 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4 15  2  0  0  0  0
  5 10  1  0  0  0  0
  5 13  2  0  0  0  0
  6 15  1  0  0  0  0
  6 17  1  0  0  0  0
  6 28  1  0  0  0  0
  7  9  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  2  0  0  0  0
 11 15  1  0  0  0  0
 12 14  2  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 27  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 31  1  0  0  0  0
 19 23  1  0  0  0  0
 19 32  1  0  0  0  0
 20 24  2  0  0  0  0
 20 33  1  0  0  0  0
 21 22  2  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
 24 36  1  0  0  0  0
 25 37  1  0  0  0  0
M  END

$$$$
D0A0DV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.648  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.648  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.933  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.219  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.219  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.933   0.206   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -4.362  -1.444   0.000  1.00  0.00           F  
HETATM    8  C   UNL     1      -1.504   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.790  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.075   0.206   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.639  -0.206   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.353   0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.068  -0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.783   0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.639  -1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.353  -1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.353  -2.269   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.497  -0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.211   0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.211   1.031   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.497   1.444   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.783   1.031   0.000  1.00  0.00           C  
HETATM   23  I   UNL     1       3.497   2.269   0.000  1.00  0.00           I  
HETATM   24  N   UNL     1       4.362   0.883   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1       3.537   0.883   0.000  1.00  0.00           N1+
HETATM   26  N   UNL     1       2.712   0.883   0.000  1.00  0.00           N1-
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   18   22                                            
CONECT   15   11   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16                                                      
CONECT   18   14   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22   23                                            
CONECT   22   21   14                                                 
CONECT   23   21                                                      
CONECT   24   20   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0A0ND
  -OEChem-09301911202D

 68 73  0     1  0  0  0  0  0999 V2000
   11.4410   -0.2600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.9376   -1.1279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9443    0.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2247    0.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    0.4585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5730   -0.7566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4173    1.2308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8929    0.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0908    0.9827    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9568    0.4827    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0908    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2588    0.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9659   -0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8228    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9568    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8228    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9568   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7168    0.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7089   -0.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6228    0.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7420   -0.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4538    0.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7168    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6228    2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8228   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8228   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6888   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6888   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5549   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3089    0.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5549   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2209   -0.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3962    1.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8870    0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0908    0.3627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4937    0.1727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8787    2.5653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4802    1.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4193    1.3404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6600    0.9020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8055   -1.0821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5648   -0.6437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4011   -0.0640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8395   -0.8233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3553    2.9576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5583    2.9576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3462   -0.4097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7447   -1.0999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7096   -0.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6256   -0.8677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1425   -0.6666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9002   -1.1079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0533    0.8718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2957    1.3131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7096    3.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1586    2.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5706   -1.3766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2859   -2.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6888    0.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6888   -3.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0918   -0.7073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0918   -2.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3475   -0.7805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6506    2.0004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8198   -0.1577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5033    0.3914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9542    1.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  6  1  0  0  0  0
  1 31  1  0  0  0  0
  9  4  1  1  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 20  1  0  0  0  0
  6 58  1  0  0  0  0
  7 31  1  0  0  0  0
  7 34  2  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 36  1  0  0  0  0
 10 14  1  0  0  0  0
 10 18  1  1  0  0  0
 10 37  1  0  0  0  0
 11 16  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 15  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 15  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 17  2  0  0  0  0
 14 19  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 17  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 24  1  0  0  0  0
 18 26  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 21  2  0  0  0  0
 19 50  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 51  1  0  0  0  0
 21 25  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
 24 25  2  0  0  0  0
 24 56  1  0  0  0  0
 25 57  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 59  1  0  0  0  0
 28 30  2  0  0  0  0
 28 60  1  0  0  0  0
 29 32  2  0  0  0  0
 29 61  1  0  0  0  0
 30 32  1  0  0  0  0
 30 62  1  0  0  0  0
 31 33  2  0  0  0  0
 32 63  1  0  0  0  0
 33 64  1  0  0  0  0
 34 65  1  0  0  0  0
 35 66  1  0  0  0  0
 35 67  1  0  0  0  0
 35 68  1  0  0  0  0
M  END

$$$$
D0A0RM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.266  -1.292   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.409  -0.818   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.336   0.004   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.412   0.351   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.087  -0.123   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.014  -0.945   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.689  -1.419   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.437  -1.071   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.011   0.478   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       1.792   0.211   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       2.287   0.870   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.813   1.545   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.025   1.303   0.000  1.00  0.00           C  
HETATM   14  S   UNL     1       3.112   0.857   0.000  1.00  0.00           S  
HETATM   15  F   UNL     1      -2.510  -0.249   0.000  1.00  0.00           F  
HETATM   16  F   UNL     1      -3.112  -1.545   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7   15   16                                            
CONECT    9    3   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    9                                                 
CONECT   14   11                                                      
CONECT   15    8                                                      
CONECT   16    8                                                      
MASTER        0    0    0    0    0    0    0    0   16    0   16    0
END
M  END

$$$$
D0A0UX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.064   1.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.064   1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.350   0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.636   1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.636   1.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.350   2.269   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.921   0.619   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.207   1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.207   1.856   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.921   2.269   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.921  -0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.207  -0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.508  -0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.508   0.619   0.000  1.00  0.00           C  
HETATM   15  F   UNL     1      -2.350   3.094   0.000  1.00  0.00           F  
HETATM   16  F   UNL     1      -2.933   0.035   0.000  1.00  0.00           F  
HETATM   17  H   UNL     1       0.206   1.746   0.000  1.00  0.00           H  
HETATM   18  C   UNL     1      -1.636  -0.619   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.350  -1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.350  -1.856   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.636  -2.269   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.921  -1.856   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.921  -1.031   0.000  1.00  0.00           C  
HETATM   24 CL   UNL     1      -1.636  -3.094   0.000  1.00  0.00          Cl  
HETATM   25  C   UNL     1       1.091   0.035   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       1.911   0.128   0.000  1.00  0.00           O  
HETATM   27  P   UNL     1       2.350   0.826   0.000  1.00  0.00           P  
HETATM   28  O   UNL     1       2.078   1.605   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       1.299   1.877   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.600   1.439   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       2.933   1.410   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       3.064   0.414   0.000  1.00  0.00           C  
HETATM   33  S   UNL     1      -1.636   0.206   0.000  1.00  0.00           S  
HETATM   34  O   UNL     1      -2.047   0.918   0.000  1.00  0.00           O  
HETATM   35  O   UNL     1      -1.224  -0.506   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   16                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   15                                            
CONECT    7   33    4    8   11                                       
CONECT    8    7    9   14   17                                       
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    7   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    8   25   30                                       
CONECT   15    6                                                      
CONECT   16    3                                                      
CONECT   17    8                                                      
CONECT   18   33   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   21                                                      
CONECT   25   14   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   31   32                                       
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   14                                                 
CONECT   31   27                                                      
CONECT   32   27                                                      
CONECT   33   34   35    7   18                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0A0VH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.995   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.995  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.281  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.567  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.567   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.281   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.148  -0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.862  -0.412   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.862   0.412   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.148   0.825   0.000  1.00  0.00           C  
HETATM   11 CL   UNL     1      -1.281   1.650   0.000  1.00  0.00          Cl  
HETATM   12  O   UNL     1       0.148   1.650   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       1.577   0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.291   0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.291  -0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.006  -0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.720  -0.412   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       3.720   0.412   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       3.006   0.825   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       3.006   1.650   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       4.435  -0.825   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       1.577  -0.825   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.281  -1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.710   0.825   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.710   1.650   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.424   0.412   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.221   0.626   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.435  -0.171   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.638  -0.384   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.577  -1.650   0.000  1.00  0.00           C  
CONECT    1    2    6   24                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   23                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9    5   12                                            
CONECT   11    6                                                      
CONECT   12   10                                                      
CONECT   13    9   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16   22                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   14   20                                            
CONECT   20   19                                                      
CONECT   21   17                                                      
CONECT   22   15   30                                                 
CONECT   23    3                                                      
CONECT   24    1   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   26                                                 
CONECT   30   22                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0A0VI
  -OEChem-09301911132D

 63 66  0     1  0  0  0  0  0999 V2000
   12.8198   -2.4232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1333    0.1551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0604    3.0299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7579    0.1277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    1.7457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6874    0.0227    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   14.9550   -1.3402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2295    1.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0385    2.8220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9980   -0.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9765   -1.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2710    0.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6874    1.6322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7411    0.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7411    1.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7703   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1828   -0.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8751   -0.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8751    1.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0091    1.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0091    0.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1431    1.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5604    2.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5659    2.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1591    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9781    2.8683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1646    1.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5768    1.8503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836    2.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3457   -0.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    2.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9389   -1.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3842   -1.0152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9775   -1.5475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7318    0.4127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7318    1.2422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2247    1.9414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4363    2.1991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8577   -2.7264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3900   -2.1331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0954    0.4583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5631   -0.1350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8751   -0.7926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8751    2.4474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1477   -1.9296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3691   -0.8788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4722    0.0174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6919   -3.0299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2611    0.7618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5236    0.6442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2303    3.4347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6191    3.2654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8597   -1.0280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7764   -0.2353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5518    2.8265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8236    3.1507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3725   -1.3427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6868   -2.1613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5053   -1.8470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9352    3.0668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    2.3854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648    1.8336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 49  1  0  0  0  0
  2 17  1  0  0  0  0
  2 50  1  0  0  0  0
  3  9  1  0  0  0  0
  3 23  1  0  0  0  0
  4 27  1  0  0  0  0
  4 30  1  0  0  0  0
  5 28  1  0  0  0  0
  5 31  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  1  0  0  0  0
  7 11  1  0  0  0  0
  7 46  1  0  0  0  0
  7 47  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  2  0  0  0  0
  9 22  2  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 15  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 21  2  0  0  0  0
 18 44  1  0  0  0  0
 19 20  2  0  0  0  0
 19 45  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 48  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 51  1  0  0  0  0
 26 29  2  0  0  0  0
 26 52  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 53  1  0  0  0  0
 30 32  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
 31 33  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
 32 58  1  0  0  0  0
 32 59  1  0  0  0  0
 32 60  1  0  0  0  0
 33 61  1  0  0  0  0
 33 62  1  0  0  0  0
 33 63  1  0  0  0  0
M  END

$$$$
D0A0YI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786  -0.151   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.072  -0.564   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.357  -0.151   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.357  -0.564   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       1.072  -0.151   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.357   0.674   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1       1.786  -0.564   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.501  -0.151   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.501   0.674   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.786   1.087   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.072   0.674   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       3.215  -0.564   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       3.930  -0.151   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.930   0.674   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.215   1.087   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       4.644  -0.564   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.786   0.674   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.501   1.087   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.215   0.674   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.215  -0.151   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.501  -0.564   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.930  -0.564   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.930  -1.389   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.215  -1.801   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.501  -1.389   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.913   1.801   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.917   1.670   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1      -4.644  -0.151   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -4.644  -1.801   0.000  1.00  0.00           F  
HETATM   30  H   UNL     1       3.215  -1.389   0.000  1.00  0.00           H  
CONECT    1    2   17   21                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4    7   11                                            
CONECT    6    3                                                      
CONECT    7    5    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10   15                                            
CONECT   10    9   11                                                 
CONECT   11   10    5                                                 
CONECT   12    8   13   30                                            
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14    9                                                 
CONECT   16   13                                                      
CONECT   17    1   18                                                 
CONECT   18   17   19   26   27                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20    1   25                                            
CONECT   22   20   23   28                                            
CONECT   23   22   24   29                                            
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
CONECT   26   18                                                      
CONECT   27   18                                                      
CONECT   28   22                                                      
CONECT   29   23                                                      
CONECT   30   12                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0A0ZU
  -OEChem-09301911232D

 39 41  0     1  0  0  0  0  0999 V2000
    7.2764   -1.3047    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764    0.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8137    0.6140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0253    0.8716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3208   -0.9147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3208   -0.0853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    2.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    1.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881    2.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  2  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  2  0  0  0  0
  8 12  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 10 24  1  0  0  0  0
 13 16  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 19  1  0  0  0  0
 17 35  1  0  0  0  0
 18 20  2  0  0  0  0
 18 36  1  0  0  0  0
 19 21  2  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
M  END

$$$$
D0A1DV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.644   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.644  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.930  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.215  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.215   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.930   0.619   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.930   1.444   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1      -5.359   0.619   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -3.930  -1.856   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.501   0.619   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.786   0.206   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1      -2.501   1.444   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.072   0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.357   0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.357   0.619   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.072   0.206   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.786   0.619   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       2.501   0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.215   0.619   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.215   1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.501   1.856   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.786   1.444   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.930   0.206   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.644   0.619   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.644   1.444   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.930   1.856   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       5.359   1.856   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1       5.359   0.206   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       6.073   1.444   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       6.073   0.619   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.644   1.856   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.073   0.206   0.000  1.00  0.00           C  
CONECT    1    2    6    8                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   10                                            
CONECT    6    5    1    7                                            
CONECT    7    6   31                                                 
CONECT    8    1   32                                                 
CONECT    9    3                                                      
CONECT   10    5   11   12                                            
CONECT   11   10   13                                                 
CONECT   12   10                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21   26                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   19   24                                                 
CONECT   24   23   25   28                                            
CONECT   25   24   26   27                                            
CONECT   26   25   20                                                 
CONECT   27   25   29                                                 
CONECT   28   24   30                                                 
CONECT   29   27                                                      
CONECT   30   28                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0A2BX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.085   1.530   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.171   0.713   0.000  1.00  0.00           N  
HETATM    3  O   UNL     1      -0.836   1.865   0.000  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.386   1.254   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.975   0.542   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.310  -0.209   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.826  -0.875   0.000  1.00  0.00           N  
HETATM    8  O   UNL     1      -2.127  -0.295   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.161  -1.626   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.965  -1.797   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.051  -2.614   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1      -1.300  -2.949   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.750  -2.338   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.068  -2.424   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.627   1.941   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.339   1.530   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.051   1.941   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.051   2.764   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.339   3.175   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.627   2.764   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.763   1.530   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.763   0.708   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.051   0.297   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.229   0.297   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.640  -0.415   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       0.551  -1.758   0.000  1.00  0.00           O  
HETATM   27  N   UNL     1       0.402  -3.175   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -2.763  -3.025   0.000  1.00  0.00           C  
CONECT    1    2    3   15                                            
CONECT    2    1    5                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    2    6                                            
CONECT    6    5    7    8                                            
CONECT    7    6    9                                                 
CONECT    8    6                                                      
CONECT    9    7   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   28   10   12                                            
CONECT   12   11   13                                                 
CONECT   13   12    9   14                                            
CONECT   14   13   26   27                                            
CONECT   15    1   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   17   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   25                                                 
CONECT   25   24   23                                                 
CONECT   26   14                                                      
CONECT   27   14                                                      
CONECT   28   11                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0A2NA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.913  -1.484   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.199  -1.072   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.484  -1.484   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.770  -1.072   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.055  -1.484   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       0.659  -1.072   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       1.374  -1.484   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.088  -1.072   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.803  -1.484   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       3.517  -1.072   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.628  -1.072   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.342  -1.484   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.342  -2.309   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.628  -2.722   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.913  -2.309   0.000  1.00  0.00           C  
HETATM   16  F   UNL     1      -5.057  -2.722   0.000  1.00  0.00           F  
HETATM   17  C   UNL     1      -0.770  -0.247   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       2.088  -0.247   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.055  -2.309   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       1.374  -2.309   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.088  -2.722   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       2.803  -2.309   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       4.232  -1.484   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.644  -2.199   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.057  -1.484   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.357   0.468   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.468   0.468   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.880   1.182   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.468   1.897   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.357   1.897   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.770   1.182   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       0.880   2.611   0.000  1.00  0.00           O  
HETATM   33 CL   UNL     1       1.705   1.182   0.000  1.00  0.00          Cl  
HETATM   34 CL   UNL     1      -0.357   2.722   0.000  1.00  0.00          Cl  
HETATM   35  C   UNL     1      -2.200  -0.247   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1      -3.025  -0.247   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -2.200   0.578   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1      -1.375  -0.247   0.000  1.00  0.00           F  
CONECT    1    2   11   15                                            
CONECT    2    1    3   35                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   17                                            
CONECT    5    4    6   19                                            
CONECT    6    5    7                                                 
CONECT    7    6    8   20                                            
CONECT    8    7    9   18                                            
CONECT    9    8   10   22                                            
CONECT   10    9   23                                                 
CONECT   11    1   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14    1                                                 
CONECT   16   13                                                      
CONECT   17    4   26                                                 
CONECT   18    8                                                      
CONECT   19    5                                                      
CONECT   20    7   21                                                 
CONECT   21   20                                                      
CONECT   22    9                                                      
CONECT   23   10   24   25                                            
CONECT   24   23   25                                                 
CONECT   25   24   23                                                 
CONECT   26   17   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29   33                                            
CONECT   29   28   30   32                                            
CONECT   30   29   31   34                                            
CONECT   31   30   26                                                 
CONECT   32   29                                                      
CONECT   33   28                                                      
CONECT   34   30                                                      
CONECT   35    2   36   37   38                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0A2NT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.267  -0.024   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.267  -0.849   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.553  -1.261   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.838  -0.849   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.838  -0.024   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.553   0.389   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.982  -1.261   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.696  -0.849   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.124   0.389   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.409  -0.024   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -1.124   1.214   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.305   0.389   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.020  -0.024   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.734   0.389   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.734   1.214   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.020   1.626   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.305   1.214   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.519   0.134   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.004   0.801   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.519   1.469   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.020  -0.849   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.829   0.801   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       4.241   0.087   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       5.066   0.087   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.479  -0.628   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.774   2.253   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       5.066  -1.342   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.479  -2.057   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       6.304  -2.057   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       6.716  -1.342   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       6.304  -0.628   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.410  -1.261   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1      -6.164  -0.926   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1      -6.716  -1.539   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.304  -2.253   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.497  -2.082   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7   32                                                 
CONECT    9    5   10   11                                            
CONECT   10    9   12                                                 
CONECT   11    9                                                      
CONECT   12   10   13   17                                            
CONECT   13   12   14   21                                            
CONECT   14   13   15   18                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   14   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   15   26                                            
CONECT   21   13                                                      
CONECT   22   19   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   27   31                                            
CONECT   26   20                                                      
CONECT   27   25   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   25                                                 
CONECT   32    8   33   36                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   32                                                 
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0A2PY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.560   0.080   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.474  -0.741   0.000  1.00  0.00           N  
HETATM    3  N   UNL     1      -0.667  -0.912   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.255  -0.198   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.806   0.416   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.087  -1.292   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.872  -1.038   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.485  -1.590   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.313  -2.397   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.529  -2.651   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.915  -2.099   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -1.131  -2.354   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1       0.566  -0.111   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.118  -0.724   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.275   0.492   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.275   1.317   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.989   1.730   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.704   1.317   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.704   0.492   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.989   0.080   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1      -4.418   1.730   0.000  1.00  0.00          Cl  
HETATM   22  O   UNL     1       0.862   0.659   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.943  -0.724   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.904  -1.521   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.356  -1.439   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.181  -1.439   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       3.593  -0.724   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       3.181  -0.010   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.356  -0.010   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.418  -0.724   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.635   1.223   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.048   1.937   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1      -1.873   1.937   0.000  1.00  0.00           O  
HETATM   34  N   UNL     1      -0.635   2.651   0.000  1.00  0.00           N  
CONECT    1    2    5   15                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    1   31                                            
CONECT    6    2    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    6   12                                            
CONECT   12   11                                                      
CONECT   13    4   14   22                                            
CONECT   14   13   23   24                                            
CONECT   15    1   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18                                                      
CONECT   22   13                                                      
CONECT   23   14   25   29                                            
CONECT   24   14                                                      
CONECT   25   23   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   23                                                 
CONECT   30   27                                                      
CONECT   31    5   32                                                 
CONECT   32   31   33   34                                            
CONECT   33   32                                                      
CONECT   34   32                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0A2RI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.619   0.000   0.000  1.00  0.00           C  
HETATM    2  O   UNL     1       1.444   0.000   0.000  1.00  0.00           O  
HETATM    3  C   UNL     1      -0.206   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.619   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.619  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.096  -1.238   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.096  -2.062   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.619  -2.475   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.333  -2.062   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.333  -1.238   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.619   0.715   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.444   0.715   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.856   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.444  -0.715   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.619  -0.715   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.333   1.238   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.333   2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.619   2.475   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.096   2.062   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.096   1.238   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.856  -0.715   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.681  -0.715   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.681   0.000   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       3.094  -1.429   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.094  -0.715   0.000  1.00  0.00           C  
CONECT    1    2    3    4    5                                       
CONECT    2    1   21                                                 
CONECT    3    1   11   15                                            
CONECT    4    1   16   20                                            
CONECT    5    1    6   10                                            
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    3   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   23                                            
CONECT   14   13   15                                                 
CONECT   15   14    3                                                 
CONECT   16    4   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19    4                                                 
CONECT   21    2   22                                                 
CONECT   22   21   24                                                 
CONECT   23   13   25                                                 
CONECT   24   22                                                      
CONECT   25   23                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0A2ZO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.215  -0.206   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1      -0.357  -0.206   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1       0.357   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.072  -0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.786   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.786   1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.072   1.444   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.357   1.031   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       2.501   1.444   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       3.215   1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.215   0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.930  -0.206   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       4.644   0.206   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       4.644   1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.930   1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.930   0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.644  -0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.644  -1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.930  -1.444   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.215  -1.031   0.000  1.00  0.00           C  
CONECT    1    2   19   23                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11                                                 
CONECT   11   10    6                                                 
CONECT   12    9   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19    1   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22    1                                                 
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0A3MV
  -OEChem-10191523052D

 33 34  0     0  0  0  0  0  0999 V2000
    3.7891    2.7071    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.8807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9170    5.3807    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5158    4.3626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    2.7071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5103    4.4672    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    3.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    3.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.2981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -0.9884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.0707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.6907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.6907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625    4.1597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -4.8438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -5.6907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -5.9176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 14  1  0  0  0  0
  2 21  1  0  0  0  0
  3 17  2  0  0  0  0
  4  9  1  0  0  0  0
  5  9  2  0  0  0  0
  6 11  1  0  0  0  0
  6 17  1  0  0  0  0
  6 26  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 29  1  0  0  0  0
  8 18  2  0  0  0  0
  8 20  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 15  1  0  0  0  0
 12 24  1  0  0  0  0
 13 16  2  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 19 20  2  0  0  0  0
 20 30  1  0  0  0  0
 21 31  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
M  CHG  2   4  -1   9   1
M  END

$$$$
D0A3XC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.345  -0.378   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.369   0.034   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.084  -0.378   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.798   0.034   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.060   0.034   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.060   0.859   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.774   1.272   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.488   0.859   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.488   0.034   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.774  -0.378   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.203  -0.378   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.203  -1.203   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.488  -1.616   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.774  -1.203   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.369   0.859   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.187   1.986   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.361   1.986   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -3.917   0.034   0.000  1.00  0.00          Cl  
HETATM   19  F   UNL     1      -3.917  -1.616   0.000  1.00  0.00           F  
HETATM   20  C   UNL     1       2.513  -0.378   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.227   0.034   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.227   0.859   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.513   1.272   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.798   0.859   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.684  -1.185   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.505  -1.272   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.840  -0.518   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       3.917  -1.986   0.000  1.00  0.00           O  
CONECT    1    2    5                                                 
CONECT    2    1    3   15                                            
CONECT    3    2    4                                                 
CONECT    4    3   20   24                                            
CONECT    5    1    6   10                                            
CONECT    6    5    7                                                 
CONECT    7    6    8   16   17                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12   18                                            
CONECT   12   11   13   19                                            
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15    2                                                      
CONECT   16    7                                                      
CONECT   17    7                                                      
CONECT   18   11                                                      
CONECT   19   12                                                      
CONECT   20    4   21   25                                            
CONECT   21   20   22   27                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23    4                                                 
CONECT   25   20   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   21                                                 
CONECT   28   26                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0A4LL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  O   UNL     1       2.598   0.853   0.000  1.00  0.00           O  
HETATM    2  C   UNL     1       3.312   0.441   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       4.027   0.853   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       4.780   0.518   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       5.332   1.131   0.000  1.00  0.00           N  
HETATM    6  O   UNL     1       4.920   1.845   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1       4.113   1.674   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       4.952  -0.289   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       4.339  -0.841   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       4.510  -1.648   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       5.295  -1.903   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       5.908  -1.351   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       5.737  -0.544   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.500   2.226   0.000  1.00  0.00           C  
HETATM   15 CL   UNL     1       3.554  -0.586   0.000  1.00  0.00          Cl  
HETATM   16 CL   UNL     1       6.350   0.008   0.000  1.00  0.00          Cl  
HETATM   17  C   UNL     1       3.245   3.010   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.693   2.397   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.883   0.441   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.169   0.853   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.455   0.441   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       0.455  -0.384   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.169  -0.797   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.883  -0.384   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.260  -0.797   0.000  1.00  0.00           C  
HETATM   26  S   UNL     1      -1.014  -0.461   0.000  1.00  0.00           S  
HETATM   27  C   UNL     1      -1.566  -1.074   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.153  -1.789   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -0.346  -1.617   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -2.391  -1.074   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.803  -1.789   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.391  -2.503   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.566  -2.503   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.492  -2.185   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1      -4.206  -1.773   0.000  1.00  0.00           N  
HETATM   36  O   UNL     1      -3.492  -3.010   0.000  1.00  0.00           O  
HETATM   37  S   UNL     1      -4.921  -2.185   0.000  1.00  0.00           S  
HETATM   38  N   UNL     1      -5.635  -1.773   0.000  1.00  0.00           N  
HETATM   39  C   UNL     1      -6.350  -2.185   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.635  -0.948   0.000  1.00  0.00           C  
HETATM   41  O   UNL     1      -5.504  -2.769   0.000  1.00  0.00           O  
HETATM   42  O   UNL     1      -4.508  -2.900   0.000  1.00  0.00           O  
CONECT    1    2   19                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    3   14                                            
CONECT    8    4    9   13                                            
CONECT    9    8   10   15                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8   16                                            
CONECT   14    7   17   18                                            
CONECT   15    9                                                      
CONECT   16   13                                                      
CONECT   17   14   18                                                 
CONECT   18   17   14                                                 
CONECT   19    1   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29   33                                            
CONECT   29   28   25                                                 
CONECT   30   27   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34   35   36   31                                            
CONECT   35   34   37                                                 
CONECT   36   34                                                      
CONECT   37   35   38   41   42                                       
CONECT   38   37   39   40                                            
CONECT   39   38                                                      
CONECT   40   38                                                      
CONECT   41   37                                                      
CONECT   42   37                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D0A4RP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.240  -0.139   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.240  -0.964   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.955  -1.376   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.669  -0.964   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.669  -0.139   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       0.955   0.274   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.474   0.274   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.188  -0.139   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.188  -0.964   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.474  -1.376   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.955   1.099   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.669   1.511   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       2.384   1.099   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       3.098   1.511   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.098   2.336   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.384   2.749   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.669   2.336   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.903  -1.376   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.657  -1.041   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.209  -1.654   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1      -2.796  -2.368   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.989  -2.197   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.828  -0.234   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.376  -2.749   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.903   0.274   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.903   1.099   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       2.384   0.274   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       2.384  -1.376   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       3.098  -0.964   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       2.384  -2.201   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       1.559  -2.201   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       2.384  -1.376   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       3.209  -2.201   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   28                                            
CONECT    5    4    6   27                                            
CONECT    6    5    1   11                                            
CONECT    7    1    8                                                 
CONECT    8    7    9   25                                            
CONECT    9    8   10   18                                            
CONECT   10    9    2                                                 
CONECT   11    6   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    9   19   22                                            
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   18   24                                            
CONECT   23   19                                                      
CONECT   24   22                                                      
CONECT   25    8   26                                                 
CONECT   26   25                                                      
CONECT   27    5                                                      
CONECT   28    4   29   30                                            
CONECT   29   28                                                      
CONECT   30   28   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0A4YR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.290  -0.619   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.425  -0.207   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.139  -0.619   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.853  -0.207   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.004  -0.207   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       0.425   0.618   0.000  1.00  0.00           O  
HETATM    7  N   UNL     1       2.607  -0.542   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1       3.159   0.071   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.747   0.785   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.940   0.614   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.833   1.606   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       1.527   1.328   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.779  -1.349   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.091   0.614   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.898   0.785   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.310   0.071   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.758  -0.542   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.930  -1.349   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.714  -1.604   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.886  -2.411   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.273  -2.963   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.488  -2.708   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.317  -1.901   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.166  -1.901   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.337  -2.708   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.122  -2.963   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.735  -2.411   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.563  -1.604   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.306   1.610   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.020   2.023   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.020   2.848   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.735   3.260   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1      -0.875  -3.260   0.000  1.00  0.00           F  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    7   10                                            
CONECT    5    1   14   17                                            
CONECT    6    2                                                      
CONECT    7    4    8   13                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    4   12                                            
CONECT   11    9                                                      
CONECT   12   10                                                      
CONECT   13    7   24   28                                            
CONECT   14    5   15                                                 
CONECT   15   14   16   29                                            
CONECT   16   15   17                                                 
CONECT   17   16    5   18                                            
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   33                                            
CONECT   23   22   18                                                 
CONECT   24   13   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   13                                                 
CONECT   29   15   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31                                                      
CONECT   33   22                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0A5FR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.525   0.014   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.189   0.427   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.904   0.014   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.904  -0.811   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.189  -1.223   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.525  -0.811   0.000  1.00  0.00           C  
HETATM    7 BR   UNL     1      -1.618   0.427   0.000  1.00  0.00          Br  
HETATM    8  C   UNL     1       1.170  -1.325   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.975  -1.142   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       2.333  -0.398   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.975   0.345   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.170   0.528   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.618  -1.223   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.333  -0.811   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.957   1.325   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   13                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    3                                                      
CONECT    8    6    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    1   15                                            
CONECT   13    4   14                                                 
CONECT   14   13                                                      
CONECT   15   12                                                      
MASTER        0    0    0    0    0    0    0    0   15    0   15    0
END
M  END

$$$$
D0A5JS
  -OEChem-09301911282D

 89 93  0     1  0  0  0  0  0999 V2000
    2.8602   -2.4692    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9658    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000   -0.4758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961   -7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    5.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -5.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    5.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2641   -1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3701   -2.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3701   -0.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7282   -1.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -0.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3263    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3263    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4602    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4602    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2689   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2689   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9765   -3.0137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7747    0.0044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5932   -3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8532   -1.9147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2651    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9368    6.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 32  1  0  0  0  0
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  3 28  1  0  0  0  0
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 13 44  1  0  0  0  0
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 14 46  1  0  0  0  0
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 15 47  1  0  0  0  0
 16 20  1  0  0  0  0
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 16 49  1  0  0  0  0
 17 19  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 18 52  1  0  0  0  0
 19 20  1  0  0  0  0
 19 53  1  0  0  0  0
 20 54  1  0  0  0  0
 20 55  1  0  0  0  0
 22 25  1  0  0  0  0
 22 56  1  0  0  0  0
 22 57  1  0  0  0  0
 23 26  1  0  0  0  0
 23 58  1  0  0  0  0
 23 59  1  0  0  0  0
 25 60  1  0  0  0  0
 25 61  1  0  0  0  0
 26 62  1  0  0  0  0
 26 63  1  0  0  0  0
 27 29  1  0  0  0  0
 27 64  1  0  0  0  0
 27 65  1  0  0  0  0
 28 31  1  0  0  0  0
 28 32  1  0  0  0  0
 28 66  1  0  0  0  0
 29 33  2  0  0  0  0
 29 34  1  0  0  0  0
 30 67  1  0  0  0  0
 31 68  1  0  0  0  0
 31 69  1  0  0  0  0
 32 70  1  0  0  0  0
 32 71  1  0  0  0  0
 33 35  1  0  0  0  0
 33 72  1  0  0  0  0
 34 36  2  0  0  0  0
 34 73  1  0  0  0  0
 35 37  2  0  0  0  0
 36 37  1  0  0  0  0
 36 74  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 38 75  1  0  0  0  0
 38 76  1  0  0  0  0
 39 41  1  0  0  0  0
 39 77  1  0  0  0  0
 39 78  1  0  0  0  0
 40 42  1  0  0  0  0
 40 79  1  0  0  0  0
 40 80  1  0  0  0  0
 41 81  1  0  0  0  0
 41 82  1  0  0  0  0
 42 83  1  0  0  0  0
 42 84  1  0  0  0  0
 43 44  1  0  0  0  0
 43 85  1  0  0  0  0
 43 86  1  0  0  0  0
 45 87  1  0  0  0  0
 45 88  1  0  0  0  0
 45 89  1  0  0  0  0
M  END

$$$$
D0A5NC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.645   0.411   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.645  -0.414   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.931  -0.826   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.216  -0.414   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.216   0.411   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.931   0.824   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.502  -0.826   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.787  -0.414   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.073  -0.826   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -1.787   0.411   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.358  -0.414   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.356  -0.826   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.070  -0.414   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.070   0.411   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.356   0.824   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.358   0.411   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.785   0.824   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.499   0.411   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.499  -0.414   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.214  -0.826   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.928  -0.414   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       3.928   0.411   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.214   0.824   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.643   0.824   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       5.357   0.411   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       6.072   0.824   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       4.643   1.649   0.000  1.00  0.00           O  
HETATM   28  S   UNL     1      -5.360  -0.826   0.000  1.00  0.00           S  
HETATM   29  F   UNL     1      -5.360  -0.004   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -6.072  -0.415   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -6.072  -1.238   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -5.360  -1.649   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -4.648  -1.238   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2   28    1    3                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   18                                                 
CONECT   24   22   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25                                                      
CONECT   27   24                                                      
CONECT   28   29   30   31   32                                       
CONECT   28   33    2                                                 
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
CONECT   32   28                                                      
CONECT   33   28                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0A5NU
  -OEChem-09301911182D

 45 46  0     1  0  0  0  0  0999 V2000
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    2.0000   -3.0230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -1.7130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1 17  1  0  0  0  0
  2 41  1  0  0  0  0
  3 42  1  0  0  0  0
  5 23  1  0  0  0  0
  5 25  1  0  0  0  0
  6 22  2  0  0  0  0
  7 23  2  0  0  0  0
  8 13  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 14  1  0  0  0  0
  9 18  1  0  0  0  0
  9 21  1  0  0  0  0
 10 19  1  0  0  0  0
 10 21  2  0  0  0  0
 11 18  2  0  0  0  0
 11 24  1  0  0  0  0
 12 22  1  0  0  0  0
 12 24  2  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 17  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 20  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 19 22  1  0  0  0  0
 19 36  1  0  0  0  0
 20 23  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 24 40  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
M  END

$$$$
D0A5OT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -0.564   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -1.389   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -1.801   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -1.389   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072  -0.564   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786  -0.151   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.215  -0.151   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.357  -0.151   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.357  -0.564   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.072  -0.151   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.215   0.674   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.930   1.087   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.644   0.674   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.644  -0.151   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.930  -0.564   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -5.359   1.087   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -6.073   0.674   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.073  -0.151   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -5.359  -0.564   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.786   0.674   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.786  -0.564   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.501  -0.151   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.501   0.674   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.786   1.087   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.072   0.674   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.215  -0.564   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       3.930  -0.151   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       4.644  -0.564   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.359  -0.151   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.644   0.262   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       6.073  -0.564   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       0.356   1.087   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1       0.769   1.801   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       1.071   0.674   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -0.056   0.372   0.000  1.00  0.00           F  
HETATM   36  C   UNL     1       4.642  -1.389   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1       5.356  -1.801   0.000  1.00  0.00           O  
HETATM   38  O   UNL     1       3.928  -1.801   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1   20                                            
CONECT    7    1   11   15                                            
CONECT    8    5    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   21   25                                            
CONECT   11    7   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   19                                            
CONECT   15   14    7                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20    6                                                      
CONECT   21   10   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   10   32                                            
CONECT   26   22   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   30   36                                       
CONECT   29   28   31                                                 
CONECT   30   28                                                      
CONECT   31   29                                                      
CONECT   32   25   33   34   35                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
CONECT   36   28   37   38                                            
CONECT   37   36                                                      
CONECT   38   36                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0A5QV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.072  -0.511   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.072  -1.337   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.358  -1.749   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.643  -1.337   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.643  -0.511   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.358  -0.099   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.141  -1.591   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.626  -0.924   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.141  -0.257   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -1.358   0.726   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.643   1.139   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.643   1.964   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.358   2.376   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.072   1.964   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.072   1.139   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.787   2.376   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.787  -1.749   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.396  -2.376   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.451  -0.924   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       0.396   0.528   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.193   0.742   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.776   0.158   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.573   0.372   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.787   1.169   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.204   1.752   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.407   1.538   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.822   2.124   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       1.619   1.910   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   17                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8   18                                            
CONECT    8    7    9   19                                            
CONECT    9    8    5   20                                            
CONECT   10    6   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   10                                                 
CONECT   16   14                                                      
CONECT   17    2                                                      
CONECT   18    7                                                      
CONECT   19    8                                                      
CONECT   20    9   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21   27                                            
CONECT   27   26   28                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0A5YE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.571  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.571  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.857  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.142  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.142  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.857   0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.428   0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.428   1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.142   1.444   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.857   1.031   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -2.142   2.269   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.713  -0.206   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       0.001   0.206   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.713  -1.031   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.001  -1.444   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.428  -1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.428  -2.269   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.716  -1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.430  -1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.145  -1.031   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.145  -0.206   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.430   0.206   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.716  -0.206   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.859   0.206   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1       3.270  -0.506   0.000  1.00  0.00           F  
HETATM   26  F   UNL     1       3.571   0.617   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1       2.448   0.918   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   10                                            
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    6                                                 
CONECT   11    9                                                      
CONECT   12    7   13   14                                            
CONECT   13   12                                                      
CONECT   14   12   15   16                                            
CONECT   15   14   18                                                 
CONECT   16   14   17                                                 
CONECT   17   16                                                      
CONECT   18   15   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   24   20   22                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   25   26   27   21                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0A6EX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.350   0.933   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.636   0.520   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.636  -0.305   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.078  -0.717   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.793  -0.305   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.793   0.520   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.078   0.933   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       0.078   1.758   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       1.507  -0.717   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.222  -0.305   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.936  -0.717   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.936  -1.542   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.651  -1.955   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.365  -1.542   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.365  -0.717   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.651  -0.305   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       5.150  -1.797   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       5.635  -1.130   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       5.150  -0.462   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       5.405  -2.582   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.350   1.758   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.065   2.170   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.779   1.758   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.779   0.933   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.065   0.520   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.494   2.170   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.208   1.758   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.208   0.933   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.494   0.520   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.923   2.170   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -5.635   2.582   0.000  1.00  0.00           N  
CONECT    1    2   21   25                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    7                                                 
CONECT    7    6    2    8                                            
CONECT    8    7                                                      
CONECT    9    5   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16   19                                            
CONECT   16   15   11                                                 
CONECT   17   14   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   15                                                 
CONECT   20   17                                                      
CONECT   21    1   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25   29                                            
CONECT   25   24    1                                                 
CONECT   26   23   27                                                 
CONECT   27   30   26   28                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   31   27                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0A6LI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.116   1.115   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.116   0.290   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.402  -0.123   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.687   0.290   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.687   1.115   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.402   1.527   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -3.402   2.352   0.000  1.00  0.00           F  
HETATM    8  F   UNL     1      -3.402  -0.948   0.000  1.00  0.00           F  
HETATM    9  C   UNL     1      -1.973  -0.123   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.973  -0.948   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.258  -1.360   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.544  -0.948   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.544  -0.123   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.258   0.290   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.258   1.115   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1       0.171  -1.360   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.257  -2.181   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.064  -2.352   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.476  -1.638   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.924  -1.025   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.028  -2.251   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.782  -1.915   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.696  -1.095   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.889  -0.923   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.137   0.264   0.000  1.00  0.00           C  
HETATM   26  S   UNL     1       3.299  -0.524   0.000  1.00  0.00           S  
HETATM   27  O   UNL     1       4.116  -0.410   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1       3.554  -1.309   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    3                                                      
CONECT    9   10   14    4                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13    9   15                                            
CONECT   15   14                                                      
CONECT   16   17   20   12                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21   24                                       
CONECT   20   19   16                                                 
CONECT   21   19   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   19                                                 
CONECT   25   26                                                      
CONECT   26   23   25   27   28                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0A6QI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.064   1.348   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.352   0.937   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.741   1.487   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.075   2.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.893   2.152   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.937   1.316   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.386   1.927   0.000  1.00  0.00           N  
HETATM    8  O   UNL     1      -3.683   0.534   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.569   1.841   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.234   2.592   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.845   3.143   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.557   2.732   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.158   1.129   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.336   1.129   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1      -2.569   0.417   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       6.064  -3.143   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       5.242  -3.143   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       4.830  -2.431   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.008  -2.431   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.597  -1.719   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.775  -1.719   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.364  -1.007   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.542  -1.007   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.131  -0.295   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.309  -0.295   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.102   0.417   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.924   0.417   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4    1                                                 
CONECT    6    3    7    8                                            
CONECT    7    6    9   12                                            
CONECT    8    6                                                      
CONECT    9    7   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    9   14   15                                            
CONECT   14   27   13                                                 
CONECT   15   13                                                      
CONECT   16   17                                                      
CONECT   17   18   16                                                 
CONECT   18   19   17                                                 
CONECT   19   20   18                                                 
CONECT   20   21   19                                                 
CONECT   21   22   20                                                 
CONECT   22   23   21                                                 
CONECT   23   24   22                                                 
CONECT   24   25   23                                                 
CONECT   25   26   24                                                 
CONECT   26   27   25                                                 
CONECT   27   26   14                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0A6RG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501   1.650   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.215   2.062   0.000  1.00  0.00           N  
HETATM    7  O   UNL     1      -1.786   2.062   0.000  1.00  0.00           O  
HETATM    8  N   UNL     1      -1.786   0.412   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.072   0.825   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.357   0.412   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.357   0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.357   1.650   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.357   2.062   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.072   1.650   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       1.072   2.062   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.786   1.650   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.072   0.412   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.072  -0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.786  -0.825   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.786  -1.650   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.501  -2.062   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.215  -1.650   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.215  -0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.501  -0.412   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1       3.930  -2.062   0.000  1.00  0.00           F  
HETATM   26  C   UNL     1       0.357  -0.825   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    4    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   17                                            
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16                                                 
CONECT   16   15                                                      
CONECT   17   11   18                                                 
CONECT   18   17   19   26                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22                                                      
CONECT   26   18                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0A6RR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.001   1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.001   0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.287   0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.572   0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.572   1.444   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.287   1.856   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.858   0.206   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.716   1.856   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.858  -0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.143  -1.031   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.429  -0.619   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.429   0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.143   0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.715  -1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.000  -0.619   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.715  -1.031   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.429  -0.619   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       0.000   0.206   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.143  -1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.858  -0.619   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.858   0.206   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.143   0.619   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.429   0.206   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.572   0.619   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.287   0.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       5.001   0.619   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       5.716   0.206   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1      -4.287  -0.619   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -5.001  -1.031   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.001  -1.856   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -0.715   0.619   0.000  1.00  0.00           F  
HETATM   32  C   UNL     1       3.874  -0.508   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.699  -0.508   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.572  -1.031   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1       3.160  -1.746   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1       4.287  -1.444   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1       3.985  -0.317   0.000  1.00  0.00           F  
CONECT    1    2    6    8                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   28                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    9   13                                            
CONECT    8    1                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13   31                                            
CONECT   13   12    7                                                 
CONECT   14   11   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   19   23                                            
CONECT   18   15                                                      
CONECT   19   17   20                                                 
CONECT   20   34   19   21                                            
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   17                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26   32   33                                       
CONECT   26   25   27                                                 
CONECT   27   26                                                      
CONECT   28    3   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29                                                      
CONECT   31   12                                                      
CONECT   32   25                                                      
CONECT   33   25                                                      
CONECT   34   35   36   37   20                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0A6TU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.740   0.901   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.740   0.076   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.565   0.076   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.565   0.901   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.156   1.484   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.148   1.484   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.148  -0.507   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.156  -0.507   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.370   2.281   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.214   2.865   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.010   2.651   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.224   1.854   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.641   1.271   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       2.942   1.271   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1       1.935   2.278   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1      -0.641  -0.721   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.053  -1.435   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.878  -1.435   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.291  -2.150   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.878  -2.865   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.053  -2.865   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.641  -2.150   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.291  -0.721   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.116  -0.721   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.528  -1.435   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.116  -2.150   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.934  -1.304   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.518  -1.888   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.315  -1.674   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.528  -0.877   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.945  -0.294   0.000  1.00  0.00           C  
CONECT    1    2    4    5                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4    7                                            
CONECT    4    3    1    6                                            
CONECT    5    1    9   13                                            
CONECT    6    4   14   15                                            
CONECT    7    3   27   31                                            
CONECT    8    2   16                                                 
CONECT    9    5   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    5                                                 
CONECT   14    6                                                      
CONECT   15    6                                                      
CONECT   16    8   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19   23                                            
CONECT   19   18   20   26                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   18   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   19                                                 
CONECT   27    7   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30    7                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0A7CE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.380   0.111   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.380  -0.715   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.666  -1.127   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.951  -0.715   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.951   0.111   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.666   0.523   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -0.167  -0.969   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1       0.318  -0.302   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.167   0.365   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1       1.143  -0.302   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.556   0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.381   0.412   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       1.143   1.127   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1      -2.381   0.523   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.666   0.111   0.000  1.00  0.00           C  
CONECT    1    2    6   14                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14    1   15                                                 
CONECT   15   14                                                      
MASTER        0    0    0    0    0    0    0    0   15    0   15    0
END
M  END

$$$$
D0A7NX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.263  -1.115   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.438  -1.115   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.026  -0.400   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.438   0.314   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.263   0.314   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.676  -0.400   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.219  -0.229   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.132   0.592   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.886   0.927   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.418   1.004   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.418   1.829   0.000  1.00  0.00           O  
HETATM   12 BR   UNL     1      -3.676  -1.829   0.000  1.00  0.00          Br  
HETATM   13  N   UNL     1       0.296   0.592   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.235  -0.231   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.840  -0.792   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.655  -0.669   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.068   0.045   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.766   0.813   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.978   1.056   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.208  -1.282   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.961  -0.947   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1       2.875  -0.126   0.000  1.00  0.00           S  
HETATM   23  O   UNL     1       3.676  -1.359   0.000  1.00  0.00           O  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    4                                                 
CONECT   10    8   11   13                                            
CONECT   11   10                                                      
CONECT   12    1                                                      
CONECT   13   10   14   19                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   13                                                 
CONECT   20   16   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   17                                                 
CONECT   23   21                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0A8BV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143  -1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -2.269   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.429  -2.681   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.714  -2.269   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.714  -1.444   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.429  -1.031   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.000  -2.681   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.714  -2.269   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.429  -2.681   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.143  -2.269   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.143  -1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.429  -1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.714  -1.444   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       2.858  -1.031   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1      -1.429  -0.206   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1       2.858  -2.681   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1       1.429  -0.206   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       0.714   0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.572  -1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.572  -2.269   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.143   1.031   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.858   1.444   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.572   1.031   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.572   0.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.858  -0.206   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.429   1.444   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.714   1.031   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       0.000   1.444   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.000   2.269   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.714   2.681   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.429   2.269   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   15                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   16                                            
CONECT   11   10   12   14                                            
CONECT   12   11   13   17                                            
CONECT   13   12    8                                                 
CONECT   14   11   19                                                 
CONECT   15    6   21                                                 
CONECT   16   10   20                                                 
CONECT   17   12   18                                                 
CONECT   18   17                                                      
CONECT   19   14                                                      
CONECT   20   16                                                      
CONECT   21   15   22   26                                            
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   22   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0A8EN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.715   0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.715  -0.206   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.000  -0.619   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.715  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.715   0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.000   1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429   1.031   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.143   0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.429   1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.143   0.619   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.858   1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.572   0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.572  -0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.858  -0.619   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.143  -0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.858  -0.619   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.572  -0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.572   0.619   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.858   1.031   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       0.000   1.856   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       0.000  -1.444   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.715  -1.856   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       0.715  -1.856   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.429  -1.444   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -4.287  -0.619   0.000  1.00  0.00           N1+
HETATM   27  O   UNL     1      -4.287  -1.444   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1      -5.001  -0.206   0.000  1.00  0.00           O1-
HETATM   29  N   UNL     1       4.287  -0.619   0.000  1.00  0.00           N1+
HETATM   30  O   UNL     1       4.287  -1.444   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       5.001  -0.206   0.000  1.00  0.00           O1-
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   22                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1   21                                            
CONECT    7    1    8                                                 
CONECT    8    7   11   15                                            
CONECT    9    5   10                                                 
CONECT   10    9   16   20                                            
CONECT   11    8   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   26                                            
CONECT   14   13   15                                                 
CONECT   15   14    8                                                 
CONECT   16   10   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   29                                            
CONECT   19   18   20                                                 
CONECT   20   19   10                                                 
CONECT   21    6                                                      
CONECT   22    3   23   24                                            
CONECT   23   22                                                      
CONECT   24   22   25                                                 
CONECT   25   24                                                      
CONECT   26   13   27   28                                            
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   18   30   31                                            
CONECT   30   29                                                      
CONECT   31   29                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0A8EV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.072  -0.996   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.072  -1.821   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.357  -2.234   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.357  -1.821   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.357  -0.996   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.357  -0.584   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       1.072  -2.234   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.786  -1.821   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.786  -0.996   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.072  -0.584   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.786  -2.234   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.529   0.223   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.349   0.309   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -1.685  -0.444   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.023   0.836   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.830   0.665   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.382   1.278   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.127   2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.320   2.234   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.232   1.621   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1      -1.039   1.792   0.000  1.00  0.00          Cl  
HETATM   22  F   UNL     1       1.072   0.241   0.000  1.00  0.00           F  
CONECT    1    2    6   14                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   12                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   22                                            
CONECT   11    2                                                      
CONECT   12    6   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    1                                                 
CONECT   15   12   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
CONECT   22   10                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0A8KL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.710  -1.013   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.710  -1.838   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.995  -2.251   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.281  -1.838   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.281  -1.013   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.995  -0.601   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -2.323  -2.390   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1      -1.987  -3.144   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.167  -3.058   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -0.995   0.224   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1       0.434  -0.601   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.148  -1.013   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.148  -1.838   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.863  -2.251   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.577  -1.838   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.577  -1.013   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.863  -0.601   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1       1.863   0.224   0.000  1.00  0.00          Cl  
HETATM   19 BR   UNL     1       3.292  -2.251   0.000  1.00  0.00          Br  
HETATM   20  S   UNL     1      -1.710   0.637   0.000  1.00  0.00           S  
HETATM   21  F   UNL     1       0.434  -2.251   0.000  1.00  0.00           F  
HETATM   22  O   UNL     1      -1.126   1.220   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.293   0.053   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.424   1.049   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.837   1.764   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.249   1.049   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.841   1.633   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.054   2.429   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.879   2.429   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.552   3.084   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1      -3.292   3.144   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5   21                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1   10                                            
CONECT    7    2    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    3                                                 
CONECT   10    6   20                                                 
CONECT   11    5   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   18                                            
CONECT   18   17                                                      
CONECT   19   15                                                      
CONECT   20   10   22   23   24                                       
CONECT   21    4                                                      
CONECT   22   20                                                      
CONECT   23   20                                                      
CONECT   24   20   25   26   27                                       
CONECT   25   24   26                                                 
CONECT   26   25   24                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28   31                                                 
CONECT   30   28                                                      
CONECT   31   29                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0A8LU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.881   1.197   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.603   1.596   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.310   1.170   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.294   0.345   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.572  -0.054   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.865   0.372   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.032   1.569   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.143  -0.027   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.437   0.399   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.715   0.000   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -1.452   1.224   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.699  -0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.023  -1.224   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.730  -0.798   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.714   0.027   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.008   0.426   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.452  -1.197   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.467  -2.022   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.189  -2.421   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.896  -1.995   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.880  -1.170   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.158  -0.771   0.000  1.00  0.00           C  
HETATM   23 CL   UNL     1       2.143   0.054   0.000  1.00  0.00          Cl  
HETATM   24  F   UNL     1      -5.754   1.968   0.000  1.00  0.00           F  
HETATM   25 CL   UNL     1      -3.619   2.421   0.000  1.00  0.00          Cl  
HETATM   26  F   UNL     1      -4.619   2.284   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1      -5.444   0.855   0.000  1.00  0.00           F  
HETATM   28  C   UNL     1       3.610  -2.408   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.325  -1.995   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.039  -2.408   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       5.754  -1.995   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       4.325  -1.170   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   25                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    3   24   26   27                                       
CONECT    8    6    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   12   16                                            
CONECT   11    9                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   10                                                 
CONECT   17   14   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   28                                            
CONECT   21   20   22                                                 
CONECT   22   21   17   23                                            
CONECT   23   22                                                      
CONECT   24    7                                                      
CONECT   25    2                                                      
CONECT   26    7                                                      
CONECT   27    7                                                      
CONECT   28   20   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30                                                      
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0A8SH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.392  -1.458   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.392  -2.283   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.678  -2.695   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.963  -2.283   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.963  -1.458   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.678  -1.045   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.178  -2.538   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.694  -1.870   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.178  -1.203   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       0.131  -1.870   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.924  -0.418   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.117  -0.246   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.497  -0.799   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.211  -0.386   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.039   0.421   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.219   0.507   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.194   1.222   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.965  -0.722   0.000  1.00  0.00           C  
HETATM   19  F   UNL     1      -4.107  -1.045   0.000  1.00  0.00           F  
HETATM   20  N   UNL     1       1.591   1.034   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.398   0.863   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.950   1.476   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       2.653   0.078   0.000  1.00  0.00           O  
HETATM   24  N   UNL     1       3.771   1.389   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       4.107   2.143   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.493   2.695   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.779   2.283   0.000  1.00  0.00           C  
CONECT    1    2    6   19                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5   11                                            
CONECT   10    8                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16   20                                            
CONECT   16   15   12   17                                            
CONECT   17   16                                                      
CONECT   18   14                                                      
CONECT   19    1                                                      
CONECT   20   15   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   24   27                                            
CONECT   23   21                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0A8SI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.755   0.049   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.930   0.049   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.518  -0.665   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.930  -1.380   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.755  -1.380   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.168  -0.665   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.993  -0.665   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       4.405  -1.380   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       5.230  -1.380   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       5.643  -0.665   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       5.230   0.049   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       4.405   0.049   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       6.468  -0.665   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       6.880   0.049   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       7.705   0.049   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       6.468   0.764   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1       0.693  -0.665   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.335   0.078   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.469   0.262   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.115  -0.253   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.115  -1.078   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.469  -1.592   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.335  -1.408   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       0.849   0.723   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.593   1.078   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.360   1.379   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.006   0.865   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.883   0.049   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.773   1.166   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       0.052   1.592   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -3.418   0.652   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.133   1.064   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.847   0.652   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.562   1.064   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.276   0.652   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.991   1.064   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.705   0.652   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   17                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17    3   18   23                                            
CONECT   18   17   19   24                                            
CONECT   19   18   20   25                                            
CONECT   20   19   21   28                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   17                                                 
CONECT   24   18                                                      
CONECT   25   19   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   20                                                 
CONECT   29   27   31                                                 
CONECT   30   25                                                      
CONECT   31   29   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0A8UJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.715   0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.715   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143   0.000   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143   0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429   1.238   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.858   1.238   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.715   0.000   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.429  -0.412   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.143   0.000   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.143   0.825   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.429   1.238   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.715   0.825   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.000   1.238   0.000  1.00  0.00           O  
HETATM   16  S   UNL     1       2.858   1.238   0.000  1.00  0.00           S  
HETATM   17  O   UNL     1       1.429  -1.238   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1      -2.858  -0.412   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   18                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    2    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11   17                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13    9   15                                            
CONECT   15   14                                                      
CONECT   16   12                                                      
CONECT   17   10                                                      
CONECT   18    4                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D0A8VU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.210   0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.210   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.924  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.639   0.000   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.639   0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.924   1.238   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.505   1.238   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.219   0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.353  -0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.934   1.238   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.648   0.825   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.648   0.000   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.934  -0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.219   0.000   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.363  -0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.160  -0.199   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.373  -0.996   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.576  -1.209   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.067   0.000   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       2.353  -1.238   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       3.821  -0.336   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.373   0.278   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.961   0.992   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.154   0.821   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7   10   14                                            
CONECT    9    4   19   20                                            
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    8                                                 
CONECT   15   12   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   15                                                 
CONECT   19    9   21   24                                            
CONECT   20    9                                                      
CONECT   21   19   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0A9HR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715   0.206   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.715   1.031   0.000  1.00  0.00           N  
HETATM    6  N   UNL     1      -1.429   1.444   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.858  -0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.858  -1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.143  -1.444   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.429  -1.031   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.858   1.444   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1       0.000  -0.206   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.000  -1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.715  -1.444   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.429  -1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.429  -0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.715   0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.143  -1.444   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.858  -1.031   0.000  1.00  0.00           N  
CONECT    1    2    6   11                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4   10                                            
CONECT    4    3    5   12                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    3                                                 
CONECT   11    1                                                      
CONECT   12    4   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   19                                                 
CONECT   19   18                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D0A9KH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.911   1.127   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.087   1.127   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.674   1.841   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.087   2.556   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.911   2.556   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.324   1.841   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.151   1.841   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.564   1.127   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.389   1.127   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       1.801   1.841   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.389   2.556   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.564   2.556   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.626   1.841   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.038   1.127   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.864   1.127   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.276   0.412   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       5.101   0.412   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.324   0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.149   0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.562  -0.302   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.149  -1.016   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.324  -1.016   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.911  -0.302   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.386  -0.302   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.799  -1.016   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.386  -1.731   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.562  -1.731   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.386   0.523   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.101   0.111   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.562  -2.556   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.847  -2.143   0.000  1.00  0.00           C  
CONECT    1    2    6   18                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16                                                      
CONECT   18    1   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22   27                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   20   25   28   29                                       
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   21   30   31                                       
CONECT   28   24                                                      
CONECT   29   24                                                      
CONECT   30   27                                                      
CONECT   31   27                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0A9KU
  -OEChem-09301911232D

 74 78  0     1  0  0  0  0  0999 V2000
    8.5836    0.0302    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    5.1651    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.7260   -5.6651    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3600   -6.0311    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.3600   -4.2990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619    0.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -0.0311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6340    4.6651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660    5.6651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3959   -2.1651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    1.7010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1279   -5.1651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9939   -3.6651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    2.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3959   -0.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5298   -0.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -0.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5298   -1.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -1.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5298    0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619    1.3349    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5298    1.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3959    1.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3959   -3.1651    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5836    1.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1279    1.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    0.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5298   -3.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -3.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    0.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -4.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1279   -3.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9939   -4.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    1.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600   -5.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    3.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    4.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    4.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    6.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    6.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3178   -0.0825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9192   -0.7727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8725   -0.7727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4739   -0.0825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9192   -1.5574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3178   -2.2477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4739   -2.2477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8725   -1.5574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7988    1.0249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7944    2.3099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9973    2.3099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8589   -2.8551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3910    2.2290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4379    1.2980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6648    2.1449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8179    2.3719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2198   -3.1281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9929   -3.9751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8398   -4.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7249   -4.9751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1279   -2.5451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8100    2.2379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9174    1.4889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6077    1.0904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1200    3.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100    4.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8800    3.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5826    6.2431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8923    6.6417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    6.6511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    6.0311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    5.4111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 27  1  0  0  0  0
  2  8  2  0  0  0  0
  2  9  2  0  0  0  0
  2 38  1  0  0  0  0
  2 41  1  0  0  0  0
  3 35  1  0  0  0  0
  4 35  1  0  0  0  0
  5 35  1  0  0  0  0
  6 15  1  0  0  0  0
  6 21  1  0  0  0  0
  7 30  2  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 24  1  0  0  0  0
 11 30  1  0  0  0  0
 11 34  1  0  0  0  0
 11 64  1  0  0  0  0
 12 31  2  0  0  0  0
 12 33  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  2  0  0  0  0
 14 36  2  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 20  1  0  0  0  0
 16 18  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 19  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 26  1  6  0  0  0
 21 51  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 24 28  1  6  0  0  0
 24 29  1  0  0  0  0
 24 54  1  0  0  0  0
 25 27  2  0  0  0  0
 25 55  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
 26 58  1  0  0  0  0
 27 30  1  0  0  0  0
 28 59  1  0  0  0  0
 28 60  1  0  0  0  0
 28 61  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  2  0  0  0  0
 31 62  1  0  0  0  0
 32 63  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 65  1  0  0  0  0
 34 66  1  0  0  0  0
 36 37  1  0  0  0  0
 37 39  2  0  0  0  0
 37 67  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 39 68  1  0  0  0  0
 40 69  1  0  0  0  0
 41 42  1  0  0  0  0
 41 70  1  0  0  0  0
 41 71  1  0  0  0  0
 42 72  1  0  0  0  0
 42 73  1  0  0  0  0
 42 74  1  0  0  0  0
M  END

$$$$
D0A9RY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.906  -1.444   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.906  -2.269   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.192  -2.681   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.477  -2.269   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.477  -1.444   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.192  -1.031   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.691  -1.189   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.176  -1.856   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.691  -2.524   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.001  -1.856   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.413  -1.142   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.001  -0.427   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -5.238  -1.142   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.953  -0.729   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.953  -1.554   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.237  -1.031   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       0.237  -0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.952   0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.952   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.237   1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.477   1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.477   0.206   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.237   2.269   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       1.666   1.444   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       2.380   1.031   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.095   1.444   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       2.380   0.206   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       3.809   1.031   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.524   1.444   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.524   2.269   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.809   2.681   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.095   2.269   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.809   0.206   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       4.524  -0.206   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       4.524  -1.031   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       5.238  -1.444   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       5.953  -1.031   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       5.953  -0.206   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       5.238   0.206   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   16                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14   15                                            
CONECT   14   13   15                                                 
CONECT   15   14   13                                                 
CONECT   16    5   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   20                                                      
CONECT   24   19   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   28   32                                            
CONECT   27   25                                                      
CONECT   28   26   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   26                                                 
CONECT   33   28   34                                                 
CONECT   34   33   35   39                                            
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   34                                                 
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0A9ZW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786   0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072  -0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357   0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072   1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.501  -0.619   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.357   1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.072   0.619   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       0.357   1.856   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.072  -0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.786  -0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.501  -0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.501   0.619   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.786   1.031   0.000  1.00  0.00           C  
HETATM   16  S   UNL     1       3.215   1.031   0.000  1.00  0.00           S  
HETATM   17  O   UNL     1       2.803   1.746   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       3.628   0.317   0.000  1.00  0.00           O  
HETATM   19  N   UNL     1       3.930   1.444   0.000  1.00  0.00           N  
HETATM   20 CL   UNL     1       3.215  -0.619   0.000  1.00  0.00          Cl  
HETATM   21  C   UNL     1      -3.215  -0.206   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.930  -0.619   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.930  -1.444   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.215  -1.856   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.501  -1.444   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2   21   25                                            
CONECT    8    5    9   10                                            
CONECT    9    8   11   15                                            
CONECT   10    8                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   20                                            
CONECT   14   13   15   16                                            
CONECT   15   14    9                                                 
CONECT   16   14   17   18   19                                       
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19   16                                                      
CONECT   20   13                                                      
CONECT   21    7   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24    7                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0AA3P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.610  -0.208   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.610  -1.033   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.895  -1.445   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.181  -1.033   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.181  -0.208   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.895   0.205   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.466  -1.445   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.752  -1.033   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.752  -0.208   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.466   0.205   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.037   0.205   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.037   1.030   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.752   1.442   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.466   1.030   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.748  -0.050   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.232   0.617   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.748   1.285   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.002   2.070   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.450   2.683   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.809   2.241   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.361   1.628   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.049   1.850   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.181   0.617   0.000  1.00  0.00           C  
HETATM   24  H   UNL     1      -2.181  -1.858   0.000  1.00  0.00           H  
HETATM   25  O   UNL     1      -4.324  -1.445   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.466  -2.270   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.037  -1.445   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.752  -2.683   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       4.324   0.633   0.000  1.00  0.00           O  
HETATM   30  S   UNL     1       3.741   1.216   0.000  1.00  0.00           S  
HETATM   31  O   UNL     1       4.324   1.800   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       3.157   0.633   0.000  1.00  0.00           O  
HETATM   33  O   UNL     1       3.157   1.800   0.000  1.00  0.00           O  
HETATM   34 NA   UNL     1       2.360   1.586   0.000  1.00  0.00          Na  
CONECT    1    2    6                                                 
CONECT    2    1    3   25                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7   24                                       
CONECT    5    4    6   10   23                                       
CONECT    6    5    1                                                 
CONECT    7    4    8   26                                            
CONECT    8    7    9   27                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12   15                                            
CONECT   12   11   13   17   22                                       
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   18                                            
CONECT   18   17   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   21                                                 
CONECT   21   20   29                                                 
CONECT   22   12                                                      
CONECT   23    5                                                      
CONECT   24    4                                                      
CONECT   25    2                                                      
CONECT   26    7   28                                                 
CONECT   27    8                                                      
CONECT   28   26                                                      
CONECT   29   21   30                                                 
CONECT   30   29   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30   34                                                 
CONECT   34   33                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0AA7U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.628   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.628  -0.822   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.916  -1.233   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.204  -0.822   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.204   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.916   0.411   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.492   0.411   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.780   0.000   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.780  -0.822   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.068  -1.233   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.356  -0.822   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.356   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.068   0.411   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.356  -1.233   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.068  -0.822   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.780  -1.233   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.492  -0.822   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       3.204  -1.233   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.916  -0.822   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.628  -0.411   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.492   0.000   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.780   0.411   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.780   1.233   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.068   1.644   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.356   1.233   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.356   0.411   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.068   0.000   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.492   1.644   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.492   2.466   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       1.780   2.877   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       1.068   2.466   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1      -0.356   1.644   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       1.780  -2.055   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       1.780  -2.877   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   15   11                                                 
CONECT   15   14   16                                                 
CONECT   16   33   15   17                                            
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19                                                      
CONECT   21   17   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24   28                                            
CONECT   24   23   25   31                                            
CONECT   25   24   26   32                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   23   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   24                                                 
CONECT   32   25                                                      
CONECT   33   34   16                                                 
CONECT   34   33                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END

$$$$

$$$$

$$$$
D0AA9F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.569   0.860   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.314   0.076   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.510   0.076   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.765   0.860   0.000  1.00  0.00           C  
HETATM    5  S   UNL     1       0.098   1.345   0.000  1.00  0.00           S  
HETATM    6 CL   UNL     1      -1.354   1.115   0.000  1.00  0.00          Cl  
HETATM    7  C   UNL     1       1.178  -0.409   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.845   0.076   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.590   0.860   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.670   0.076   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.925   0.860   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.257   1.345   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.799  -0.592   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.619  -0.505   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.104  -1.173   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.925  -1.086   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.464  -1.345   0.000  1.00  0.00           O  
CONECT    1    2    5    6                                            
CONECT    2    1    3   13                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    1                                                 
CONECT    6    1                                                      
CONECT    7    3    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    4   12                                            
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    9                                                 
CONECT   13    2   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15                                                      
CONECT   17   13                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D0AB5X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.072   0.447   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.072  -0.378   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.357  -0.791   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357  -0.378   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357   0.447   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.357   0.859   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.072  -0.791   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.786  -0.378   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.786   0.447   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.072   0.859   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.856  -0.633   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       2.341   0.034   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       1.856   0.702   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.501   0.859   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -3.215   0.447   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.501  -0.791   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.215  -0.378   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       2.070  -1.430   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       0.357  -1.616   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.357  -2.028   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.357  -2.853   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.357  -3.266   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.072  -2.853   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.072  -2.028   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       0.529  -4.073   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       1.349  -4.159   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       1.685  -3.405   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1       0.357   1.684   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       1.072   2.097   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       1.786   1.684   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       2.501   2.097   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.501   2.922   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.786   3.334   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.072   2.922   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1       0.357   3.334   0.000  1.00  0.00           O  
HETATM   36  O   UNL     1       1.786   4.159   0.000  1.00  0.00           O  
HETATM   37  O   UNL     1       3.215   3.334   0.000  1.00  0.00           O  
CONECT    1    2    6   13                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4   19                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   28                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   16                                            
CONECT    9    8   10   14                                            
CONECT   10    9    5                                                 
CONECT   11    2   12   18                                            
CONECT   12   11   13                                                 
CONECT   13   12    1                                                 
CONECT   14    9   15                                                 
CONECT   15   14                                                      
CONECT   16    8   17                                                 
CONECT   17   16                                                      
CONECT   18   11                                                      
CONECT   19    3   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24   27                                            
CONECT   24   23   19                                                 
CONECT   25   22   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   23                                                 
CONECT   28    6   29                                                 
CONECT   29   28   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   37                                            
CONECT   33   32   34   36                                            
CONECT   34   33   29   35                                            
CONECT   35   34                                                      
CONECT   36   33                                                      
CONECT   37   32                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0AC4P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.097   1.931   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.097   1.105   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.383   0.693   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.332   1.105   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.332   1.931   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.383   2.343   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.117   0.851   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.601   1.518   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.117   2.185   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.811   0.693   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.426   1.518   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       1.371   0.066   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.179  -0.106   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       2.731   0.507   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1       2.433  -0.890   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.881  -1.503   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.240  -1.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.074  -1.332   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.522  -1.945   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.777  -2.729   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.584  -2.901   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.136  -2.288   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.526   1.105   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.240   0.693   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.240  -0.132   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.526  -0.544   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.811  -0.132   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.527   2.901   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9   11                                            
CONECT    9    8    5   28                                            
CONECT   10    2   23   27                                            
CONECT   11    8                                                      
CONECT   12    7   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   16   17                                            
CONECT   16   15   18   22                                            
CONECT   17   15                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   16                                                 
CONECT   23   10   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   10                                                 
CONECT   28    9                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0AC8H
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.739   4.001   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.024   4.413   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.310   4.001   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.595   4.413   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.881   4.001   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.166   4.413   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.452   4.001   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.737   4.413   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -3.595   5.238   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1      -1.452   3.176   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.166   5.238   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.452   5.651   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.881   5.651   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.310   3.176   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.016   4.078   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.568   4.691   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.156   5.405   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.651   5.234   0.000  1.00  0.00           C  
HETATM   19 XX   UNL     1       0.230   3.281   0.000  1.00  0.00          Xx  
HETATM   20  C   UNL     1      -0.354   2.698   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.140   1.901   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       0.657   1.687   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.240   2.271   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.027   3.067   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.037   2.057   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       2.333   1.287   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.157   1.330   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.370   2.127   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.678   2.576   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.105   2.501   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.148   3.325   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.457   3.775   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.721   3.400   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.797   2.052   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1       4.754   1.228   0.000  1.00  0.00           N  
HETATM   36  O   UNL     1       5.532   2.427   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1       5.446   0.779   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.160  -2.732   0.000  1.00  0.00           C  
HETATM   39  N   UNL     1      -5.581  -3.319   0.000  1.00  0.00           N  
HETATM   40  C   UNL     1      -4.783  -3.111   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.203  -3.699   0.000  1.00  0.00           C  
HETATM   42  N   UNL     1      -3.405  -3.491   0.000  1.00  0.00           N  
HETATM   43  C   UNL     1      -2.826  -4.078   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.027  -3.870   0.000  1.00  0.00           C  
HETATM   45  N   UNL     1      -1.448  -4.457   0.000  1.00  0.00           N  
HETATM   46  O   UNL     1      -4.422  -4.494   0.000  1.00  0.00           O  
HETATM   47  O   UNL     1      -1.808  -3.075   0.000  1.00  0.00           O  
HETATM   48  C   UNL     1      -3.045  -4.873   0.000  1.00  0.00           C  
HETATM   49  C   UNL     1      -2.465  -5.461   0.000  1.00  0.00           C  
HETATM   50  C   UNL     1      -3.843  -5.082   0.000  1.00  0.00           C  
HETATM   51  C   UNL     1      -4.564  -2.316   0.000  1.00  0.00           C  
HETATM   52  C   UNL     1      -0.632  -4.334   0.000  1.00  0.00           C  
HETATM   53  C   UNL     1      -0.263  -5.072   0.000  1.00  0.00           C  
HETATM   54  C   UNL     1      -0.850  -5.651   0.000  1.00  0.00           C  
HETATM   55  C   UNL     1      -1.583  -5.271   0.000  1.00  0.00           C  
HETATM   56  C   UNL     1      -0.215  -3.622   0.000  1.00  0.00           C  
HETATM   57  C   UNL     1      -0.622  -2.905   0.000  1.00  0.00           C  
HETATM   58  N   UNL     1      -0.205  -2.193   0.000  1.00  0.00           N  
HETATM   59  C   UNL     1       0.620  -2.199   0.000  1.00  0.00           C  
HETATM   60  C   UNL     1       1.028  -2.916   0.000  1.00  0.00           C  
HETATM   61  C   UNL     1       0.610  -3.628   0.000  1.00  0.00           C  
HETATM   62  N   UNL     1       1.853  -2.922   0.000  1.00  0.00           N  
HETATM   63  C   UNL     1       2.342  -2.258   0.000  1.00  0.00           C  
HETATM   64  C   UNL     1       3.125  -2.518   0.000  1.00  0.00           C  
HETATM   65  C   UNL     1       3.119  -3.343   0.000  1.00  0.00           C  
HETATM   66  C   UNL     1       2.333  -3.593   0.000  1.00  0.00           C  
HETATM   67  C   UNL     1       3.728  -3.900   0.000  1.00  0.00           C  
HETATM   68  C   UNL     1       3.551  -4.705   0.000  1.00  0.00           C  
HETATM   69  C   UNL     1       2.765  -4.955   0.000  1.00  0.00           C  
HETATM   70  C   UNL     1       2.156  -4.399   0.000  1.00  0.00           C  
HETATM   71  C   UNL     1       4.515  -3.650   0.000  1.00  0.00           C  
HETATM   72  N   UNL     1       4.692  -2.844   0.000  1.00  0.00           N  
HETATM   73  O   UNL     1       5.124  -4.206   0.000  1.00  0.00           O  
HETATM   74  C   UNL     1       5.446  -0.046   0.000  1.00  0.00           C  
HETATM   75  C   UNL     1       4.731  -0.459   0.000  1.00  0.00           C  
HETATM   76  C   UNL     1       4.731  -1.284   0.000  1.00  0.00           C  
HETATM   77  C   UNL     1       5.446  -1.696   0.000  1.00  0.00           C  
HETATM   78  C   UNL     1       6.160  -1.284   0.000  1.00  0.00           C  
HETATM   79  C   UNL     1       6.160  -0.459   0.000  1.00  0.00           C  
HETATM   80  C   UNL     1       5.446  -2.521   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4   14                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    7   11                                            
CONECT    7    6    8   10                                            
CONECT    8    7   15   18                                            
CONECT    9    4                                                      
CONECT   10    7                                                      
CONECT   11    6   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14    3                                                      
CONECT   15    8   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17    8                                                 
CONECT   19   15   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   19                                                 
CONECT   25   23   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28   25   33                                            
CONECT   30   28   31   34                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   29                                                 
CONECT   34   30   35   36                                            
CONECT   35   34   37                                                 
CONECT   36   34                                                      
CONECT   37   35   74                                                 
CONECT   38   39                                                      
CONECT   39   38   40                                                 
CONECT   40   39   41   51                                            
CONECT   41   40   42   46                                            
CONECT   42   41   43                                                 
CONECT   43   42   44   48                                            
CONECT   44   43   45   47                                            
CONECT   45   44   52   55                                            
CONECT   46   41                                                      
CONECT   47   44                                                      
CONECT   48   43   49   50                                            
CONECT   49   48                                                      
CONECT   50   48                                                      
CONECT   51   40                                                      
CONECT   52   45   53   56                                            
CONECT   53   52   54                                                 
CONECT   54   53   55                                                 
CONECT   55   54   45                                                 
CONECT   56   52   57   61                                            
CONECT   57   56   58                                                 
CONECT   58   57   59                                                 
CONECT   59   58   60                                                 
CONECT   60   59   61   62                                            
CONECT   61   60   56                                                 
CONECT   62   60   63   66                                            
CONECT   63   62   64                                                 
CONECT   64   63   65                                                 
CONECT   65   64   66   67                                            
CONECT   66   65   62   70                                            
CONECT   67   65   68   71                                            
CONECT   68   67   69                                                 
CONECT   69   68   70                                                 
CONECT   70   69   66                                                 
CONECT   71   67   72   73                                            
CONECT   72   71   80                                                 
CONECT   73   71                                                      
CONECT   74   37   75   79                                            
CONECT   75   74   76                                                 
CONECT   76   75   77                                                 
CONECT   77   76   78   80                                            
CONECT   78   77   79                                                 
CONECT   79   78   74                                                 
CONECT   80   77   72                                                 
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
M  END

$$$$
D0AE0M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572  -1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572  -2.475   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.858  -2.888   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.143  -2.475   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.143  -1.650   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.858  -1.238   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.429  -2.888   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.714  -2.475   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.000  -2.888   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.714  -2.475   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.714  -1.650   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.000  -1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.714  -1.650   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.429  -1.238   0.000  1.00  0.00           N  
HETATM   15  N   UNL     1      -2.858  -0.412   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       2.143  -1.650   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.858  -1.238   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.858  -0.412   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.143   0.000   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.429  -0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.572   0.000   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       1.429  -2.888   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       2.143  -2.475   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.143   0.000   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.714   0.000   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.714   0.825   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.429   1.238   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.143   0.825   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.429   2.062   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.714   2.475   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.841   2.777   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.254   2.062   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       0.000   2.888   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   15                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   22                                            
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   16   20                                            
CONECT   15    6   24                                                 
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   14                                                 
CONECT   21   18                                                      
CONECT   22   10   23                                                 
CONECT   23   22                                                      
CONECT   24   15   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28   24                                                 
CONECT   30   28   31   32   33                                       
CONECT   31   30   34                                                 
CONECT   32   30   33                                                 
CONECT   33   32   30                                                 
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0AE5G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858   0.825   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.858   1.650   0.000  1.00  0.00           N  
HETATM    6  N   UNL     1      -3.572   2.062   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -5.001   0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.001  -0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.287  -0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.572  -0.412   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -5.001   2.062   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.143  -0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.429  -0.825   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.715  -0.412   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.715   0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.000  -0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.715  -0.412   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       0.715   0.412   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       1.429  -0.825   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       2.143  -0.412   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       2.858  -0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.858  -1.650   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.572  -2.062   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.287  -1.650   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.287  -0.825   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.572  -0.412   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1       5.001  -2.062   0.000  1.00  0.00           F  
CONECT    1    2    6   11                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4   10                                            
CONECT    4    3    5   12                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    3                                                 
CONECT   11    1                                                      
CONECT   12    4   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19                                                      
CONECT   21   19   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0AE6Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.069   1.399   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.069   0.574   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.424   0.059   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.380   0.243   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.738   0.986   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.380   1.730   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.424   1.913   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.784   1.811   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.498   1.399   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.498   0.574   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.784   0.161   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.608  -0.745   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.396  -0.988   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.580  -1.792   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.975  -2.354   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.187  -2.110   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.003  -1.306   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -1.159  -3.158   0.000  1.00  0.00          Cl  
HETATM   19  O   UNL     1      -3.213   0.161   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.213  -0.664   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.803   2.438   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1       0.260   3.059   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.498   2.735   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.207   3.158   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.563   0.986   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.975   1.701   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       1.563   2.415   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1       2.800   1.701   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       3.213   0.986   0.000  1.00  0.00           C  
HETATM   30  H   UNL     1       1.321   0.403   0.000  1.00  0.00           H  
HETATM   31  C   UNL     1       2.277   0.574   0.000  1.00  0.00           C  
CONECT    1    2    7    8                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4   12                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   25   30                                       
CONECT    6    5    7   21                                            
CONECT    7    6    1   23                                            
CONECT    8    1    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   19                                            
CONECT   11   10    2                                                 
CONECT   12    3   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15                                                      
CONECT   19   10   20                                                 
CONECT   20   19                                                      
CONECT   21    6   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22    7   24                                            
CONECT   24   23                                                      
CONECT   25    5   26   31                                            
CONECT   26   25   27   28                                            
CONECT   27   26                                                      
CONECT   28   26   29                                                 
CONECT   29   28                                                      
CONECT   30    5                                                      
CONECT   31   25                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0AE8D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.642   0.715   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.642  -0.111   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.927  -0.523   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.213  -0.111   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.213   0.715   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.927   1.127   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.428  -0.365   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.057   0.302   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1      -0.428   0.969   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1       0.881   0.302   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.294  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.119  -0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.531   0.302   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.119   1.016   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.294   1.016   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       3.357   0.302   0.000  1.00  0.00           O  
HETATM   17 CL   UNL     1      -3.357  -0.523   0.000  1.00  0.00          Cl  
HETATM   18  O   UNL     1       2.531  -1.127   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   17                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   18                                            
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13                                                      
CONECT   17    2                                                      
CONECT   18   12                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D0AF0O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143  -0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -1.856   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715  -0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429  -0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429   0.619   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.715   1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.715   1.856   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.429   2.269   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.143   1.856   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.143   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.000  -0.206   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.715  -0.619   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.429  -0.206   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.000   0.619   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.429   0.619   0.000  1.00  0.00           C  
HETATM   18 BR   UNL     1      -1.429   3.094   0.000  1.00  0.00          Br  
HETATM   19  C   UNL     1       2.143   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.143   1.856   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       1.429   2.269   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       0.715   1.856   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.715   1.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.143  -0.619   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.858  -1.856   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.572  -1.444   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.287  -1.856   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.287  -2.681   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.572  -3.094   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.858  -2.681   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.143  -1.444   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.858  -1.856   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.572  -1.444   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.572  -0.619   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.858  -0.206   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1       2.858   2.269   0.000  1.00  0.00           F  
HETATM   37 CL   UNL     1       4.287  -1.856   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3   25                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   13                                            
CONECT    6    5    1    7                                            
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   18                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    5   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   17   24                                            
CONECT   16   13                                                      
CONECT   17   15   19   23                                            
CONECT   18   10                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21   36                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   17                                                 
CONECT   24   15   31   35                                            
CONECT   25    2   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   24   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   37                                            
CONECT   34   33   35                                                 
CONECT   35   34   24                                                 
CONECT   36   20                                                      
CONECT   37   33                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0AF4A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.079   1.031   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.079   0.206   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.364  -0.206   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.650   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.650   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.364   1.444   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.135  -0.049   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.620   0.619   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.135   1.286   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -1.364   2.269   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1      -2.793  -0.206   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.793   1.444   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.364  -1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.508   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.222   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.079  -1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.079  -2.269   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.034   0.100   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.411   1.949   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.395   0.671   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.335   0.999   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.791   0.240   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.880   1.352   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.007   0.543   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.573  -0.024   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.445   0.619   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.938   1.054   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.222  -0.506   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.455   2.131   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4   13                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   26                                            
CONECT    9    8    5                                                 
CONECT   10    6                                                      
CONECT   11    2                                                      
CONECT   12    1   14                                                 
CONECT   13    3   16                                                 
CONECT   14   12   15                                                 
CONECT   15   14                                                      
CONECT   16   13   17                                                 
CONECT   17   16                                                      
CONECT   18   22   26                                                 
CONECT   19   21   29                                                 
CONECT   20   21   27                                                 
CONECT   21   19   20   24                                            
CONECT   22   18   23   25                                            
CONECT   23   22   29                                                 
CONECT   24   21   28                                                 
CONECT   25   22   28                                                 
CONECT   26    8   18   27                                            
CONECT   27   20   26   29                                            
CONECT   28   25   24                                                 
CONECT   29   19   23   27                                            
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0AF7J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.148   0.240   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.148  -0.585   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.433  -0.997   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.719  -0.585   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.719   0.240   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.433   0.653   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.004   0.653   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.710   0.240   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -0.004   1.478   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.425   0.653   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.139   0.240   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.853   0.653   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.853   1.478   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.139   1.890   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.425   1.478   0.000  1.00  0.00           C  
HETATM   16  F   UNL     1       3.568   1.890   0.000  1.00  0.00           F  
HETATM   17 CL   UNL     1       3.568   0.240   0.000  1.00  0.00          Cl  
HETATM   18  N   UNL     1      -2.761  -1.137   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1      -2.425  -1.890   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.605  -1.804   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.568  -0.965   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4   20                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13                                                      
CONECT   17   12                                                      
CONECT   18    2   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19    3                                                 
CONECT   21   18                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0AG2A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.710   2.005   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.004   2.417   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.719   2.005   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.433   2.417   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1       0.004   3.242   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1       2.147   2.005   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.862   2.417   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.862   3.242   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.147   3.655   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.433   3.242   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       3.576   3.655   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.425   2.417   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.139   2.005   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.139   1.180   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.425   0.767   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.710   1.180   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.854   0.767   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.854  -0.058   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.568  -0.470   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.568  -1.295   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.854  -1.708   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.139  -1.295   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.139  -0.470   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.283  -0.058   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.283   0.767   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1      -4.997  -0.470   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.854  -2.533   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.521  -3.018   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.266  -3.803   0.000  1.00  0.00           N  
HETATM   30  N   UNL     1      -2.441  -3.803   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.186  -3.018   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.956  -4.470   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1      -1.425  -0.058   0.000  1.00  0.00           F  
HETATM   34  H   UNL     1      -1.744   1.864   0.000  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.201   1.602   0.000  1.00  0.00           H  
HETATM   36  C   UNL     1       4.288   3.242   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1       3.579   2.014   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1       3.060   3.951   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1       4.997   4.470   0.000  1.00  0.00           F  
CONECT    1    2   12   16                                            
CONECT    2    1    3    5                                            
CONECT    3    2    4                                                 
CONECT    4    3    6   10                                            
CONECT    5    2                                                      
CONECT    6    4    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    8   36                                                 
CONECT   12    1   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17   34                                       
CONECT   15   14   16   33   35                                       
CONECT   16   15    1                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   27                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   19   25   26                                            
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   21   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30   27                                                 
CONECT   32   30                                                      
CONECT   33   15                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   37   38   39   11                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   36                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END

$$$$

$$$$
D0AH1A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.715   2.475   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.715   1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.000   1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.715   1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.715   2.475   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.000   2.888   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.429   2.888   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.429   1.238   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.429   1.238   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       2.143   1.650   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.858   1.238   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       2.143   2.475   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       2.858   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.572   0.000   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.287   0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.287   1.238   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.572   1.650   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1       3.572   2.475   0.000  1.00  0.00          Cl  
HETATM   19  C   UNL     1       3.572  -0.825   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       4.287  -1.238   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       4.287  -2.062   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       5.001  -2.475   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.429   0.412   0.000  1.00  0.00           O  
HETATM   24  N   UNL     1      -2.143   1.650   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.858   1.238   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.572   1.650   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.287   1.238   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.287   0.412   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.572   0.000   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.858   0.412   0.000  1.00  0.00           C  
HETATM   31 BR   UNL     1      -5.001   0.000   0.000  1.00  0.00          Br  
HETATM   32  C   UNL     1      -1.429   3.712   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.572  -2.475   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.858  -2.062   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.143  -2.475   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.143  -3.300   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       2.858  -3.712   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       3.572  -3.300   0.000  1.00  0.00           C  
HETATM   39 CL   UNL     1       2.858  -1.238   0.000  1.00  0.00          Cl  
HETATM   40  F   UNL     1       4.287  -3.712   0.000  1.00  0.00           F  
HETATM   41  F   UNL     1       1.429  -2.062   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1   32                                                 
CONECT    8    2   23   24                                            
CONECT    9    4   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10   13   17                                            
CONECT   12   10                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   11   18                                            
CONECT   18   17                                                      
CONECT   19   14   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   33                                            
CONECT   22   21                                                      
CONECT   23    8                                                      
CONECT   24    8   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   28                                                      
CONECT   32    7                                                      
CONECT   33   21   34   38                                            
CONECT   34   33   35   39                                            
CONECT   35   34   36   41                                            
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   33   40                                            
CONECT   39   34                                                      
CONECT   40   38                                                      
CONECT   41   35                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D0AH3R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.897   0.416   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.694   0.202   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.907  -0.595   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.324  -1.178   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.527  -0.965   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.313  -0.168   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.578   0.207   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.707   1.022   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.522   1.151   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.124   1.605   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.673   1.392   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.886   0.595   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.683   0.381   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       2.267   0.965   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       2.053   1.761   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.256   1.975   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.063   0.751   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.277  -0.046   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.694  -0.629   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.907  -1.426   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.704  -1.640   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.287  -1.056   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.074  -0.259   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.704  -0.808   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.287  -0.225   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.537  -1.975   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.334  -2.188   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.897   1.886   0.000  1.00  0.00           O  
HETATM   29  F   UNL     1       0.459   2.188   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -0.962   1.806   0.000  1.00  0.00           F  
CONECT    1    2    6    9                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   24                                            
CONECT    4    3    5   26                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   10   30                                       
CONECT    9    8    1   28                                            
CONECT   10    8   11                                                 
CONECT   11   10   12   16   29                                       
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24    3   25                                                 
CONECT   25   24                                                      
CONECT   26    4   27                                                 
CONECT   27   26                                                      
CONECT   28    9                                                      
CONECT   29   11                                                      
CONECT   30    8                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0AH8N
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.644   0.740   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930   1.152   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215   0.740   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501   1.152   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.786   0.740   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072   1.152   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.357   0.740   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.357   1.152   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.072   0.740   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       1.786   1.152   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       2.501   0.740   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.644  -0.085   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.930  -0.498   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.215  -0.085   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.501  -0.498   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.501  -1.323   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.786  -1.735   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.072  -1.323   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.072  -0.498   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.786  -0.085   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       2.501  -0.085   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       3.215   1.152   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.930   0.740   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       3.930  -0.085   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1       4.644   1.152   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       2.632   1.735   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.799   1.735   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       4.644  -0.498   0.000  1.00  0.00           O  
CONECT    1    2   12                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   21   22                                            
CONECT   12    1   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   11                                                      
CONECT   22   11   23   26   27                                       
CONECT   23   22   24   25                                            
CONECT   24   23   28                                                 
CONECT   25   23                                                      
CONECT   26   22   27                                                 
CONECT   27   22   26                                                 
CONECT   28   24                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0AH9P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.244  -1.090   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.244  -1.915   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.959  -2.328   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.673  -1.915   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.673  -1.090   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.959  -0.678   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.401  -0.576   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.205  -0.760   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.563  -1.503   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.205  -2.246   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.401  -2.430   0.000  1.00  0.00           O  
HETATM   12  H   UNL     1      -1.617  -2.961   0.000  1.00  0.00           H  
HETATM   13  O   UNL     1      -2.388  -1.503   0.000  1.00  0.00           O  
HETATM   14  H   UNL     1       0.959   0.147   0.000  1.00  0.00           H  
HETATM   15  H   UNL     1       2.388  -2.328   0.000  1.00  0.00           H  
HETATM   16  C   UNL     1      -0.327   0.246   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.085   0.570   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.628  -0.051   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.299   1.367   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.715   1.950   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.929   2.747   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.726   2.961   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.309   2.377   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.096   1.580   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   15                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   14                                            
CONECT    7    1    8   16                                            
CONECT    8    7    9   18                                            
CONECT    9    8   10   13                                            
CONECT   10    9   11   12                                            
CONECT   11   10    2                                                 
CONECT   12   10                                                      
CONECT   13    9                                                      
CONECT   14    6                                                      
CONECT   15    4                                                      
CONECT   16    7   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17    8                                                 
CONECT   19   17   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0AI1I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.541   2.147   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.541   1.322   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.827   0.909   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.112   1.322   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.112   2.147   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.827   2.559   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.256   0.909   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.970   1.322   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.684   0.909   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.684   0.084   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1      -2.970  -0.328   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.256   0.084   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.541  -0.328   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.602   2.559   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.602   0.909   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.317   1.322   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.071   0.986   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       2.623   1.599   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.210   2.314   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1       1.403   2.142   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.325   0.201   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.132   0.030   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       3.684   0.643   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       3.429   1.428   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.742  -0.382   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.945  -0.168   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.362  -0.752   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.575  -1.549   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.372  -1.762   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.956  -1.179   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       1.586  -2.559   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   15                                            
CONECT    5    4    6   14                                            
CONECT    6    5    1                                                 
CONECT    7    2    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7   13                                            
CONECT   13   12                                                      
CONECT   14    5                                                      
CONECT   15    4   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18   21                                            
CONECT   18   17   19   24                                            
CONECT   19   18   20                                                 
CONECT   20   19   16                                                 
CONECT   21   17   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
CONECT   25   21   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29   25                                                 
CONECT   31   29                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0AI6J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.562   1.087   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.562   0.262   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.152  -0.151   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.867   0.262   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.867   1.087   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.152   1.499   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.581   1.499   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.406   1.499   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       2.818   0.784   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.994   2.213   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.277  -0.151   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.991   0.262   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.706  -0.151   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.706  -0.976   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.991  -1.389   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.277  -0.976   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.994  -2.213   0.000  1.00  0.00           C  
HETATM   18  F   UNL     1      -2.818  -2.213   0.000  1.00  0.00           F  
HETATM   19  F   UNL     1      -1.994  -1.389   0.000  1.00  0.00           F  
HETATM   20  F   UNL     1      -1.169  -2.213   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   10                                            
CONECT    8    7    9   10                                            
CONECT    9    8                                                      
CONECT   10    8    7                                                 
CONECT   11    2   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   11                                                 
CONECT   17   15   18   19   20                                       
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20   17                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END

$$$$

$$$$

$$$$
D0AI8S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.079   0.610   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.866  -0.187   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.042  -0.231   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.254   0.540   0.000  1.00  0.00           C  
HETATM    5  S   UNL     1      -0.387   1.059   0.000  1.00  0.00           S  
HETATM    6  C   UNL     1       0.376  -0.942   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.193  -1.059   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.794  -0.493   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.726   0.329   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.041   0.789   0.000  1.00  0.00           C  
HETATM   11 BR   UNL     1      -1.794   1.022   0.000  1.00  0.00          Br  
CONECT    1    2    5   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5   10                                            
CONECT    5    4    1                                                 
CONECT    6    3    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    1                                                      
MASTER        0    0    0    0    0    0    0    0   11    0   11    0
END
M  END

$$$$
D0AJ0O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.126   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.641  -0.667   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.144  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.144   0.412   0.000  1.00  0.00           C  
HETATM    5  S   UNL     1      -0.641   0.667   0.000  1.00  0.00           S  
HETATM    6  C   UNL     1       0.788  -0.927   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.593  -0.743   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.950   0.000   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.593   0.743   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.788   0.927   0.000  1.00  0.00           C  
HETATM   11 BR   UNL     1      -1.950   0.000   0.000  1.00  0.00          Br  
CONECT    1    2    5   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5   10                                            
CONECT    5    4    1                                                 
CONECT    6    3    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    1                                                      
MASTER        0    0    0    0    0    0    0    0   11    0   11    0
END
M  END

$$$$
D0AJ2T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.214  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.214  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.500  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.785  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.785  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.500  -0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.071  -2.062   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.356  -1.650   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.356  -0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.071  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.358  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.358   0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.356   0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.071   0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.073  -0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.787  -0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.787   0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.073   0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.502   0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.502   1.650   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.787   2.062   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.073   1.650   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.929  -2.062   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.785   0.000   0.000  1.00  0.00           C  
HETATM   25  H   UNL     1      -1.785  -2.475   0.000  1.00  0.00           H  
HETATM   26  O   UNL     1      -0.356   1.650   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.356   0.000   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.358  -1.238   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.502   0.000   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       3.216   0.412   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       1.574   2.859   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.001   2.859   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.713  -2.859   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.286  -2.859   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.930   0.000   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1       2.502  -0.825   0.000  1.00  0.00           O  
HETATM   37  O   UNL     1       0.358   1.238   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1      -3.930  -0.412   0.000  1.00  0.00           C  
HETATM   39  N   UNL     1      -1.493  -0.412   0.000  1.00  0.00           N  
CONECT    1    2    6   38                                            
CONECT    2    1    3   23                                            
CONECT    3    2    4   33   34                                       
CONECT    4    3    5    7   25                                       
CONECT    5    4    6   10   24                                       
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11   27                                       
CONECT   10    9    5   14                                            
CONECT   11    9   12   15   28                                       
CONECT   12   11   13   18   37                                       
CONECT   13   12   14   26                                            
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19   29                                       
CONECT   18   17   12   22                                            
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   31   32                                       
CONECT   22   21   18                                                 
CONECT   23    2                                                      
CONECT   24    5                                                      
CONECT   25    4                                                      
CONECT   26   13                                                      
CONECT   27    9                                                      
CONECT   28   11                                                      
CONECT   29   17   30   36                                            
CONECT   30   29   35                                                 
CONECT   31   21                                                      
CONECT   32   21                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35   30                                                      
CONECT   36   29                                                      
CONECT   37   12                                                      
CONECT   38   39    1                                                 
CONECT   39   38                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0AJ3F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.619   0.317   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.619  -0.508   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.834  -0.763   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.349  -0.096   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.834   0.572   0.000  1.00  0.00           N  
HETATM    6  O   UNL     1      -3.286   0.802   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.286  -0.993   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.040  -0.657   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.707  -1.142   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.621  -1.963   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.867  -2.298   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.200  -1.813   0.000  1.00  0.00           C  
HETATM   13  F   UNL     1      -3.781  -3.119   0.000  1.00  0.00           F  
HETATM   14  C   UNL     1      -0.936  -0.810   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.112  -0.810   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.301  -0.096   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.112   0.619   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.936   0.619   0.000  1.00  0.00           C  
HETATM   19 SI   UNL     1       1.126  -0.096   0.000  1.00  0.00          Si  
HETATM   20  C   UNL     1       1.538   0.619   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.538  -0.810   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.951  -0.096   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.620   1.369   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.824   1.582   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.240   0.999   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.557   1.212   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.770   2.009   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.187   2.593   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.610   2.379   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.567   2.223   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       2.151   1.639   0.000  1.00  0.00           N  
HETATM   32  O   UNL     1       1.781   3.020   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       2.947   1.853   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.531   1.270   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.204   1.952   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.001   1.739   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.584   2.322   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.381   2.108   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.370   3.119   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.167   2.905   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       4.295   1.462   0.000  1.00  0.00           C  
HETATM   42  O   UNL     1       4.707   2.176   0.000  1.00  0.00           O  
HETATM   43  O   UNL     1       4.707   0.747   0.000  1.00  0.00           O  
CONECT    1    2    5    6                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   14   18                                       
CONECT    5    4    1   23                                            
CONECT    6    1                                                      
CONECT    7    2    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11    7                                                 
CONECT   13   11                                                      
CONECT   14    4   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17    4                                                 
CONECT   19   16   20   21   22                                       
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   19                                                      
CONECT   23    5   24   35                                            
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27   31   32                                            
CONECT   31   30   33                                                 
CONECT   32   30                                                      
CONECT   33   31   34                                                 
CONECT   34   33   41                                                 
CONECT   35   23   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38   39   40                                       
CONECT   38   37                                                      
CONECT   39   37                                                      
CONECT   40   37                                                      
CONECT   41   34   42   43                                            
CONECT   42   41                                                      
CONECT   43   41                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
M  END

$$$$
D0AJ5T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.094   0.756   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.380   0.344   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.380  -0.481   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.335  -0.893   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.049  -0.481   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.049   0.344   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.335   0.756   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.834  -0.736   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.318  -0.069   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.834   0.599   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.088  -1.520   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.181   1.577   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.988   1.748   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.400   1.034   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.848   0.421   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.221   0.948   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.556   0.194   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1      -3.706   1.615   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       3.706  -1.748   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.913  -1.520   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.628  -1.108   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.087   1.384   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.894   1.555   0.000  1.00  0.00           N  
CONECT    1    2   12   15                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    7   10                                            
CONECT    7    6    2                                                 
CONECT    8    5    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    6   22                                            
CONECT   11    8   20                                                 
CONECT   12    1   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14    1                                                 
CONECT   16   14   17   18                                            
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19   20   21                                                 
CONECT   20   11   19   21                                            
CONECT   21   19   20                                                 
CONECT   22   10   23                                                 
CONECT   23   22                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0AK4X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.548  -0.303   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.723  -0.303   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.311   0.411   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.723   1.126   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.548   1.126   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.961   0.411   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.486   0.411   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.000  -0.256   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.216   0.000   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.216   0.825   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.001   1.079   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.499  -0.412   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.213   0.000   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.213   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.499   1.238   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.928  -0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.642   0.000   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.357  -0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.071   0.000   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.071   0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.357   1.238   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.642   0.825   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.928  -1.238   0.000  1.00  0.00           O  
HETATM   24 CL   UNL     1       4.786  -0.412   0.000  1.00  0.00          Cl  
HETATM   25  F   UNL     1      -4.786   0.411   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   25                                            
CONECT    7    3    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11   15                                            
CONECT   11   10    7                                                 
CONECT   12    9   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   23                                            
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   16                                                      
CONECT   24   19                                                      
CONECT   25    6                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0AK5Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.523  -0.733   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.523  -1.558   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.808  -1.971   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.094  -1.558   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.094  -0.733   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.808  -0.321   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.307  -0.478   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.792  -1.146   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.307  -1.813   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.691  -1.813   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.176  -1.146   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.691  -0.478   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.946   0.307   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       0.394   0.920   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1       1.753   0.478   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1       2.001  -1.146   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       0.946  -2.598   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.008   1.263   0.000  1.00  0.00           C  
HETATM   19  S   UNL     1       2.792   1.518   0.000  1.00  0.00           S  
HETATM   20  C   UNL     1       2.792   2.343   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.008   2.598   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1       1.523   1.930   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    6   12                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    4   11   17                                            
CONECT   11   10   12   16                                            
CONECT   12   11    5   13                                            
CONECT   13   12   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   18                                                 
CONECT   16   11                                                      
CONECT   17   10                                                      
CONECT   18   15   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   18                                                 
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0AK6L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.644   0.041   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.644  -0.784   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.930  -1.196   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.215  -0.784   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.215   0.041   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.930   0.454   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.501   0.454   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.786   0.041   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.072   0.454   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.072   1.279   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.786   1.691   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.501   1.279   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.357   0.041   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.357   0.454   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1      -0.357  -0.784   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.072   0.041   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.786   0.454   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.501   0.041   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.215   0.454   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.215   1.279   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.501   1.691   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.786   1.279   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.930   1.691   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       4.644   1.279   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1       3.930   2.516   0.000  1.00  0.00           N  
HETATM   26  S   UNL     1      -2.501  -1.196   0.000  1.00  0.00           S  
HETATM   27  O   UNL     1      -1.917  -0.613   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1      -2.913  -1.911   0.000  1.00  0.00           O  
HETATM   29  N   UNL     1      -1.846  -1.698   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -1.084  -1.383   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.954  -2.516   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   26                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    9   14   15                                            
CONECT   14   13   16                                                 
CONECT   15   13                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   20   24   25                                            
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26    4   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26   30   31                                            
CONECT   30   29                                                      
CONECT   31   29                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0AK7K
  -OEChem-09301911252D

 52 55  0     0  0  0  0  0  0999 V2000
    3.3660   -4.6688    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.3028    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -2.9368    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    0.7360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071   -0.2150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891   -0.2150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8669    3.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9714    4.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6759    2.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2791    2.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8850    4.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5895    3.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6940    4.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8724    3.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6859    1.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4656    4.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2846    2.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    0.7360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4711    4.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2901    2.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8833    3.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8214    4.8637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3530    4.2189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2299    2.2491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0226    2.1658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8484    2.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7651    2.1119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3310    5.0995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5383    5.1829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7395    2.4850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2080    3.1298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2900    3.9102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9658    4.6383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1166    1.0990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1999    1.8917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8301    4.7873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5368    1.9967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2190    4.9566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9256    2.1660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    3.6460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.9928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.9928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.6128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.4228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 29  1  0  0  0  0
  3 29  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  5 18  2  0  0  0  0
  5 22  1  0  0  0  0
  6 22  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 14  1  0  0  0  0
  8 11  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 12  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 15  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 13  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 19  1  0  0  0  0
 16 44  1  0  0  0  0
 17 20  2  0  0  0  0
 17 45  1  0  0  0  0
 19 21  2  0  0  0  0
 19 46  1  0  0  0  0
 20 21  1  0  0  0  0
 20 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 49  1  0  0  0  0
 25 27  2  0  0  0  0
 25 50  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 27 28  1  0  0  0  0
 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
M  END

$$$$
D0AL3I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.265   0.013   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.440   0.009   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.027   0.723   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.798   0.723   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.053   1.508   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.385   1.993   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.282   1.508   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.210   0.009   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.035   0.009   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.448  -0.706   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.448   0.723   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.749   0.681   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.534   0.427   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.534  -0.398   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1      -1.749  -0.654   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1      -3.248   0.839   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.963   0.427   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.963  -0.398   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.248  -0.811   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1      -4.677  -0.811   0.000  1.00  0.00           F  
HETATM   21  C   UNL     1       2.035  -1.420   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.448  -2.135   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.273  -2.135   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.685  -1.420   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.273  -0.706   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.685   0.009   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       4.506   0.095   0.000  1.00  0.00           O  
HETATM   28  N   UNL     1       4.677   0.902   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       3.963   1.314   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       3.350   0.762   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       3.877   2.135   0.000  1.00  0.00           C  
CONECT    1    2   12   15                                            
CONECT    2    1    3                                                 
CONECT    3    4    7    2                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    3                                                 
CONECT    8    9    4                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   21   25                                            
CONECT   11    9                                                      
CONECT   12    1   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   19                                            
CONECT   15   14    1                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   14                                                 
CONECT   20   18                                                      
CONECT   21   10   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   10   26                                            
CONECT   26   25   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29   26                                                 
CONECT   31   29                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0AM1D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.715   0.000   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.715  -0.825   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.000  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.715  -0.825   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.715   0.000   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.000   0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429   0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.429  -1.238   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.429   1.238   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.143   1.650   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.858   1.238   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.858   0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.143   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.143  -0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.858  -1.238   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.858  -2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.143  -2.475   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.429  -2.062   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.572  -2.475   0.000  1.00  0.00           O  
HETATM   20 CL   UNL     1      -0.715  -2.475   0.000  1.00  0.00          Cl  
HETATM   21  C   UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.143   0.000   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.858   0.412   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.572   0.000   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.287   0.412   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.287   1.238   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.572   1.650   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.858   1.238   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.001   1.650   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       5.001   2.475   0.000  1.00  0.00           O  
HETATM   31  N   UNL     1       5.716   1.238   0.000  1.00  0.00           N  
HETATM   32  O   UNL     1       1.731  -0.715   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       2.556  -0.715   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.287  -2.062   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.001  -2.475   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1      -5.716  -2.062   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   21                                            
CONECT    6    5    1                                                 
CONECT    7    1    9   13                                            
CONECT    8    2   14   18                                            
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    7                                                 
CONECT   14    8   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17    8   20                                            
CONECT   19   16   34                                                 
CONECT   20   18                                                      
CONECT   21    5   22                                                 
CONECT   22   21   23   32   33                                       
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   26   30   31                                            
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   22                                                      
CONECT   33   22                                                      
CONECT   34   19   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0AM2B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.373  -0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.373  -1.238   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.658  -1.650   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.944  -1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.944  -0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.658   0.000   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.658   0.825   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.944   1.238   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.229   0.825   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.515   1.238   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.515   2.062   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.229   2.475   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.944   2.062   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -0.800   0.825   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.714   0.004   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.093  -0.167   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.505   0.547   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.047   1.161   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.266  -0.609   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.011  -1.393   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.204  -1.565   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.348  -0.952   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.658  -2.475   0.000  1.00  0.00           O  
HETATM   24  N   UNL     1       1.155  -1.123   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       1.410  -1.908   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.217  -2.079   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.769  -1.466   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.514  -0.681   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.707  -0.510   0.000  1.00  0.00           C  
HETATM   30  S   UNL     1       3.576  -1.637   0.000  1.00  0.00           S  
HETATM   31  O   UNL     1       3.988  -0.923   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       4.373  -1.851   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       3.362  -2.434   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   23                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15   18                                            
CONECT   15   14   16   19                                            
CONECT   16   15   17   22                                            
CONECT   17   16   18                                                 
CONECT   18   17   14                                                 
CONECT   19   15   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   16   24                                            
CONECT   23    3                                                      
CONECT   24   22   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0AM2D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       1.071   1.655   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       1.071   0.830   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.785   0.417   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.499   0.830   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.499   1.655   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.785   2.067   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.785  -0.405   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.358   0.419   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.356   0.831   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.071   0.419   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.785   0.831   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.499   0.419   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.499  -0.406   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.785  -0.819   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.071  -0.406   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.211  -0.817   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.926  -0.405   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -4.640  -0.817   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.640  -1.642   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.926  -2.055   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.211  -1.642   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.352  -2.054   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.926  -2.877   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.497  -0.816   0.000  1.00  0.00           N  
HETATM   25  O   UNL     1       1.073  -0.816   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       2.497  -1.641   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.211  -2.054   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.211  -2.878   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.926  -3.291   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.640  -2.878   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.640  -2.054   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.926  -1.641   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1       5.352  -1.642   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       5.352  -3.290   0.000  1.00  0.00           F  
HETATM   35  C   UNL     1       3.209   2.067   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1       2.502   3.291   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1       4.432   2.774   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1       3.915   0.844   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   35                                            
CONECT    6    5    1                                                 
CONECT    7    3   24   25                                            
CONECT    8    2    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21   23                                            
CONECT   21   20   16                                                 
CONECT   22   19                                                      
CONECT   23   20                                                      
CONECT   24    7   26                                                 
CONECT   25    7                                                      
CONECT   26   24   27                                                 
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   34                                            
CONECT   31   30   32   33                                            
CONECT   32   31   27                                                 
CONECT   33   31                                                      
CONECT   34   30                                                      
CONECT   35   36   37   38    5                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END

$$$$

$$$$

$$$$
D0AN7Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.001   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.001   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.287   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.572   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.572   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.287   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.858   0.412   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.143   0.825   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -2.143   1.650   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.858   2.062   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.858   2.888   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -2.858  -0.412   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.143  -0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.143  -1.650   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.429  -2.062   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.715  -1.650   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.715  -0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1       0.000  -2.062   0.000  1.00  0.00           F  
HETATM   21  N   UNL     1       0.715  -0.825   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1       0.000   0.412   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       0.715  -1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.429  -2.062   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.143  -1.650   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       2.143  -0.825   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.429  -0.412   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.858  -2.062   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       3.572  -1.650   0.000  1.00  0.00           N  
HETATM   30  O   UNL     1       2.858  -2.888   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       4.287  -2.062   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.572  -0.825   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       5.001  -1.650   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.287  -0.412   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       5.001  -0.825   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    7   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18   19                                            
CONECT   18   17   13                                                 
CONECT   19   17   21   22                                            
CONECT   20   16                                                      
CONECT   21   19   23   27                                            
CONECT   22   19                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   21                                                 
CONECT   28   25   29   30                                            
CONECT   29   28   31   32                                            
CONECT   30   28                                                      
CONECT   31   29   33                                                 
CONECT   32   29   34                                                 
CONECT   33   31   35                                                 
CONECT   34   32   35                                                 
CONECT   35   34   33                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0AP1F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.561   0.703   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.347  -0.094   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.551  -0.308   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.967   0.276   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.181   1.073   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.978   1.286   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.143   0.232   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.152   1.003   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.489   1.522   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.376  -0.409   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.191  -0.280   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.486   0.491   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.967   1.132   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.181   1.929   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.597   2.512   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.200   2.298   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.347   0.762   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.561   1.559   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.978   2.142   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.080  -1.179   0.000  1.00  0.00           C  
HETATM   21  H   UNL     1       0.384   1.715   0.000  1.00  0.00           H  
HETATM   22  C   UNL     1       2.070  -0.093   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.856  -0.890   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.717  -1.392   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1      -0.760  -2.216   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1       0.010  -2.512   0.000  1.00  0.00           N  
HETATM   27  N   UNL     1       0.530  -1.871   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9   13                                            
CONECT    9    8    5   16                                            
CONECT   10    7   11   20                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17   22                                       
CONECT   13   12    8   14   21                                       
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15    9                                                 
CONECT   17   12   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   10   24   27                                            
CONECT   21   13                                                      
CONECT   22   12   23                                                 
CONECT   23   22                                                      
CONECT   24   20   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   20                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0AP4V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.135  -0.729   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.922  -1.525   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.614  -1.975   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       2.255  -1.456   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.959  -0.685   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.552  -0.145   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.245  -0.359   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.459  -1.156   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.125  -1.739   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       3.070  -1.585   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.589  -0.944   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.293  -0.173   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.478  -0.044   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.828   0.225   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.625   0.011   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.209   0.595   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.995   1.391   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.578   1.975   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.375   1.761   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.589   0.964   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.006   0.381   0.000  1.00  0.00           C  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    1   13                                            
CONECT    6    1    7                                                 
CONECT    7    6    8   14                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    4   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    5                                                 
CONECT   14    7   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0AQ1T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.367  -0.742   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.653  -0.329   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.062  -0.742   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.776  -0.329   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1      -0.653   0.496   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1       1.491  -0.742   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.205  -0.329   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.205   0.496   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.491   0.908   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.776   0.496   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.920   0.908   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       2.920   1.733   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.920  -0.742   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.006  -1.562   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.813  -1.734   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       4.225  -1.019   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       3.673  -0.406   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       3.887   0.391   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1       2.422  -2.146   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1      -2.082  -0.329   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.796  -0.742   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.796  -1.567   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.082  -1.979   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.367  -1.567   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.511  -0.329   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1      -4.225   0.083   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1      -3.511   0.496   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -4.225  -0.742   0.000  1.00  0.00           F  
HETATM   29  C   UNL     1       2.205   2.146   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       1.491   1.733   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       0.776   2.146   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.062   1.733   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1      -0.653   2.146   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1      -1.367   1.733   0.000  1.00  0.00           C  
CONECT    1    2   20   24                                            
CONECT    2    1    3    5                                            
CONECT    3    2    4                                                 
CONECT    4    3    6   10                                            
CONECT    5    2                                                      
CONECT    6    4    7                                                 
CONECT    7    6    8   13                                            
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    8   12                                                 
CONECT   12   11   29                                                 
CONECT   13    7   14   17                                            
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   13   18                                            
CONECT   18   17                                                      
CONECT   19   14                                                      
CONECT   20    1   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23    1                                                 
CONECT   25   21   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
CONECT   29   12   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0AQ3U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.009  -0.027   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.295   0.385   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.420  -0.027   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.134   0.385   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.849  -0.027   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.849  -0.852   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.563  -1.265   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.278  -0.852   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.278  -0.027   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.563   0.385   0.000  1.00  0.00           C  
HETATM   11  F   UNL     1       3.992   0.385   0.000  1.00  0.00           F  
HETATM   12  N   UNL     1       3.992  -1.265   0.000  1.00  0.00           N  
HETATM   13  F   UNL     1       2.563  -2.090   0.000  1.00  0.00           F  
HETATM   14  S   UNL     1       4.817  -1.265   0.000  1.00  0.00           S  
HETATM   15  C   UNL     1       5.642  -1.265   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       4.817  -0.440   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1       4.817  -2.090   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.134   1.210   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.295   1.210   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1      -1.763   0.308   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.315  -0.305   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.902  -1.019   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.095  -0.848   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.135  -0.218   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.471   0.535   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.291   0.622   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.776  -0.046   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.441  -0.800   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.620  -0.886   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.627   1.375   0.000  1.00  0.00           C  
HETATM   31  H   UNL     1      -5.597   0.040   0.000  1.00  0.00           H  
HETATM   32  F   UNL     1      -5.039   2.090   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -3.912   1.788   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -5.341   0.963   0.000  1.00  0.00           F  
HETATM   35  C   UNL     1      -4.928  -1.465   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1      -5.642  -1.053   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -4.515  -0.751   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1      -4.213  -1.878   0.000  1.00  0.00           F  
CONECT    1    2   20   23                                            
CONECT    2    1    3   19                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   18                                            
CONECT    5    4    6   10                                            
CONECT    6    5    7                                                 
CONECT    7    6    8   13                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9                                                      
CONECT   12    8   14                                                 
CONECT   13    7                                                      
CONECT   14   12   15   16   17                                       
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17   14                                                      
CONECT   18    4                                                      
CONECT   19    2                                                      
CONECT   20    1   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22    1                                                 
CONECT   24   21   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   28   31                                            
CONECT   28   27   29   35                                            
CONECT   29   28   24                                                 
CONECT   30   26   32   33   34                                       
CONECT   31   27                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
CONECT   34   30                                                      
CONECT   35   28   36   37   38                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0AR0L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.590   0.237   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.590  -0.588   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.195  -0.843   0.000  1.00  0.00           N  
HETATM    4  N   UNL     1       0.680  -0.175   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.195   0.492   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.257   0.722   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.257  -1.073   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.054  -0.859   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.637  -1.442   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.434  -1.229   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.018  -1.812   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.804  -2.609   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.007  -2.823   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.424  -2.239   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1       0.450   1.277   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1       1.247   1.490   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.830   0.907   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       2.627   1.121   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.841   1.917   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.257   2.501   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.460   2.287   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.171   1.543   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.838   2.028   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.592   1.692   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.678   0.872   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.011   0.387   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       3.605   2.108   0.000  1.00  0.00           N1+
HETATM   28  O   UNL     1       4.018   2.823   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1       4.018   1.394   0.000  1.00  0.00           O1-
CONECT    1    2    5    6                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    1   15                                            
CONECT    6    1   22   26                                            
CONECT    7    2    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    5   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   27                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22    6   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25    6                                                 
CONECT   27   19   28   29                                            
CONECT   28   27                                                      
CONECT   29   27                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0AR5O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.644   0.740   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930   1.152   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215   0.740   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501   1.152   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.786   0.740   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072   1.152   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.357   0.740   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.357   1.152   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.072   0.740   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       1.786   1.152   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       2.501   0.740   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.644  -0.085   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.930  -0.498   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.215  -0.085   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.501  -0.498   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.501  -1.323   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.786  -1.735   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.072  -1.323   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.072  -0.498   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.786  -0.085   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       2.501  -0.085   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       3.215   1.152   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.930   0.740   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       3.930  -0.085   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1       4.644   1.152   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       2.632   1.735   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.799   1.735   0.000  1.00  0.00           C  
CONECT    1    2   12                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   21   22                                            
CONECT   12    1   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   11                                                      
CONECT   22   11   23   26   27                                       
CONECT   23   22   24   25                                            
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   22   27                                                 
CONECT   27   22   26                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0AR6B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.359   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.644  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.930   0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.215  -0.206   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.501   0.206   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.786  -0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.357  -0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.357   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.072  -0.206   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.786   0.206   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.501  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.215   0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.644  -1.031   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -5.359  -0.619   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1      -3.215  -1.031   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1      -1.072   1.031   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       1.072  -1.031   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       0.357   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.072   1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.786   1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.501   1.444   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.501   2.269   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.786   2.681   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.072   2.269   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       3.215   2.681   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       4.012   2.468   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.501  -1.031   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.215  -1.444   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       3.215   1.031   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       3.930  -0.206   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.215  -2.269   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.930  -2.681   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.644  -2.269   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.644  -1.444   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.930  -1.031   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       5.359  -2.681   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1       4.342  -0.921   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1       4.755  -0.206   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.786  -1.031   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1    3   14   15                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    7   40                                            
CONECT    7    6    8   17                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   19                                            
CONECT   10    9   11   18                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   28                                            
CONECT   13   12   30   31                                            
CONECT   14    2                                                      
CONECT   15    2                                                      
CONECT   16    4                                                      
CONECT   17    7                                                      
CONECT   18   10                                                      
CONECT   19    9   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23   27                                                 
CONECT   27   26                                                      
CONECT   28   12   29                                                 
CONECT   29   28   32   36                                            
CONECT   30   13                                                      
CONECT   31   13   38   39                                            
CONECT   32   29   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   37                                            
CONECT   35   34   36                                                 
CONECT   36   35   29                                                 
CONECT   37   34                                                      
CONECT   38   31   39                                                 
CONECT   39   38   31                                                 
CONECT   40    6                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0AT0A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930  -1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930  -1.856   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215  -2.269   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501  -1.856   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215  -0.619   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.786  -2.269   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.072  -1.856   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.072  -1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.786  -0.619   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.357  -0.619   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.357   0.206   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.072   0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.072   1.444   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.786   0.206   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.357   1.856   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.357   2.681   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.072   3.094   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.786   2.681   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.786   1.856   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.357   0.619   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.072   0.206   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       1.786   0.619   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       2.501   0.206   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.215   0.619   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       3.215   1.444   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.501   1.856   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.786   1.444   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.930   1.856   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.357  -2.269   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -1.786  -3.094   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.357  -0.206   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       0.357  -1.031   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.072  -1.444   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.786  -1.031   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   31                                            
CONECT    8    7    9   30                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13   21                                            
CONECT   13   12   14   15                                            
CONECT   14   13   16   20                                            
CONECT   15   13                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   14                                                 
CONECT   21   12   22                                                 
CONECT   22   21   23   32   36                                       
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   26                                                      
CONECT   30    8                                                      
CONECT   31    7                                                      
CONECT   32   22   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   22                                                 
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0AU3O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.009   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.009   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.706  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.420   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.420   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.706   1.444   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.706  -1.031   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.420  -1.444   0.000  1.00  0.00           C  
HETATM    9 CL   UNL     1       0.706   2.269   0.000  1.00  0.00          Cl  
HETATM   10  N   UNL     1      -0.723   1.444   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.438   1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.191   1.367   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.743   0.754   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.331   0.039   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.524   0.211   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.564   0.840   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.363   2.174   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.135  -1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.849  -1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.564  -1.031   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.564  -0.206   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.849   0.206   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.135  -0.206   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.849  -2.269   0.000  1.00  0.00           C  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    9                                            
CONECT    7    3    8                                                 
CONECT    8    7   18                                                 
CONECT    9    6                                                      
CONECT   10    1   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16   13                                                      
CONECT   17   12                                                      
CONECT   18    8   19   23                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   19                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0AU4G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.216   3.366   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.216   2.541   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.502   2.129   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.213   2.541   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.213   3.366   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.502   3.779   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.927   2.129   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.642   2.541   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.356   2.129   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.071   2.541   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.071   3.366   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.356   3.779   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.642   3.366   0.000  1.00  0.00           C  
HETATM   14  F   UNL     1       2.356   4.604   0.000  1.00  0.00           F  
HETATM   15  F   UNL     1       3.785   2.129   0.000  1.00  0.00           F  
HETATM   16  N   UNL     1      -2.001   3.621   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1      -2.486   2.954   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.001   2.286   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.256   1.502   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.704   0.889   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.958   0.104   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.897   1.060   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.765  -0.068   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.020  -0.852   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.468  -1.465   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.661  -1.294   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.407  -0.509   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.600  -0.338   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.048  -0.951   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.302  -1.735   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.250  -2.348   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       1.057  -2.177   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       1.312  -1.392   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       0.759  -0.779   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1      -2.723  -2.250   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1      -3.530  -2.421   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.785  -3.206   0.000  1.00  0.00           C  
HETATM   38  N   UNL     1      -3.233  -3.819   0.000  1.00  0.00           N  
HETATM   39  C   UNL     1      -2.426  -3.648   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.171  -2.863   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.488  -4.604   0.000  1.00  0.00           C  
CONECT    1    2    6   16                                            
CONECT    2    1    3   18                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    8                                                 
CONECT   14   12                                                      
CONECT   15   10                                                      
CONECT   16    1   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17    2   19                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   23   27                                            
CONECT   22   20                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   35                                            
CONECT   26   25   27                                                 
CONECT   27   26   21   28                                            
CONECT   28   27   29                                                 
CONECT   29   28   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   25   36   40                                            
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39   41                                            
CONECT   39   38   40                                                 
CONECT   40   39   35                                                 
CONECT   41   38                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END

$$$$

$$$$

$$$$
D0AU8E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.801  -0.818   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.801  -1.643   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       1.515  -2.055   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.230  -1.643   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.230  -0.818   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.515  -0.405   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.944  -0.405   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.086  -0.405   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.000   0.415   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.807   0.587   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.219  -0.128   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.667  -0.741   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.142   1.341   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.555   2.055   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.063  -0.349   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.643   0.238   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.441   0.029   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.659  -0.767   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.079  -1.353   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.281  -1.144   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       2.944   0.420   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       3.659  -0.818   0.000  1.00  0.00           O  
CONECT    1    2    6    8                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5   21   22                                            
CONECT    8    1    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12   15                                            
CONECT   12   11    8                                                 
CONECT   13   10   14                                                 
CONECT   14   13                                                      
CONECT   15   11   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21    7                                                      
CONECT   22    7                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0AV1B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.432   0.873   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.432   0.048   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.718  -0.365   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.004   0.048   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.004   0.873   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.718   1.285   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.217   1.128   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.702   0.460   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.217  -0.207   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.711  -0.365   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.797  -1.185   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.604  -1.357   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.017  -0.642   0.000  1.00  0.00           C  
HETATM   14  S   UNL     1       1.465  -0.029   0.000  1.00  0.00           S  
HETATM   15  C   UNL     1       1.940  -2.110   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.837  -0.556   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.173   0.198   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       3.322  -1.223   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.718   2.110   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.107   2.110   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.322   1.976   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.739   1.393   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   19                                            
CONECT    7    1    8   22                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    4   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14   16                                            
CONECT   14   13   10                                                 
CONECT   15   12                                                      
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19    6   20                                                 
CONECT   20   19                                                      
CONECT   21   22                                                      
CONECT   22    7   21                                                 
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0AV6X
  -OEChem-09301911132D

 37 39  0     0  0  0  0  0  0999 V2000
    2.5369   -1.0137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2632    1.0238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.5137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4030   -0.4796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    0.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7991    1.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290   -1.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -0.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7953    2.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    1.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6594    2.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5273    2.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    0.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1311    0.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0218    1.6409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0218   -1.6684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708   -0.8466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.6063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6694   -0.1062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2571    2.3183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6570    3.1337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0630    2.3292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -2.3237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8232   -0.0110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6693    0.2192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4391    1.0652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 34  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 21  2  0  0  0  0
  4 22  2  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 24  1  0  0  0  0
  9 15  2  0  0  0  0
  9 17  1  0  0  0  0
 10 12  2  0  0  0  0
 10 25  1  0  0  0  0
 11 14  2  0  0  0  0
 11 21  1  0  0  0  0
 12 26  1  0  0  0  0
 13 16  2  0  0  0  0
 13 27  1  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 19  2  0  0  0  0
 17 30  1  0  0  0  0
 18 20  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
 23 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  END

$$$$
D0AV8R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.569   0.860   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.314   0.076   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.510   0.076   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.765   0.860   0.000  1.00  0.00           C  
HETATM    5  S   UNL     1       0.098   1.345   0.000  1.00  0.00           S  
HETATM    6 BR   UNL     1      -1.354   1.115   0.000  1.00  0.00          Br  
HETATM    7  C   UNL     1       1.178  -0.409   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.845   0.076   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.590   0.860   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.670   0.076   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.925   0.860   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.257   1.345   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.799  -0.592   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.619  -0.505   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.104  -1.173   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.925  -1.086   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.464  -1.345   0.000  1.00  0.00           O  
CONECT    1    2    5    6                                            
CONECT    2    1    3   13                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    1                                                 
CONECT    6    1                                                      
CONECT    7    3    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    4   12                                            
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    9                                                 
CONECT   13    2   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15                                                      
CONECT   17   13                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D0AW3F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.916  -0.261   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.916  -1.083   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.204  -1.494   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.492  -1.083   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.492  -0.261   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.204   0.150   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.780  -1.494   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.068  -1.083   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.068  -0.261   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.780   0.150   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.356   0.150   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.356  -0.261   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.068   0.150   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.780  -0.261   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.492   0.150   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.492   0.973   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.780   1.384   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.068   0.973   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.204   1.384   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       3.916   0.973   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1       3.204   2.206   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.615   0.863   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.793  -2.206   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.615  -2.206   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.793   0.863   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.356   0.976   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   23   24                                       
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   22   25                                       
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12   26                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16   20   21                                            
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22    6                                                      
CONECT   23    3                                                      
CONECT   24    3                                                      
CONECT   25    6                                                      
CONECT   26   11                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0AW8P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.662   1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.662   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.947   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.233   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.233   1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.947   1.650   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.518   0.000   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.804   0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.804   1.238   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.518   1.650   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.518  -0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.233  -1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.233  -2.062   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.518  -2.475   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.804  -2.062   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.804  -1.238   0.000  1.00  0.00           C  
HETATM   17  H   UNL     1      -0.090  -0.825   0.000  1.00  0.00           H  
HETATM   18  C   UNL     1      -0.090   1.650   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.625   1.238   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1      -0.090   2.475   0.000  1.00  0.00           O  
HETATM   21  H   UNL     1       0.625   0.412   0.000  1.00  0.00           H  
HETATM   22  C   UNL     1      -0.091   0.000   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.187   1.087   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.662   1.087   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.249   1.801   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.425   1.801   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.012   1.087   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.425   0.372   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.249   0.372   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       0.774   0.372   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   22                                            
CONECT    9    8   10   18                                            
CONECT   10    9    5                                                 
CONECT   11    7   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11   17                                            
CONECT   17   16                                                      
CONECT   18    9   19   20                                            
CONECT   19   18   21   23                                            
CONECT   20   18                                                      
CONECT   21   19                                                      
CONECT   22    8                                                      
CONECT   23   19   27   30                                            
CONECT   24   29   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   23                                            
CONECT   28   27   29                                                 
CONECT   29   24   28                                                 
CONECT   30   23                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0AX4Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.303  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.303  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.588  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.874  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.874  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.588  -0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.159  -2.062   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.445  -1.650   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.445  -0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.159  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.270  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.270   0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.445   0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.159   0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.984  -0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.698  -0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.698   0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.984   0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.413   0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.413   1.650   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.698   2.062   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.984   1.650   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.017  -2.062   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.874   0.000   0.000  1.00  0.00           C  
HETATM   25  H   UNL     1      -1.874  -2.475   0.000  1.00  0.00           H  
HETATM   26  O   UNL     1      -0.445   1.650   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.445   0.000   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.270  -1.238   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       2.413   0.000   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       3.127   0.412   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.485   2.859   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.912   2.859   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.802  -2.859   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.375  -2.859   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1       3.127   1.238   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1      -4.019  -0.412   0.000  1.00  0.00           C  
HETATM   37  N   UNL     1      -1.582  -0.412   0.000  1.00  0.00           N  
HETATM   38  C   UNL     1       4.019  -1.134   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       3.305  -0.722   0.000  1.00  0.00           C  
HETATM   40  F   UNL     1       2.892  -1.436   0.000  1.00  0.00           F  
HETATM   41  F   UNL     1       2.590  -0.309   0.000  1.00  0.00           F  
HETATM   42  F   UNL     1       3.717  -0.007   0.000  1.00  0.00           F  
CONECT    1    2    6   36                                            
CONECT    2    1    3   23                                            
CONECT    3    2    4   33   34                                       
CONECT    4    3    5    7   25                                       
CONECT    5    4    6   10   24                                       
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11   27                                       
CONECT   10    9    5   14                                            
CONECT   11    9   12   15   28                                       
CONECT   12   11   13   18                                            
CONECT   13   12   14   26                                            
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19   29                                       
CONECT   18   17   12   22                                            
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   31   32                                       
CONECT   22   21   18                                                 
CONECT   23    2                                                      
CONECT   24    5                                                      
CONECT   25    4                                                      
CONECT   26   13                                                      
CONECT   27    9                                                      
CONECT   28   11                                                      
CONECT   29   17   30                                                 
CONECT   30   29   35   38                                            
CONECT   31   21                                                      
CONECT   32   21                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35   30                                                      
CONECT   36   37    1                                                 
CONECT   37   36                                                      
CONECT   38   30   39                                                 
CONECT   39   38   40   41   42                                       
CONECT   40   39                                                      
CONECT   41   39                                                      
CONECT   42   39                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D0AY2N
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.992   1.549   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.992   0.724   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.278   0.312   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.563   0.724   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.563   1.549   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.278   1.962   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.849   0.312   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.134   0.724   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.134   1.549   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.849   1.962   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.707   0.312   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.677  -0.495   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       0.143  -0.582   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.479   0.172   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.286   0.344   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.357  -1.378   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.227  -1.962   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.154  -1.592   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.838  -0.269   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.645  -0.098   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.900   0.687   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.348   1.300   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.541   1.128   0.000  1.00  0.00           C  
HETATM   24  F   UNL     1       3.707   0.858   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9   14                                            
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    2                                                      
CONECT   12    7   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13    8   15                                            
CONECT   15   14   19   23                                            
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19   15   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   15                                                 
CONECT   24   21                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0AY4N
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.803  -0.412   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.803  -1.238   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.088  -1.650   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.374  -1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.374  -0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.088   0.000   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.088   0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.374   1.238   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.374   2.062   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.088   2.475   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.803   2.062   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.803   1.238   0.000  1.00  0.00           C  
HETATM   13  F   UNL     1      -2.088   3.300   0.000  1.00  0.00           F  
HETATM   14  C   UNL     1      -0.659   0.000   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.055  -0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.770   0.000   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.659  -1.650   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.055  -1.238   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.659  -2.475   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.517  -1.650   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.232  -1.238   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1      -3.517  -2.475   0.000  1.00  0.00           S  
HETATM   23  C   UNL     1      -2.692  -2.475   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.342  -2.475   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.517  -3.300   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1       1.484  -0.412   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       2.199   0.000   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.199   0.825   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.484   1.238   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.770   0.825   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       2.913  -0.412   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       3.628   0.000   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       1.484   2.062   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1       2.199   2.475   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.913   2.062   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1       2.199   3.300   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1       2.913   1.238   0.000  1.00  0.00           C  
HETATM   38  N   UNL     1       3.628   0.825   0.000  1.00  0.00           N  
HETATM   39  C   UNL     1       4.342   1.238   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       4.342   2.062   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       3.628   2.475   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   20                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   17                                            
CONECT    5    4    6   14                                            
CONECT    6    5    1    7                                            
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10                                                      
CONECT   14    5   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   30   26                                            
CONECT   17    4   18   19                                            
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20    2   21   22                                            
CONECT   21   20                                                      
CONECT   22   20   23   24   25                                       
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25   22                                                      
CONECT   26   27   16                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30   33                                            
CONECT   30   29   16                                                 
CONECT   31   27   32                                                 
CONECT   32   31                                                      
CONECT   33   29   34                                                 
CONECT   34   33   35   36                                            
CONECT   35   34   37   41                                            
CONECT   36   34                                                      
CONECT   37   35   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41                                                 
CONECT   41   40   35                                                 
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D0AY5G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.444   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.444  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.730  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.015  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.015   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.730   0.619   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.301  -1.031   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.414  -0.619   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.128  -1.031   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.843  -0.619   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.843   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.128   0.619   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.414   0.206   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.557  -1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.557  -1.856   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.272  -2.269   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.986  -1.856   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.986  -1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.272  -0.619   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1       3.272   0.206   0.000  1.00  0.00           F  
HETATM   21  C   UNL     1      -3.159  -1.031   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1      -3.873  -0.619   0.000  1.00  0.00           S  
HETATM   23  O   UNL     1      -3.461   0.096   0.000  1.00  0.00           O  
HETATM   24  N   UNL     1      -4.286  -1.333   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.588  -0.206   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1       2.557   0.619   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1       4.700  -2.269   0.000  1.00  0.00           F  
HETATM   28  S   UNL     1      -1.730   1.444   0.000  1.00  0.00           S  
HETATM   29  F   UNL     1      -2.444   1.031   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -2.444   1.856   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -1.730   2.269   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -1.015   1.856   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -1.015   1.031   0.000  1.00  0.00           F  
HETATM   34  C   UNL     1      -3.875  -2.045   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1      -4.700  -2.045   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   21                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   28                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12   26                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   27                                            
CONECT   18   17   19                                                 
CONECT   19   18   14   20                                            
CONECT   20   19                                                      
CONECT   21    2   22                                                 
CONECT   22   21   23   24   25                                       
CONECT   23   22                                                      
CONECT   24   22   34                                                 
CONECT   25   22                                                      
CONECT   26   11                                                      
CONECT   27   17                                                      
CONECT   28    6   29   30   31                                       
CONECT   28   32   33                                                 
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
CONECT   32   28                                                      
CONECT   33   28                                                      
CONECT   34   24   35                                                 
CONECT   35   34                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0AY8W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.637   1.698   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.923   2.110   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.208   1.698   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.208   0.873   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.494   0.460   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.221   0.873   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.221   1.698   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.494   2.110   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.352   2.110   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.066   1.698   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.066   0.873   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.352   0.460   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.637   0.873   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.781   0.460   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.495   0.873   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -4.781  -0.365   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -5.495   1.698   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.210   2.110   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.924   1.698   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -6.924   0.873   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -6.210   0.460   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -6.210  -0.365   0.000  1.00  0.00           N  
HETATM   23  H   UNL     1      -7.639   2.110   0.000  1.00  0.00           H  
HETATM   24  C   UNL     1       0.935   0.460   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       1.649   0.873   0.000  1.00  0.00           N  
HETATM   26  O   UNL     1       0.935  -0.365   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       2.364   0.460   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.364  -0.365   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.078  -0.777   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.793  -0.365   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.793   0.460   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.078   0.873   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.507  -0.777   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       5.222  -1.190   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       5.989  -1.396   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       6.401  -2.110   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       7.226  -2.110   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       7.639  -1.396   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       7.226  -0.681   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       6.401  -0.681   0.000  1.00  0.00           C  
CONECT    1    2    9   13                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7   24                                            
CONECT    7    6    8                                                 
CONECT    8    7    3                                                 
CONECT    9    1   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    1                                                 
CONECT   14   11   15   16                                            
CONECT   15   14   17   21                                            
CONECT   16   14                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   15   22                                            
CONECT   22   21                                                      
CONECT   23   19                                                      
CONECT   24    6   25   26                                            
CONECT   25   24   27                                                 
CONECT   26   24                                                      
CONECT   27   25   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   30   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36   40                                            
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   35                                                 
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0AZ6X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.787  -1.445   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.787  -0.620   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.073  -1.859   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.358  -1.445   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.358  -0.620   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.073  -0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.073   0.619   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.359   1.032   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.359   1.857   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.073   2.269   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.788   1.857   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.788   1.032   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       0.357  -1.857   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.071  -1.444   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.786  -1.856   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.787  -2.681   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.501  -3.093   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.216  -2.681   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.216  -1.856   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.501  -1.444   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.073   3.094   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.501  -0.207   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.216  -0.620   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.216  -1.445   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.501  -1.857   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1       1.072  -3.094   0.000  1.00  0.00           F  
CONECT    1    2    3   25                                            
CONECT    2    1    6   22                                            
CONECT    3    1    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    6                                                 
CONECT    6    5    2    7                                            
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   21                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    4   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17   26                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   10                                                      
CONECT   22    2   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24    1                                                 
CONECT   26   16                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0AZ8T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.006   2.048   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.006   1.223   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.291   0.811   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.577   1.223   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.577   2.048   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.291   2.461   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.862   0.811   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.148   1.223   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.148   2.048   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.862   2.461   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.862  -0.014   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.148  -0.427   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.567  -0.014   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.567   0.811   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       1.281   1.223   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.281  -0.427   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.281  -1.252   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       0.567  -1.664   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.995  -1.664   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.209  -2.461   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.006  -2.247   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.792  -1.450   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   14                                            
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    7   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13    8   15                                            
CONECT   15   14                                                      
CONECT   16   13   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17                                                      
CONECT   19   17   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   19                                                 
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0B0AS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.942   0.290   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.738   0.077   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.782  -0.747   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.011  -1.043   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.492  -0.402   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.305  -0.615   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.019  -0.203   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.844  -0.203   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.257   0.512   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.844   1.226   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.019   1.226   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.607   0.512   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       3.064   0.683   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       3.150   1.504   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       2.396   1.839   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1      -0.798  -1.839   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1      -2.380   0.596   0.000  1.00  0.00           N  
HETATM   18 AR   UNL     1      -3.150   0.300   0.000  1.00  0.00          Ar  
CONECT    1    2    5                                                 
CONECT    2    1    3   17                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    1    6                                            
CONECT    6    5    7                                                 
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    9   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    4                                                      
CONECT   17    2   18                                                 
CONECT   18   17                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D0B0BJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.422  -1.643   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.636  -2.439   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.056  -2.889   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.697  -2.369   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.402  -1.599   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.006  -1.059   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.802  -1.273   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.016  -2.070   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.433  -2.653   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.512  -2.499   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.031  -1.857   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.736  -1.087   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.921  -0.958   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.255  -0.446   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.386  -0.689   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.183  -0.903   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.766  -0.320   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.553   0.477   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.136   1.061   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.933   0.847   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.146   0.050   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.563  -0.533   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       3.070  -0.575   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       3.589   0.066   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.293   0.836   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.478   0.965   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.959   0.324   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       3.812   1.477   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       4.627   1.348   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.146   1.989   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       4.851   2.760   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       4.036   2.889   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.517   2.248   0.000  1.00  0.00           C  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    1   13                                            
CONECT    6    1    7                                                 
CONECT    7    6    8   15                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    4   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    5                                                 
CONECT   14   12   23   27                                            
CONECT   15    7   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   14   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   14                                                 
CONECT   28   25   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0B0GG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNK A   0      -3.572  -1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNK A   0      -3.572  -2.062   0.000  1.00  0.00           C  
HETATM    3  C   UNK A   0      -2.858  -2.475   0.000  1.00  0.00           C  
HETATM    4  C   UNK A   0      -2.143  -2.062   0.000  1.00  0.00           C  
HETATM    5  C   UNK A   0      -2.143  -1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNK A   0      -2.858  -0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNK A   0      -1.429  -0.825   0.000  1.00  0.00           C  
HETATM    8  O   UNK A   0      -1.429   0.000   0.000  1.00  0.00           O  
HETATM    9  C   UNK A   0      -0.715   0.412   0.000  1.00  0.00           C  
ATOM     10  N   LEU A   1       0.000   0.000   0.000  1.00  0.00           N  
HETATM   11  O   UNK A   0      -0.715   1.238   0.000  1.00  0.00           O  
ATOM     12  CA  LEU A   1       0.715   0.412   0.000  1.00  0.00           C  
ATOM     13  C   LEU A   1       1.429   0.000   0.000  1.00  0.00           C  
HETATM   14  N   UNK A   2       2.143   0.412   0.000  1.00  0.00           N  
HETATM   15  C   UNK A   2       2.858   0.000   0.000  1.00  0.00           C  
HETATM   16  C   UNK A   2       2.858  -0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNK A   2       2.143  -1.238   0.000  1.00  0.00           C  
HETATM   18  C   UNK A   2       2.143  -2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNK A   2       1.429  -2.475   0.000  1.00  0.00           C  
ATOM     20  CB  LEU A   1       0.715   1.238   0.000  1.00  0.00           C  
ATOM     21  CG  LEU A   1       1.429   1.650   0.000  1.00  0.00           C  
ATOM     22  CD1 LEU A   1       2.143   1.238   0.000  1.00  0.00           C  
ATOM     23  CD2 LEU A   1       1.429   2.475   0.000  1.00  0.00           C  
ATOM     24  O   LEU A   1       1.429  -0.825   0.000  1.00  0.00           O  
HETATM   25  C   UNK A   2       3.572   0.412   0.000  1.00  0.00           C  
HETATM   26  O   UNK A   2       3.572   1.238   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   12                                                 
CONECT   11    9                                                      
CONECT   12   10   13   20                                            
CONECT   13   12   14   24                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   25                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18                                                      
CONECT   20   12   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24   13                                                      
CONECT   25   15   26                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0B0WJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.756   0.339   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.041  -0.074   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.327   0.339   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.388  -0.074   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.102   0.339   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       1.817  -0.074   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       0.388  -0.899   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.969   1.135   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.793   1.179   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.089   0.408   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1      -2.448  -0.111   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.448  -0.936   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.162  -1.348   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.162  -2.173   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.448  -2.586   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.733  -2.173   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.733  -1.348   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -1.019  -2.586   0.000  1.00  0.00          Cl  
HETATM   19  C   UNL     1       1.817  -0.899   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.531  -1.311   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.245  -0.899   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.245  -0.074   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.531   0.339   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.960   0.339   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.960   1.164   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.245   1.576   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.531   1.164   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       3.245   2.401   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.245   1.871   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.960   1.459   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.658   2.586   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.531   2.284   0.000  1.00  0.00           C  
CONECT    1    2    8   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5   19   23                                            
CONECT    7    4                                                      
CONECT    8    1    9                                                 
CONECT    9    8   10   29                                            
CONECT   10    9   11                                                 
CONECT   11   10    1   12                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   12                                                 
CONECT   18   16                                                      
CONECT   19    6   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22    6   27                                            
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   23                                                 
CONECT   28   26                                                      
CONECT   29    9   30   31   32                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0B1UL
  -OEChem-09301911142D

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 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 26 52  1  0  0  0  0
 26 53  1  0  0  0  0
 26 54  1  0  0  0  0
 27 33  1  0  0  0  0
 27 55  1  0  0  0  0
 28 34  1  0  0  0  0
 28 56  1  0  0  0  0
 29 33  1  0  0  0  0
 30 34  1  0  0  0  0
 31 35  1  0  0  0  0
 32 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 57  1  0  0  0  0
 35 58  1  0  0  0  0
 36 38  1  0  0  0  0
 36 59  1  0  0  0  0
 36 60  1  0  0  0  0
 37 39  2  0  0  0  0
 37 41  1  0  0  0  0
 38 40  2  0  0  0  0
 38 42  1  0  0  0  0
 39 43  1  0  0  0  0
 39 65  1  0  0  0  0
 40 44  1  0  0  0  0
 40 66  1  0  0  0  0
 41 45  2  0  0  0  0
 41 67  1  0  0  0  0
 42 46  2  0  0  0  0
 42 68  1  0  0  0  0
 43 47  2  0  0  0  0
 43 69  1  0  0  0  0
 44 48  2  0  0  0  0
 44 70  1  0  0  0  0
 45 47  1  0  0  0  0
 45 71  1  0  0  0  0
 46 48  1  0  0  0  0
 46 72  1  0  0  0  0
 47 73  1  0  0  0  0
 48 74  1  0  0  0  0
M  END

$$$$
D0B2AE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.126   0.861   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.457   0.278   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.365  -0.542   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.334  -0.981   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.112  -0.709   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       1.385   0.070   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.946   0.769   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.236   0.550   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.389   1.361   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.168   1.633   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.321   2.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.100   2.716   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.725   2.178   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.572   1.368   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.793   1.095   0.000  1.00  0.00           C  
HETATM   16 CL   UNL     1      -4.504   2.451   0.000  1.00  0.00          Cl  
HETATM   17  C   UNL     1       2.205   0.162   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.146   1.640   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       2.695  -0.501   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       2.535   0.919   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.045   1.582   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.354   1.011   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.684   1.767   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       3.194   2.431   0.000  1.00  0.00           O  
HETATM   25  N   UNL     1       4.504   1.860   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       2.375   2.339   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.885   3.002   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       2.215   3.759   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       1.725   4.422   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.905   4.330   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.575   3.574   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.065   2.910   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       0.241  -1.801   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1       1.696  -1.292   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.482  -2.089   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.066  -2.672   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       1.852  -3.469   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       2.435  -4.052   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       3.232  -3.839   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       3.446  -3.042   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       2.862  -2.459   0.000  1.00  0.00           C  
HETATM   42  F   UNL     1       3.816  -4.422   0.000  1.00  0.00           F  
HETATM   43 CL   UNL     1      -2.640   0.284   0.000  1.00  0.00          Cl  
CONECT    1    2    7   18                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   33                                            
CONECT    5    4    6   34                                            
CONECT    6    5    7   17                                            
CONECT    7    6    1                                                 
CONECT    8    2    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10   43                                            
CONECT   16   13                                                      
CONECT   17    6   19   20                                            
CONECT   18    1                                                      
CONECT   19   17                                                      
CONECT   20   17   21   22                                            
CONECT   21   20   26                                                 
CONECT   22   20   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   21   27                                                 
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33    4                                                      
CONECT   34    5   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37   41                                            
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40   42                                            
CONECT   40   39   41                                                 
CONECT   41   40   36                                                 
CONECT   42   39                                                      
CONECT   43   15                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END

$$$$

$$$$

$$$$
D0B2GM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.061   1.940   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.061   1.115   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.776   0.703   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.490   1.115   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.490   1.940   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.776   2.353   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.776  -0.122   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.061  -0.535   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.061  -1.360   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.776  -1.772   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.490  -1.360   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.490  -0.535   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.061  -2.185   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.346  -1.772   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       1.061  -3.010   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       2.490  -2.185   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.204  -1.772   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.346   0.703   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.368   1.115   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.082   0.703   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.368   1.940   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.836   1.038   0.000  1.00  0.00           C  
HETATM   23  S   UNL     1      -2.388   0.425   0.000  1.00  0.00           S  
HETATM   24  C   UNL     1      -1.976  -0.289   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.169  -0.118   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.311  -1.043   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.118  -1.215   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.204  -2.035   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1      -2.451  -2.371   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -1.899  -1.758   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       1.776   3.178   0.000  1.00  0.00           N  
HETATM   32  F   UNL     1       3.204   0.703   0.000  1.00  0.00           F  
HETATM   33  C   UNL     1      -2.279  -3.178   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5   32                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   31                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13   16                                       
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   10   17                                                 
CONECT   17   16                                                      
CONECT   18    2   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   22   25                                            
CONECT   21   19                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   20                                                 
CONECT   26   24   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   33                                            
CONECT   30   29   26                                                 
CONECT   31    6                                                      
CONECT   32    4                                                      
CONECT   33   29                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END

$$$$

$$$$

$$$$
D0B2NV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.094   0.866   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.094   0.041   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.309  -0.214   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.824   0.453   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.309   1.120   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.878   1.120   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.363   0.453   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.878  -0.214   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.999   0.453   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.587  -0.262   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.238  -0.262   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       0.651  -0.976   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       1.476  -0.976   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.888  -1.690   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.713  -1.690   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.126  -0.976   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.713  -0.262   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.888  -0.262   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.951  -0.976   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       4.363  -1.690   0.000  1.00  0.00           N  
HETATM   21  O   UNL     1       4.363  -0.262   0.000  1.00  0.00           O  
HETATM   22  H   UNL     1      -3.094   1.690   0.000  1.00  0.00           H  
HETATM   23  H   UNL     1      -3.094  -0.784   0.000  1.00  0.00           H  
CONECT    1    2    5    6   22                                       
CONECT    2    1    3    8   23                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    1                                                 
CONECT    6    1    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    2                                                 
CONECT    9    4   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16   20   21                                            
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22    1                                                      
CONECT   23    2                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0B2VS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.983  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.983  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.269  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.554  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.554  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.269  -0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.698  -0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.840  -0.412   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.126  -0.825   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.411  -0.412   0.000  1.00  0.00           C  
HETATM   11 BR   UNL     1      -3.269   0.412   0.000  1.00  0.00          Br  
HETATM   12  C   UNL     1       0.303  -0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.018  -0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.018   0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.303   0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.411   0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.698   0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.412   0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.127   0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.127  -0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.412  -0.825   0.000  1.00  0.00           C  
HETATM   22 CL   UNL     1      -1.126   0.825   0.000  1.00  0.00          Cl  
HETATM   23  C   ACE A   0       1.732   0.825   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       1.732  -0.825   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       2.447  -0.412   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       2.447   0.412   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       3.161  -0.825   0.000  1.00  0.00           C  
HETATM   28  CA  UNL     1       3.161   0.825   0.000  1.00  0.00           C  
HETATM   29  CB  UNL     1       3.161   1.650   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       2.447   2.062   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       3.161  -1.650   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.876  -2.062   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.590  -1.650   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.590  -0.825   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.876  -0.412   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       5.302  -0.412   0.000  1.00  0.00           C  
HETATM   37  N   UNL     1       6.127  -0.412   0.000  1.00  0.00           N  
HETATM   38  C   UNL     1       3.875   0.000   0.000  1.00  0.00           C  
HETATM   39  O   UNL     1       3.875   0.825   0.000  1.00  0.00           O  
HETATM   40  OXT UNL     1       3.161  -0.412   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1   11                                            
CONECT    7    1   17   21                                            
CONECT    8    5    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   12   16                                            
CONECT   11    6                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14   24                                            
CONECT   14   13   15   23                                            
CONECT   15   14   16                                                 
CONECT   16   15   10   22                                            
CONECT   17    7   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20    7                                                 
CONECT   22   16                                                      
CONECT   23   14   26                                                 
CONECT   24   13   25                                                 
CONECT   25   24   27                                                 
CONECT   26   23   28                                                 
CONECT   27   25   31   35                                            
CONECT   28   26   29   38                                            
CONECT   29   28   30                                                 
CONECT   30   29                                                      
CONECT   31   27   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   36                                            
CONECT   35   34   27                                                 
CONECT   36   34   37                                                 
CONECT   37   36                                                      
CONECT   38   28   39   40                                            
CONECT   39   38                                                      
CONECT   40   38                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0B2YJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.551   0.240   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.551  -0.585   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.837  -0.997   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.122  -0.585   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.122   0.240   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.837   0.653   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.408   0.653   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.306   0.240   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -0.408   1.478   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.021   0.653   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.736   0.240   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.450   0.653   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.450   1.478   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.736   1.890   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.021   1.478   0.000  1.00  0.00           C  
HETATM   16  F   UNL     1       3.164   1.890   0.000  1.00  0.00           F  
HETATM   17  F   UNL     1       3.164   0.240   0.000  1.00  0.00           F  
HETATM   18  N   UNL     1      -3.164  -1.137   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1      -2.829  -1.890   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.008  -1.804   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4   20                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13                                                      
CONECT   17   12                                                      
CONECT   18    2   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19    3                                                 
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0B3CG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.263  -1.115   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.438  -1.115   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.026  -0.400   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.438   0.314   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.263   0.314   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.676  -0.400   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.219  -0.229   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.132   0.592   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.886   0.927   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.418   1.004   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.418   1.829   0.000  1.00  0.00           O  
HETATM   12 CL   UNL     1      -3.676  -1.829   0.000  1.00  0.00          Cl  
HETATM   13  N   UNL     1       0.296   0.592   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.235  -0.231   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.840  -0.792   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.655  -0.669   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.068   0.045   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.766   0.813   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.978   1.056   0.000  1.00  0.00           C  
HETATM   20  S   UNL     1       2.208  -1.282   0.000  1.00  0.00           S  
HETATM   21  C   UNL     1       2.961  -0.947   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.875  -0.126   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.676  -1.359   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    4                                                 
CONECT   10    8   11   13                                            
CONECT   11   10                                                      
CONECT   12    1                                                      
CONECT   13   10   14   19                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   13                                                 
CONECT   20   16   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   17                                                 
CONECT   23   21                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0B3FN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.295  -1.854   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.295  -2.679   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.580  -3.092   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.866  -2.679   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.866  -1.854   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.580  -1.442   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.151  -3.092   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.437  -2.679   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.278  -3.092   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.992  -2.679   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.992  -1.854   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.278  -1.442   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.437  -1.854   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.580  -0.617   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.706  -1.442   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.421  -1.854   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       1.706  -0.617   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       3.135  -1.442   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.850  -1.854   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.564  -1.442   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.564  -0.617   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.850  -0.204   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.135  -0.617   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.421  -0.204   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.866  -0.204   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.866   0.621   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.580   1.033   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.295   0.621   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.295  -0.204   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -4.079  -1.599   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -4.564  -2.267   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.079  -2.934   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.334  -0.815   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.850  -2.679   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1      -2.580   1.858   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1      -3.292   2.269   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1      -4.004   2.681   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1      -4.004   1.858   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1      -3.292   3.092   0.000  1.00  0.00           F  
CONECT    1    2    6   30                                            
CONECT    2    1    3   32                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   14                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    6   25   29                                            
CONECT   15   11   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   19   23                                            
CONECT   19   18   20   34                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18   24                                            
CONECT   24   23                                                      
CONECT   25   14   26                                                 
CONECT   26   25   27                                                 
CONECT   27   35   26   28                                            
CONECT   28   27   29                                                 
CONECT   29   28   14                                                 
CONECT   30    1   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31    2                                                 
CONECT   33   30                                                      
CONECT   34   19                                                      
CONECT   35   36   27                                                 
CONECT   36   37   38   39   35                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   36                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0B3QI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.482  -0.443   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.482  -1.268   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.837  -1.782   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.033  -1.599   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.325  -0.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.033  -0.112   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.837   0.071   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.196  -0.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.911  -0.443   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.911  -1.268   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.196  -1.681   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.767   0.794   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1      -1.482   1.207   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.196   0.794   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.911   1.207   0.000  1.00  0.00           O  
HETATM   16  F   UNL     1      -3.625  -1.681   0.000  1.00  0.00           F  
HETATM   17  C   UNL     1       1.150  -0.856   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.482   0.533   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.306   0.496   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.596   1.268   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.951   1.782   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1       0.262   1.328   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.510   1.618   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.563  -1.570   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.388  -1.570   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.800  -0.856   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.388  -0.141   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.563  -0.141   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1       3.625  -0.856   0.000  1.00  0.00           F  
CONECT    1    2    7    8                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   17                                            
CONECT    6    5    7   18                                            
CONECT    7    6    1   12                                            
CONECT    8    1    9   14                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   16                                            
CONECT   11   10    2                                                 
CONECT   12    7   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    8   15                                            
CONECT   15   14                                                      
CONECT   16   10                                                      
CONECT   17    5   24   28                                            
CONECT   18    6   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   18   23                                            
CONECT   23   22                                                      
CONECT   24   17   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   17                                                 
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0B3XW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.640   0.446   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.640  -0.379   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.926  -0.791   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.211  -0.379   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.211   0.446   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.926   0.859   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.497   0.859   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.782   0.446   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.068   0.859   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.068   1.684   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.782   2.096   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.497   1.684   0.000  1.00  0.00           C  
HETATM   13 CL   UNL     1      -3.211   2.096   0.000  1.00  0.00          Cl  
HETATM   14  N   UNL     1      -0.353   0.446   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.361   0.859   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.076   0.446   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       0.361   1.684   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.076  -0.379   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.790  -0.791   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.505  -0.379   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.505   0.446   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.790   0.859   0.000  1.00  0.00           C  
HETATM   23 CL   UNL     1       1.790   1.684   0.000  1.00  0.00          Cl  
HETATM   24  N   UNL     1       3.219  -0.791   0.000  1.00  0.00           N  
HETATM   25  S   UNL     1       3.973  -0.455   0.000  1.00  0.00           S  
HETATM   26  O   UNL     1       3.759   0.341   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1       4.556   0.128   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.926  -1.616   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.211  -2.029   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.497  -1.616   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.497  -0.791   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.133  -1.612   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.800  -2.096   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.554  -1.761   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.640  -0.940   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   28                                            
CONECT    4    3    5   31                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7   13                                            
CONECT   13   12                                                      
CONECT   14    9   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   18   22                                            
CONECT   17   15                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   16   23                                            
CONECT   23   22                                                      
CONECT   24   20   25   32                                            
CONECT   25   24   26   27   35                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28    3   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30    4                                                 
CONECT   32   24   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   25                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0B4FV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.001   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.001   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.287   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.572   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.572   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.287   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.858   0.412   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.143   0.825   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -2.143   1.650   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.858   2.062   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.858   2.888   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -2.858  -0.412   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.143  -0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.143  -1.650   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.429  -2.062   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.715  -1.650   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.715  -0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1       0.000  -2.062   0.000  1.00  0.00           F  
HETATM   21  N   UNL     1       0.715  -0.825   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1       0.000   0.412   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       0.715  -1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.429  -2.062   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.143  -1.650   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       2.143  -0.825   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.429  -0.412   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.858  -2.062   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.572  -1.650   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       2.858  -2.888   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       4.287  -2.062   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.572  -0.825   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.858  -0.412   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       5.001  -1.650   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    7   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18   19                                            
CONECT   18   17   13                                                 
CONECT   19   17   21   22                                            
CONECT   20   16                                                      
CONECT   21   19   23   27                                            
CONECT   22   19                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   21                                                 
CONECT   28   25   29   30                                            
CONECT   29   28   31   32                                            
CONECT   30   28                                                      
CONECT   31   29   34                                                 
CONECT   32   29   33                                                 
CONECT   33   32                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0B4IH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.357   1.650   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.357   0.825   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.357   0.412   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.072   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.072   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.357   2.062   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.786   0.412   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.501   0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.501   1.650   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.786   2.062   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       3.215   0.412   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.072   0.412   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.786   0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.786   1.650   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.501   2.062   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.215   1.650   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.215   0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.501   0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.786  -0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.072  -0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.501  -0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.501  -1.650   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       3.215  -2.062   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   12                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   19                                            
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    8                                                      
CONECT   12    2   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19    7   20   21                                            
CONECT   20   19                                                      
CONECT   21   19   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0B4IU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.864   1.072   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.451   0.357   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.626   0.357   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.213   1.072   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.626   1.786   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.451   1.786   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.389   1.072   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.564   1.072   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.262   1.072   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.674   0.357   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.499   0.357   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.911   1.072   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.499   1.786   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.674   1.786   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.911  -0.357   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.736  -0.357   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.149   0.357   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.736   1.072   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.864  -0.357   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       3.864   0.770   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.864  -0.055   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       1.499  -1.072   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.911  -1.786   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   19                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13   18                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   11   16   22                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   20   21                                       
CONECT   18   17   12                                                 
CONECT   19    2                                                      
CONECT   20   17                                                      
CONECT   21   17                                                      
CONECT   22   15   23                                                 
CONECT   23   22                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0B4NI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   1.422   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501   0.597   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786   0.185   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072   0.597   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072   1.422   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   1.835   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.215   0.185   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.930   0.597   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.930   1.422   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.644   1.835   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.359   1.422   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.359   0.597   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.644   0.185   0.000  1.00  0.00           C  
HETATM   14 CL   UNL     1      -4.644  -0.640   0.000  1.00  0.00          Cl  
HETATM   15 CL   UNL     1      -3.258   1.878   0.000  1.00  0.00          Cl  
HETATM   16  C   UNL     1      -0.357   0.185   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.357   0.597   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1      -0.357  -0.640   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.072   0.185   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.072  -0.640   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.786  -1.053   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.501  -0.640   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.501   0.185   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.786   0.597   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       3.215  -1.053   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       3.930  -0.640   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.644  -1.053   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.359  -0.640   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.644  -1.878   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.215  -0.640   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.501  -1.053   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.786  -0.640   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       2.855   0.391   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       2.141  -0.021   0.000  1.00  0.00           O  
HETATM   35  N   UNL     1       3.570  -0.021   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1       4.284   0.391   0.000  1.00  0.00           C  
CONECT    1    2    6   15                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8   30                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8   14                                            
CONECT   14   13                                                      
CONECT   15    1                                                      
CONECT   16    4   17   18                                            
CONECT   17   16   19                                                 
CONECT   18   16                                                      
CONECT   19   17   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24   33                                            
CONECT   24   23   19                                                 
CONECT   25   22   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30    7   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31                                                      
CONECT   33   23   34   35                                            
CONECT   34   33                                                      
CONECT   35   33   36                                                 
CONECT   36   35                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0B4TX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.205   0.139   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.205  -0.686   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.491  -1.099   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.776  -0.686   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.776   0.139   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.491   0.551   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.062  -1.099   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.653  -0.686   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.653   0.139   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.062   0.551   0.000  1.00  0.00           C  
HETATM   11 CL   UNL     1      -1.491   1.376   0.000  1.00  0.00          Cl  
HETATM   12  C   UNL     1      -2.920   0.551   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.062   1.376   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.367   0.551   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.082   0.139   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.082  -0.686   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.796  -1.099   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.511  -0.686   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       3.511   0.139   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.796   0.551   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       2.796   1.376   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       4.225  -1.099   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.006   1.372   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.813   1.543   0.000  1.00  0.00           O  
HETATM   25  N   UNL     1      -4.225   0.829   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.673   0.216   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.393   1.924   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.845  -0.591   0.000  1.00  0.00           C  
HETATM   29 CL   UNL     1      -1.491  -1.924   0.000  1.00  0.00          Cl  
HETATM   30  O   UNL     1       1.464  -0.829   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       2.179  -1.242   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   29                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9    5   13                                            
CONECT   11    6                                                      
CONECT   12    1   23   26                                            
CONECT   13   10                                                      
CONECT   14    9   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17   30                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
CONECT   22   18                                                      
CONECT   23   12   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   12   28                                            
CONECT   27   23                                                      
CONECT   28   26                                                      
CONECT   29    3                                                      
CONECT   30   16   31                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0B4VO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.073  -2.062   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.787  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.359  -1.650   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.359  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.073  -0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.787  -0.825   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -4.644  -2.062   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.930  -1.650   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.215  -2.062   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.930  -0.825   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.501  -1.650   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.786  -2.062   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.072  -1.650   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.357  -2.062   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.357  -1.650   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.072  -2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.786  -1.650   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.501  -2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.215  -1.650   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.930  -2.062   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.644  -1.650   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       4.644  -0.825   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       5.359  -0.412   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       5.359   0.412   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       6.073   0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       6.073   1.650   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       6.787   2.062   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1       5.359   2.062   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1       6.073  -0.825   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       3.930  -0.412   0.000  1.00  0.00           O  
CONECT    1    2    3                                                 
CONECT    2    1    6                                                 
CONECT    3    1    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    2                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   30                                            
CONECT   23   22   24   29                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   23                                                      
CONECT   30   22                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0B5BT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.950  -1.117   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.950  -1.942   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.235  -2.354   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.521  -1.942   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.521  -1.117   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -5.235  -0.704   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1      -3.806  -0.704   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.092  -1.117   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.377  -0.704   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.377   0.121   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.092   0.533   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.806   0.121   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.663   0.533   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.866   0.320   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.653   1.117   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.449   1.330   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.062   1.529   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.776   1.117   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       0.062   2.354   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       0.776   0.292   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.491  -0.121   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.205   0.292   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.205   1.117   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.491   1.529   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.990   0.037   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       3.475   0.704   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       2.990   1.372   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       4.300   0.704   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.712  -0.010   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.537  -0.010   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.950   0.704   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.537   1.419   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.712   1.419   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   13                                                 
CONECT   17   15   18   19                                            
CONECT   18   17   20   24                                            
CONECT   19   17                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24   27                                            
CONECT   24   23   18                                                 
CONECT   25   22   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   23                                                 
CONECT   28   26   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0B5DX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.191  -1.539   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.191  -2.364   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.477  -2.776   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.762  -2.364   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.762  -1.539   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.477  -1.126   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.906  -2.776   0.000  1.00  0.00           N  
HETATM    8  S   UNL     1      -0.048  -2.776   0.000  1.00  0.00           S  
HETATM    9  C   UNL     1       0.666  -2.364   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.381  -2.776   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.095  -2.364   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.095  -1.539   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.381  -1.126   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.666  -1.539   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       2.810  -1.126   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       3.524  -1.539   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.524  -2.364   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       4.239  -1.126   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.953  -1.539   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.731  -2.776   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.216  -2.109   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.000  -2.364   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -5.000  -3.189   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1      -4.216  -3.443   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.668  -1.879   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.477  -0.301   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.762   0.111   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.762   0.936   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.191   0.936   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.191   0.111   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.477   1.349   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1      -1.477   2.174   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1      -0.809   2.659   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.064   3.443   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.889   3.443   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.144   2.659   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1       4.953  -2.364   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1       5.668  -1.126   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1       4.953  -0.714   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   26                                            
CONECT    7    2   20                                                 
CONECT    8    4    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18   37   38   39                                       
CONECT   20    7   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   20                                                 
CONECT   25   22                                                      
CONECT   26    6   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   31                                                 
CONECT   29   30   31                                                 
CONECT   30   29   26                                                 
CONECT   31   29   28   32                                            
CONECT   32   31   33   36                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   32                                                 
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0B5FA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.736   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.736   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.021   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.306   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.306   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.021   2.062   0.000  1.00  0.00           C  
HETATM    7 BR   UNL     1      -2.450   2.062   0.000  1.00  0.00          Br  
HETATM    8  N   UNL     1      -1.021  -0.412   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.306  -0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.408  -0.412   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.306  -1.650   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1      -1.021  -2.062   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       1.122  -0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.837  -0.412   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       1.837   0.412   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.122   0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.408   0.412   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.294  -1.632   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.114  -1.718   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.450  -0.965   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    3    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   13   17                                            
CONECT   11    9   12                                                 
CONECT   12   11                                                      
CONECT   13   10   14   18                                            
CONECT   14   13   15   20                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   10                                                 
CONECT   18   13   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   14                                                 
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0B5NJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.340  -0.931   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.981  -0.411   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.543  -0.717   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.040  -1.300   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.837  -1.087   0.000  1.00  0.00           N  
HETATM    6  O   UNL     1      -0.330   0.080   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1       1.478  -1.606   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.170  -1.157   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.957  -0.360   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.133  -0.317   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.476   0.281   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.291   0.152   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.810   0.793   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.514   1.564   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       2.699   1.693   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       2.180   1.051   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       0.683   0.375   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.852   0.403   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.493   0.923   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.264   0.627   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.393  -0.188   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.751  -0.707   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.478  -2.431   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.193  -2.844   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.764  -2.844   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.033   2.205   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       4.672   1.687   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       4.551   2.844   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1       3.394   2.722   0.000  1.00  0.00           F  
HETATM   30  O   UNL     1      -3.905   1.146   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.672   0.852   0.000  1.00  0.00           C  
CONECT    1    2    3                                                 
CONECT    2    1   18   22                                            
CONECT    3    1    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4    7   10                                            
CONECT    6    3                                                      
CONECT    7    5    8   23                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   17                                            
CONECT   11    9   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   26   13   15                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   10                                                      
CONECT   18    2   19                                                 
CONECT   19   18   20                                                 
CONECT   20   30   19   21                                            
CONECT   21   20   22                                                 
CONECT   22   21    2                                                 
CONECT   23    7   24   25                                            
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   27   28   29   14                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30   31   20                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0B5QU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.373  -1.910   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.373  -2.735   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.658  -3.148   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.056  -2.735   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.056  -1.910   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.658  -1.498   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.771  -3.148   0.000  1.00  0.00           C  
HETATM    8  F   UNL     1       1.485  -3.560   0.000  1.00  0.00           F  
HETATM    9  F   UNL     1       0.358  -3.862   0.000  1.00  0.00           F  
HETATM   10  N   UNL     1      -0.658  -0.673   0.000  1.00  0.00           N  
HETATM   11  F   UNL     1       1.183  -2.433   0.000  1.00  0.00           F  
HETATM   12  C   UNL     1       0.056  -0.260   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.056   0.565   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.658   0.977   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.373   0.565   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.373  -0.260   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.771  -0.673   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.087  -0.673   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.087   0.977   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.087   1.802   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1      -2.801   0.565   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       0.771   0.977   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.568   0.764   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.017   1.456   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       1.498   2.097   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1       0.728   1.801   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       0.013   2.214   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.013   3.039   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.701   3.451   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.416   3.039   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.416   2.214   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.701   1.801   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.842   1.456   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.130   3.451   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1      -2.842   3.862   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   10                                            
CONECT    7    4    8    9   11                                       
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    6   12   16                                            
CONECT   11    7                                                      
CONECT   12   10   13   17                                            
CONECT   13   12   14   22                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   10   18                                            
CONECT   17   12                                                      
CONECT   18   16                                                      
CONECT   19   15   20   21                                            
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   13   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25   33                                            
CONECT   25   24   26                                                 
CONECT   26   25   22   27                                            
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   34   29   31                                            
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   24                                                      
CONECT   34   35   30                                                 
CONECT   35   34                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0B5QZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.693  -0.405   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.693  -1.230   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.407  -1.643   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.122  -1.230   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.122  -0.405   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.407   0.007   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       2.836   0.007   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       2.836  -1.643   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       2.836  -2.468   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1       3.551  -1.230   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1      -0.022   0.007   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.108   0.828   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.915   0.999   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.327   0.285   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.775  -0.328   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.250   1.753   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.663   2.468   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1      -2.471   0.959   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.216   0.175   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.883  -0.310   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.551   0.175   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.296   0.959   0.000  1.00  0.00           C  
CONECT    1    2    6   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    4    9   10                                            
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11    1   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   19                                            
CONECT   15   14   11                                                 
CONECT   16   13   17                                                 
CONECT   17   16                                                      
CONECT   18   19   22                                                 
CONECT   19   18   20   14                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   18                                                 
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0B5WF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -0.412   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.786  -0.825   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.072  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.357  -0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.786   1.650   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.072   2.062   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1      -2.501   2.062   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1      -0.357  -1.650   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.357  -2.062   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.072  -1.650   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.072  -0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.357  -0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.786  -0.412   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.501  -0.825   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       1.786   0.412   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    4   11   15                                            
CONECT    8    6    9   10                                            
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11    7   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14    7                                                 
CONECT   16   14   17   18                                            
CONECT   17   16                                                      
CONECT   18   16                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D0B5YS
  -OEChem-10121500492D

 19 19  0     0  0  0  0  0  0999 V2000
    4.2690    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4450    1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250    2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 11  1  0  0  0  0
  2  7  1  0  0  0  0
  2 19  1  0  0  0  0
  3 10  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
M  END

$$$$
D0B6DN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.762   1.591   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.059   1.628   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.278   2.420   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.408   2.873   0.000  1.00  0.00           N  
HETATM    5  N   UNL     1      -1.051   2.361   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.843   2.580   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.256   0.076   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.572   0.985   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.084   0.342   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.596  -0.301   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.296  -1.067   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.808  -1.710   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.621  -1.587   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.921  -0.822   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.409  -0.179   0.000  1.00  0.00           C  
HETATM   16  S   UNL     1       3.133  -2.230   0.000  1.00  0.00           S  
HETATM   17  N   UNL     1       3.646  -2.873   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       3.776  -1.718   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       2.490  -2.743   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.991  -0.291   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.041  -1.112   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.355  -1.565   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.619  -1.198   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.570  -0.377   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.927   0.135   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.215   0.905   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.037   0.869   0.000  1.00  0.00           C  
HETATM   28 CL   UNL     1      -3.776  -1.479   0.000  1.00  0.00          Cl  
CONECT    1    2    5   26                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    1    6                                            
CONECT    6    5                                                      
CONECT    7   20   24   27                                            
CONECT    8    2    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   17   18   19   13                                       
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19   16                                                      
CONECT   20    7   21                                                 
CONECT   21   20   22   28                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23    7   25                                            
CONECT   25   24   26                                                 
CONECT   26   25   27    1                                            
CONECT   27   26    7                                                 
CONECT   28   21                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0B6GA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.295  -1.854   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.295  -2.679   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.580  -3.092   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.866  -2.679   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.866  -1.854   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.580  -1.442   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.151  -3.092   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.437  -2.679   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.278  -3.092   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.992  -2.679   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.992  -1.854   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.278  -1.442   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.437  -1.854   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.580  -0.617   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.706  -1.442   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.421  -1.854   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       1.706  -0.617   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       3.135  -1.442   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.850  -1.854   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.564  -1.442   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.564  -0.617   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.850  -0.204   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.135  -0.617   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.421  -0.204   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.866  -0.204   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.866   0.621   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.580   1.033   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.295   0.621   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.295  -0.204   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.079  -1.599   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.564  -2.267   0.000  1.00  0.00           C  
HETATM   32  S   UNL     1      -4.079  -2.934   0.000  1.00  0.00           S  
HETATM   33  C   UNL     1       3.850  -2.679   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1      -2.580   1.858   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1      -3.292   2.269   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1      -4.004   2.681   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -4.004   1.858   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1      -3.292   3.092   0.000  1.00  0.00           F  
CONECT    1    2    6   30                                            
CONECT    2    1    3   32                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   14                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    6   25   29                                            
CONECT   15   11   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   19   23                                            
CONECT   19   18   20   33                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18   24                                            
CONECT   24   23                                                      
CONECT   25   14   26                                                 
CONECT   26   25   27                                                 
CONECT   27   34   26   28                                            
CONECT   28   27   29                                                 
CONECT   29   28   14                                                 
CONECT   30    1   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31    2                                                 
CONECT   33   19                                                      
CONECT   34   35   27                                                 
CONECT   35   36   37   38   34                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0B6KC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1     -10.598   1.263   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -9.884   1.676   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -9.169   1.263   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.455   1.676   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -7.740   1.263   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -7.026   1.676   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.311   1.263   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -5.597   1.676   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -8.455   2.501   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1      -6.311   0.438   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.843   1.340   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.291   1.953   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.704   2.668   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.511   2.496   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.026   2.501   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.311   2.913   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.311   3.738   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.026   4.151   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.740   3.738   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.740   2.913   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.630   0.543   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.344   0.131   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1      -3.915   0.131   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.915  -0.694   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.583  -1.179   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.328  -1.964   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.503  -1.964   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.248  -1.179   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.389  -1.008   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.942  -1.621   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.687  -2.405   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.880  -2.577   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1      -2.533  -0.767   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1      -1.950  -1.350   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.235  -0.938   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.521  -0.525   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      10.598  -1.029   0.000  1.00  0.00           C  
HETATM   38  N   UNL     1       9.913  -1.489   0.000  1.00  0.00           N  
HETATM   39  C   UNL     1       9.172  -1.125   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       8.487  -1.585   0.000  1.00  0.00           C  
HETATM   41  N   UNL     1       7.747  -1.222   0.000  1.00  0.00           N  
HETATM   42  C   UNL     1       7.062  -1.681   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       6.321  -1.318   0.000  1.00  0.00           C  
HETATM   44  N   UNL     1       5.636  -1.778   0.000  1.00  0.00           N  
HETATM   45  O   UNL     1       6.265  -0.495   0.000  1.00  0.00           O  
HETATM   46  C   UNL     1       4.861  -1.494   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1       4.352  -2.142   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1       4.812  -2.827   0.000  1.00  0.00           C  
HETATM   49  C   UNL     1       5.605  -2.602   0.000  1.00  0.00           C  
HETATM   50  C   UNL     1       7.117  -2.504   0.000  1.00  0.00           C  
HETATM   51  C   UNL     1       6.432  -2.964   0.000  1.00  0.00           C  
HETATM   52  C   UNL     1       6.488  -3.787   0.000  1.00  0.00           C  
HETATM   53  C   UNL     1       7.229  -4.151   0.000  1.00  0.00           C  
HETATM   54  C   UNL     1       7.913  -3.691   0.000  1.00  0.00           C  
HETATM   55  C   UNL     1       7.858  -2.868   0.000  1.00  0.00           C  
HETATM   56  C   UNL     1       4.595  -0.713   0.000  1.00  0.00           C  
HETATM   57  O   UNL     1       5.280  -0.253   0.000  1.00  0.00           O  
HETATM   58  N   UNL     1       3.854  -0.349   0.000  1.00  0.00           N  
HETATM   59  C   UNL     1       3.798   0.474   0.000  1.00  0.00           C  
HETATM   60  C   UNL     1       4.432   1.002   0.000  1.00  0.00           C  
HETATM   61  C   UNL     1       4.124   1.768   0.000  1.00  0.00           C  
HETATM   62  C   UNL     1       3.301   1.713   0.000  1.00  0.00           C  
HETATM   63  C   UNL     1       3.100   0.913   0.000  1.00  0.00           C  
HETATM   64  C   UNL     1       5.248   0.886   0.000  1.00  0.00           C  
HETATM   65  C   UNL     1       5.758   1.535   0.000  1.00  0.00           C  
HETATM   66  C   UNL     1       5.451   2.300   0.000  1.00  0.00           C  
HETATM   67  C   UNL     1       4.634   2.417   0.000  1.00  0.00           C  
HETATM   68  O   UNL     1       2.415   0.453   0.000  1.00  0.00           O  
HETATM   69  C   UNL     1       1.793   0.996   0.000  1.00  0.00           C  
HETATM   70  C   UNL     1       1.108   0.536   0.000  1.00  0.00           C  
HETATM   71  C   UNL     1       0.423   0.076   0.000  1.00  0.00           C  
HETATM   72  O   UNL     1       8.487  -2.410   0.000  1.00  0.00           O  
HETATM   73  C   UNL     1       9.172  -0.300   0.000  1.00  0.00           C  
HETATM   74  C   UNL     1      -9.169   0.438   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4   74                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    7   15                                            
CONECT    7    6    8   10                                            
CONECT    8    7   11   14                                            
CONECT    9    4                                                      
CONECT   10    7                                                      
CONECT   11    8   12   21                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    8                                                 
CONECT   15    6   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   11   22   23                                            
CONECT   22   21                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25   28                                            
CONECT   25   24   26   29                                            
CONECT   26   25   27   32                                            
CONECT   27   26   28                                                 
CONECT   28   27   24   33                                            
CONECT   29   25   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   26                                                 
CONECT   33   28   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   71                                                 
CONECT   37   38                                                      
CONECT   38   37   39                                                 
CONECT   39   38   40   73                                            
CONECT   40   39   41   72                                            
CONECT   41   40   42                                                 
CONECT   42   41   43   50                                            
CONECT   43   42   44   45                                            
CONECT   44   43   46   49                                            
CONECT   45   43                                                      
CONECT   46   44   47   56                                            
CONECT   47   46   48                                                 
CONECT   48   47   49                                                 
CONECT   49   48   44                                                 
CONECT   50   42   51   55                                            
CONECT   51   50   52                                                 
CONECT   52   51   53                                                 
CONECT   53   52   54                                                 
CONECT   54   53   55                                                 
CONECT   55   54   50                                                 
CONECT   56   46   57   58                                            
CONECT   57   56                                                      
CONECT   58   56   59                                                 
CONECT   59   58   60   63                                            
CONECT   60   59   61   64                                            
CONECT   61   60   62   67                                            
CONECT   62   61   63                                                 
CONECT   63   62   59   68                                            
CONECT   64   60   65                                                 
CONECT   65   64   66                                                 
CONECT   66   65   67                                                 
CONECT   67   66   61                                                 
CONECT   68   63   69                                                 
CONECT   69   68   70                                                 
CONECT   70   69   71                                                 
CONECT   71   70   36                                                 
CONECT   72   40                                                      
CONECT   73   39                                                      
CONECT   74    3                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
M  END

$$$$
D0B6NT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.477   0.025   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.477  -0.800   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.762  -1.212   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.048  -0.800   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.048   0.025   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.762   0.438   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.192   0.438   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.192  -1.212   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.192   1.263   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.906   1.675   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.620   1.263   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.620   0.438   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.906   0.025   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.906  -0.800   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.620  -1.212   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.620  -2.037   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.906  -2.450   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.192  -2.037   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -4.335   1.675   0.000  1.00  0.00          Cl  
HETATM   20 CL   UNL     1      -1.477  -2.450   0.000  1.00  0.00          Cl  
HETATM   21  C   UNL     1       0.565   0.577   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.230   1.331   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.591   1.245   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.372   0.406   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       1.924   1.019   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1       1.627  -0.379   0.000  1.00  0.00           N  
HETATM   27  S   UNL     1       3.537  -1.743   0.000  1.00  0.00           S  
HETATM   28  O   UNL     1       3.945  -2.460   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1       4.335  -1.535   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       3.349  -0.940   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.527  -0.870   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.207  -1.630   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.830  -2.170   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.741  -0.073   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1       0.752   2.460   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1       1.466   2.048   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       2.181   2.460   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1       2.895   2.048   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   21                                            
CONECT    6    5    1   23                                            
CONECT    7    9   13    1                                            
CONECT    8    2   14   18                                            
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   19                                            
CONECT   12   11   13                                                 
CONECT   13   12    7                                                 
CONECT   14    8   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17    8   20                                            
CONECT   19   11                                                      
CONECT   20   18                                                      
CONECT   21    5   22   24                                            
CONECT   22   21   23   35                                            
CONECT   23   22    6                                                 
CONECT   24   21   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   31                                                 
CONECT   27   28   29   30   33                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27   31                                                 
CONECT   31   30   32   26   34                                       
CONECT   32   31   33                                                 
CONECT   33   32   27                                                 
CONECT   34   31                                                      
CONECT   35   22   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0B6VY
  -OEChem-09301911122D

 60 62  0     1  0  0  0  0  0999 V2000
    3.7320    3.5002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084    2.3050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.5002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084    0.6955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.4998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.4998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7320    2.5002    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660    2.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3191    3.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5920    1.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2976    3.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6512    3.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.6902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.8102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.4176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    1.1079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.1202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    3.0372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.8102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.9633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    1.0002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    1.0002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    1.0372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.1902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -0.0367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.8102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7331    2.7940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2120    1.5002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4254    2.8550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9042    3.5896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1697    4.0684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1127    4.4138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2372    4.4612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1898    3.5857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.8098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181   -0.4172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196   -1.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.1898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.1898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.8098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.6198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 45  1  0  0  0  0
  9  2  1  6  0  0  0
  2 16  1  0  0  0  0
  2 35  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 21  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  2  0  0  0  0
  5 16  2  0  0  0  0
  5 20  1  0  0  0  0
  6 19  1  0  0  0  0
  6 21  2  0  0  0  0
  7 20  1  0  0  0  0
  7 24  1  0  0  0  0
  7 54  1  0  0  0  0
  8 27  1  0  0  0  0
  8 29  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 32  1  0  0  0  0
 12 15  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 17 19  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 18 46  1  0  0  0  0
 19 20  2  0  0  0  0
 21 47  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 24 25  1  0  0  0  0
 24 55  1  0  0  0  0
 24 56  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 57  1  0  0  0  0
 27 58  1  0  0  0  0
 28 29  1  0  0  0  0
 28 59  1  0  0  0  0
 29 60  1  0  0  0  0
M  END

$$$$
D0B7CW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.088  -0.682   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.088  -1.507   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.803  -1.920   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.517  -1.507   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.517  -0.682   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.803  -0.270   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       2.232  -0.270   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       2.946  -0.682   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.661  -0.270   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       4.375  -0.682   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       5.090  -0.270   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.232  -1.920   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1      -0.626  -0.270   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.840   0.527   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.664   0.570   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.959  -0.200   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.318  -0.719   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1      -2.756  -0.414   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.340   0.170   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.126   0.967   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.709   1.550   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.506   1.337   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.720   0.540   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.136  -0.044   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1      -5.090   1.920   0.000  1.00  0.00           F  
HETATM   26  F   UNL     1      -2.329   1.180   0.000  1.00  0.00           F  
HETATM   27  O   UNL     1      -0.256   1.110   0.000  1.00  0.00           O  
CONECT    1    2    6   13                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   12                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10                                                      
CONECT   12    4                                                      
CONECT   13    1   14   17                                            
CONECT   14   13   15   27                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   13                                                 
CONECT   18   16   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21   26                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22                                                      
CONECT   26   20                                                      
CONECT   27   14                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0B7FH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.287   0.735   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.704   0.152   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.907   0.365   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.694   1.162   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.277   1.745   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.074   1.532   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -3.084   0.521   0.000  1.00  0.00          Cl  
HETATM    8  N   UNL     1       0.103   1.375   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.687   0.792   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.484   1.006   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       0.473  -0.005   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1       2.067   0.422   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.938  -0.393   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.673  -0.767   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.256  -0.184   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.882   0.551   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.246  -0.842   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.289  -1.666   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       2.024  -2.040   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       2.716  -1.591   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       3.451  -1.966   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       0.511  -0.467   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.181  -0.917   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.138  -1.741   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.597  -2.115   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.657   2.115   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.451   1.902   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6   26    5    1                                            
CONECT    7    1                                                      
CONECT    8    4    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   12                                                 
CONECT   11    9                                                      
CONECT   12   10   13   16                                            
CONECT   13   12   14   17                                            
CONECT   14   13   15   20                                            
CONECT   15   14   16                                                 
CONECT   16   15   12                                                 
CONECT   17   13   18   22                                            
CONECT   18   17   19   25                                            
CONECT   19   18   20                                                 
CONECT   20   19   14   21                                            
CONECT   21   20                                                      
CONECT   22   17   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   18                                                 
CONECT   26   27    6                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0B7GQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.852   2.263   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.852   1.441   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.140   1.030   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.428   1.441   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.428   2.263   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.140   2.674   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.716   1.030   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.564   1.030   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.276   1.441   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1      -3.564   0.208   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.716   0.208   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.004  -0.203   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.708   0.208   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.708   1.030   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.004   1.441   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.004  -1.026   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.716  -1.437   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       0.708  -1.437   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.420  -1.026   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.132  -1.437   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.132  -2.262   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.847  -2.674   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.561  -2.262   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.561  -1.437   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.847  -1.024   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       4.276  -2.674   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4   11   15                                            
CONECT    8    2    9   10                                            
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11    7   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    7                                                 
CONECT   16   12   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0B7JY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.206   0.357   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.619   0.357   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.031   1.072   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.619   1.786   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.206   1.786   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.619   1.072   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.856   1.072   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.269   0.357   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       2.269   1.786   0.000  1.00  0.00           N  
HETATM   10  F   UNL     1       3.094   0.357   0.000  1.00  0.00           F  
HETATM   11  F   UNL     1       1.856  -0.357   0.000  1.00  0.00           F  
HETATM   12  F   UNL     1       2.681  -0.357   0.000  1.00  0.00           F  
HETATM   13  C   UNL     1      -1.444   1.072   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.856   0.357   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.681   0.357   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.094  -0.357   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.681  -1.072   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.856  -1.072   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.444  -0.357   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.094  -1.786   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.681  -2.501   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.919  -1.786   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.506  -2.501   0.000  1.00  0.00           C  
HETATM   24  S   UNL     1       3.094   1.786   0.000  1.00  0.00           S  
HETATM   25  O   UNL     1       3.506   2.501   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1       3.506   1.072   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       3.919   1.786   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   13                                            
CONECT    7    3    8    9                                            
CONECT    8    7   10   11   12                                       
CONECT    9    7   24                                                 
CONECT   10    8                                                      
CONECT   11    8                                                      
CONECT   12    8                                                      
CONECT   13    6   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21   22   23                                       
CONECT   21   20                                                      
CONECT   22   20                                                      
CONECT   23   20                                                      
CONECT   24    9   25   26   27                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0B7KM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786  -0.412   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.357  -2.062   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.357  -1.650   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.357  -0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.357  -0.412   0.000  1.00  0.00           C  
HETATM   11 CL   UNL     1      -3.215  -0.412   0.000  1.00  0.00          Cl  
HETATM   12  C   UNL     1      -1.786   0.412   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.072   0.825   0.000  1.00  0.00           N  
HETATM   14  O   UNL     1      -2.501   0.825   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.072   1.650   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.357   2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.357   1.650   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.072   2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.072   2.888   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.357   3.300   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.357   2.888   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.154   2.276   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1       1.072  -2.062   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.786   1.650   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.072  -2.888   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.786  -3.300   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.501  -2.888   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.501  -2.062   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.786  -1.650   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       3.215  -3.300   0.000  1.00  0.00           O  
CONECT    1    2    6   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   12                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   23                                            
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    1                                                      
CONECT   12    6   13   14                                            
CONECT   13   12   15                                                 
CONECT   14   12                                                      
CONECT   15   13   16                                                 
CONECT   16   15   17   21   22                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   24                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   16                                                      
CONECT   23    8   25   29                                            
CONECT   24   18                                                      
CONECT   25   23   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   23                                                 
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0B7KP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.259   0.563   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.259  -0.262   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.544  -0.674   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.830  -0.262   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.830   0.563   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.544   0.976   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.115  -0.674   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.401  -0.262   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.686  -0.674   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.028  -0.262   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.710  -0.727   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.498  -0.483   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.800   0.285   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.387   0.999   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.571   1.122   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.033   0.561   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.135  -1.007   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.831  -0.563   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.623   0.235   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1      -0.686  -1.499   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       3.545  -0.976   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       4.260  -0.563   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1       3.545  -1.801   0.000  1.00  0.00           O  
HETATM   24 CL   UNL     1      -3.544   1.801   0.000  1.00  0.00          Cl  
HETATM   25  C   UNL     1       4.974  -0.976   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       5.689  -0.563   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       5.689   0.262   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       4.974   0.674   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.260   0.262   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.788   0.151   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.139  -0.344   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.974  -0.674   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1      -4.562  -1.389   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -5.689  -1.087   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -5.387   0.040   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   32                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   24                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   20                                            
CONECT   10    9   11   16                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   19                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   10                                                 
CONECT   17   12   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   13                                                 
CONECT   20    9                                                      
CONECT   21   18   22   23                                            
CONECT   22   21   25   29                                            
CONECT   23   21                                                      
CONECT   24    6                                                      
CONECT   25   22   26   31                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   22   30                                            
CONECT   30   29   31                                                 
CONECT   31   30   25                                                 
CONECT   32    2   33   34   35                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0B7LR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.072   0.564   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.072  -0.262   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.357  -0.674   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.357  -0.262   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.357   0.564   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.357   0.976   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.071  -0.674   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.071  -1.499   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.786  -1.911   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.501  -1.499   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.501  -0.674   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.786  -0.262   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.357   1.801   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.357   2.213   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.357   3.038   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       1.071   1.801   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.786   2.213   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.357  -1.911   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.501   1.801   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.215   2.213   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.215   3.038   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.501   3.451   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.786   3.038   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.786   0.976   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.501   0.564   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.786   1.801   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.501   2.213   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.929   3.451   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.501  -0.262   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.215  -0.674   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.215  -1.499   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.501  -1.911   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.786  -1.499   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.786  -0.674   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1      -0.397  -1.576   0.000  1.00  0.00           N  
HETATM   36  N   UNL     1      -0.949  -2.189   0.000  1.00  0.00           N  
HETATM   37  N   UNL     1      -0.536  -2.904   0.000  1.00  0.00           N  
HETATM   38  N   UNL     1       0.271  -2.732   0.000  1.00  0.00           N  
HETATM   39  O   UNL     1      -2.501  -2.736   0.000  1.00  0.00           O  
HETATM   40  C   UNL     1      -3.215  -3.149   0.000  1.00  0.00           C  
HETATM   41  F   UNL     1      -3.628  -2.435   0.000  1.00  0.00           F  
HETATM   42  F   UNL     1      -3.929  -3.561   0.000  1.00  0.00           F  
HETATM   43  F   UNL     1      -2.803  -3.863   0.000  1.00  0.00           F  
HETATM   44  C   UNL     1      -2.501   3.038   0.000  1.00  0.00           C  
HETATM   45  F   UNL     1      -1.676   3.038   0.000  1.00  0.00           F  
HETATM   46  F   UNL     1      -2.501   3.863   0.000  1.00  0.00           F  
HETATM   47  F   UNL     1      -3.325   3.038   0.000  1.00  0.00           F  
CONECT    1    2    6   24                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   13                                            
CONECT    7    4    8   12                                            
CONECT    8    7    9   18                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    6   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17                                                 
CONECT   17   16   19   23                                            
CONECT   18    8   35   38                                            
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   28                                            
CONECT   22   21   23                                                 
CONECT   23   22   17                                                 
CONECT   24    1   25   26                                            
CONECT   25   24   29                                                 
CONECT   26   24   27                                                 
CONECT   27   26   44                                                 
CONECT   28   21                                                      
CONECT   29   25   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   39                                            
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   18   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   18                                                 
CONECT   39   32   40                                                 
CONECT   40   41   42   43   39                                       
CONECT   41   40                                                      
CONECT   42   40                                                      
CONECT   43   40                                                      
CONECT   44   45   46   47   27                                       
CONECT   45   44                                                      
CONECT   46   44                                                      
CONECT   47   44                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
M  END

$$$$
D0B7NS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -1.856   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.786  -2.269   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.072  -1.856   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072  -1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786  -0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.357  -0.619   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.357   0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.072   0.619   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.786   0.206   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.072   1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.072   2.269   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.357   1.856   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.786   1.856   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.357  -1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.357  -1.856   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.072  -2.269   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.786  -1.856   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.786  -1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.072  -0.619   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1       2.501  -2.269   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   10                                            
CONECT    7    5    8   15                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    6                                                 
CONECT   11    9   12   13   14                                       
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14   11                                                      
CONECT   15    7   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0B7VP
  -OEChem-09301911132D

 73 78  0     0  0  0  0  0  0999 V2000
    7.3038    2.8651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5717   -1.1349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2696    6.8060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4672   -4.1294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4890   -4.3374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4378   -2.6349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3038   -1.1349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1748    5.0322    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7809    5.8369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7057    4.3651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -3.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890   -3.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8900   -4.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0990   -2.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6582   -2.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5717   -3.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2103   -4.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0024   -5.7767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1614   -4.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1698    0.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3038   -0.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1698    1.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4378   -1.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3038    1.8651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4378    4.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4378    3.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7456   -6.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9045   -5.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4378    0.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6966   -6.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5717    4.8651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4378    1.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0637   -0.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0637    1.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7696    5.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5717    2.8651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9698    0.3443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9698    1.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1533    4.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4398   -6.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7057    3.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648   -2.6457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -3.1975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9352   -3.8789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2734   -4.2965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8252   -4.9779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5066   -4.4261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7156   -2.4371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1639   -1.7557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4824   -2.3075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5293   -2.1217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9747   -2.9449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4128   -5.9683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2903   -3.8831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8407   -1.4449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9008    0.0551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167   -7.0523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4942   -4.9671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9008    1.6751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0566   -0.7895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0566    2.5197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3669    6.2984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5717    2.2451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5055    0.0322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5055    1.6980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0254    4.2193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7599    4.6981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2811    5.4326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0249   -7.2667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9005   -7.2208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8546   -6.3452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1688    3.0551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  1 27  1  0  0  0  0
  2 24  2  0  0  0  0
  3 36  2  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 12  2  0  0  0  0
  6 17  1  0  0  0  0
  6 24  1  0  0  0  0
  6 53  1  0  0  0  0
  7 22  1  0  0  0  0
  7 24  1  0  0  0  0
  7 56  1  0  0  0  0
  8 26  1  0  0  0  0
  8 36  1  0  0  0  0
  8 40  1  0  0  0  0
  9 32  1  0  0  0  0
  9 36  1  0  0  0  0
  9 63  1  0  0  0  0
 10 32  2  0  0  0  0
 10 42  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 46  1  0  0  0  0
 14 47  1  0  0  0  0
 14 48  1  0  0  0  0
 15 49  1  0  0  0  0
 15 50  1  0  0  0  0
 15 51  1  0  0  0  0
 16 17  2  0  0  0  0
 16 52  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 28  1  0  0  0  0
 19 54  1  0  0  0  0
 20 29  2  0  0  0  0
 20 55  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 34  2  0  0  0  0
 22 30  2  0  0  0  0
 23 25  1  0  0  0  0
 23 35  2  0  0  0  0
 25 33  2  0  0  0  0
 26 27  2  0  0  0  0
 26 32  1  0  0  0  0
 27 37  1  0  0  0  0
 28 31  2  0  0  0  0
 28 58  1  0  0  0  0
 29 31  1  0  0  0  0
 29 59  1  0  0  0  0
 30 33  1  0  0  0  0
 30 57  1  0  0  0  0
 31 41  1  0  0  0  0
 33 60  1  0  0  0  0
 34 38  1  0  0  0  0
 34 61  1  0  0  0  0
 35 39  1  0  0  0  0
 35 62  1  0  0  0  0
 37 42  2  0  0  0  0
 37 64  1  0  0  0  0
 38 39  2  0  0  0  0
 38 65  1  0  0  0  0
 39 66  1  0  0  0  0
 40 67  1  0  0  0  0
 40 68  1  0  0  0  0
 40 69  1  0  0  0  0
 41 70  1  0  0  0  0
 41 71  1  0  0  0  0
 41 72  1  0  0  0  0
 42 73  1  0  0  0  0
M  END

$$$$
D0B8GA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.059  -0.288   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.059  -1.113   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.656  -1.525   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.370  -1.113   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.370  -0.288   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.656   0.125   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.843  -0.033   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.328  -0.700   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.843  -1.368   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.098   0.752   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.546   1.365   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.261   1.193   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.813   1.806   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.558   2.591   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.249   2.763   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.801   2.150   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.085   0.125   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.838  -0.211   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       3.391   0.402   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       2.978   1.117   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.171   0.945   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.010  -1.018   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.558   1.497   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.153  -0.700   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.566   0.014   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.391   0.014   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       0.655  -2.350   0.000  1.00  0.00           N1+
HETATM   28  O   UNL     1       1.369  -2.763   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.060  -2.763   0.000  1.00  0.00           O1-
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   27                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   17                                            
CONECT    6    5    1                                                 
CONECT    7    1    8   10                                            
CONECT    8    7    9   24                                            
CONECT    9    8    2                                                 
CONECT   10    7   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    5   18   21                                            
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   17   23                                            
CONECT   22   18                                                      
CONECT   23   21                                                      
CONECT   24    8   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25                                                      
CONECT   27    3   28   29                                            
CONECT   28   27                                                      
CONECT   29   27                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0B8IQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -5.001  -0.206   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.001  -1.031   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.287  -1.444   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.572  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.572  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.287   0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.858  -1.444   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.143  -1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.858   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.429   0.206   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.715  -0.206   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1      -1.429   1.031   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.000   0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.715  -0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.429   0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.429   1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.715   1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.000   1.031   0.000  1.00  0.00           C  
HETATM   20 CL   UNL     1      -0.715   1.444   0.000  1.00  0.00          Cl  
HETATM   21  C   UNL     1       2.143  -0.206   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.858   0.206   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.572  -0.206   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.287   0.206   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.001  -0.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       5.716   0.206   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       5.716   1.031   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.001   1.444   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.287   1.031   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.572  -1.031   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       4.287  -1.444   0.000  1.00  0.00           N  
HETATM   32  O   UNL     1       2.143  -1.031   0.000  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.429  -1.444   0.000  1.00  0.00           O  
HETATM   34 XX   UNL     1      -5.716  -1.444   0.000  1.00  0.00          Xx  
CONECT    1    2    6                                                 
CONECT    2    1    3   34                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   33                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12   13                                            
CONECT   12   11   14                                                 
CONECT   13   11                                                      
CONECT   14   12   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14   20                                            
CONECT   20   19                                                      
CONECT   21   16   22   32                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   30                                            
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   23   31                                                 
CONECT   31   30                                                      
CONECT   32   21                                                      
CONECT   33    8                                                      
CONECT   34    2                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END

$$$$

$$$$
D0B8OB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143  -2.601   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -3.426   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -3.839   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715  -3.426   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715  -2.601   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429  -2.189   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.756  -3.978   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -2.421  -4.732   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.601  -4.646   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.429  -1.364   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.143  -0.951   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.143  -0.126   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.858  -1.364   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1      -1.476   0.359   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.731   1.143   0.000  1.00  0.00           C  
HETATM   16  S   UNL     1      -2.556   1.143   0.000  1.00  0.00           S  
HETATM   17  C   UNL     1      -2.811   0.359   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.246   1.811   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.421   1.811   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1      -0.166   2.595   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.834   3.080   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.501   2.595   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.000  -2.189   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.715  -2.601   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.429  -2.189   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.429  -1.364   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.715  -0.951   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.000  -1.364   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.715  -0.126   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       1.429   0.286   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       2.143  -0.126   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.858   0.286   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.858   1.111   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.143   1.524   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.429   1.111   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.835   3.907   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1      -1.659   3.907   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1      -0.835   4.732   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1      -0.009   3.907   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   23                                            
CONECT    6    5    1   10                                            
CONECT    7    2    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    3                                                 
CONECT   10    6   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11   14   17                                            
CONECT   13   11                                                      
CONECT   14   12   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   36                                            
CONECT   22   21   18                                                 
CONECT   23    5   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   23                                                 
CONECT   29   27   30                                                 
CONECT   30   29   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
CONECT   36   21   37   38   39                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   36                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END

$$$$

$$$$

$$$$
D0B9ML
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.273   0.186   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.686   0.901   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.466   0.358   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.380   1.178   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.134   1.514   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.665   1.591   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.951   1.178   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.237   1.591   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.237   2.416   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.951   2.828   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.665   2.416   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -2.380   2.828   0.000  1.00  0.00          Cl  
HETATM   13  N   UNL     1       0.478   1.178   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.192   1.591   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.907   1.178   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.621   1.591   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.621   2.416   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.907   2.828   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.192   2.416   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.907   0.353   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.621  -0.059   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.336   0.353   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.336   1.178   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       4.050   1.591   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       4.765   1.178   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.621  -0.884   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       3.336  -1.297   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.609  -0.567   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.429  -0.654   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.765  -1.407   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.280  -2.075   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.459  -1.988   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.124  -1.235   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1      -4.615  -2.828   0.000  1.00  0.00           F  
CONECT    1    2    3   28                                            
CONECT    2    1    5                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    2                                                 
CONECT    6    4    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    6   12                                            
CONECT   12   11                                                      
CONECT   13    8   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17   23                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   15   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   16   24                                            
CONECT   24   23   25                                                 
CONECT   25   24                                                      
CONECT   26   21   27                                                 
CONECT   27   26                                                      
CONECT   28    1   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0B9TH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.724  -2.778   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.724  -3.603   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.009  -4.016   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.295  -3.603   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.295  -2.778   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.009  -2.366   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.580  -4.016   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.134  -3.603   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.849  -4.016   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.563  -3.603   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.563  -2.778   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.849  -2.366   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.134  -2.778   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       2.277  -2.366   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       2.277  -1.541   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.992  -1.128   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.992  -0.303   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       3.659   0.182   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.404   0.966   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.579   0.966   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.324   0.182   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.438  -2.366   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.009  -1.541   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.342  -1.056   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.597  -0.271   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.422  -0.271   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.677  -1.056   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.184   0.443   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.597   1.158   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.422   1.158   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.834   0.443   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.834   1.872   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.422   2.587   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1      -3.659   1.872   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1      -2.834   3.301   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1      -3.247   4.016   0.000  1.00  0.00           N  
CONECT    1    2    6   22                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   23                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   17                                                 
CONECT   22    1                                                      
CONECT   23    6   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27   31                                            
CONECT   27   26   23                                                 
CONECT   28   25   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30   26                                                 
CONECT   32   30   33   34                                            
CONECT   33   32   35                                                 
CONECT   34   32                                                      
CONECT   35   33   36                                                 
CONECT   36   35                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0B9TI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.650  -0.715   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.825  -0.715   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.412   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.825   0.715   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.650   0.715   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.062   0.000   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.888   0.000   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.300  -0.715   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.125  -0.715   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.537  -1.429   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -3.300   0.715   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.412   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.825  -0.715   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.650  -0.715   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.062   0.000   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.650   0.715   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.825   0.715   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.888   0.000   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.300   0.715   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.125   0.715   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       4.537   1.429   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1       3.300  -0.715   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       5.362   1.429   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.125   2.143   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.362  -1.429   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.125  -2.143   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   12                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   25   26                                            
CONECT   11    7                                                      
CONECT   12    3   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   23   24                                            
CONECT   22   18                                                      
CONECT   23   21                                                      
CONECT   24   21                                                      
CONECT   25   10                                                      
CONECT   26   10                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0BA5J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.696  -0.961   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.696  -1.786   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       2.410  -2.199   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       3.125  -1.786   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       3.125  -0.961   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.410  -0.549   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1       0.911  -0.706   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1       0.426  -1.374   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.911  -2.041   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.399  -1.374   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.811  -0.659   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.636  -0.659   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.049  -1.374   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.636  -2.088   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.811  -2.088   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.874  -1.374   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.410   0.276   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       3.125   0.689   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.839   0.276   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.554   0.689   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.554   1.514   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.839   1.926   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.125   1.514   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.286  -0.659   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.874   0.055   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.286   0.770   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.111   0.770   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.524   0.055   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.111  -0.659   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       5.268   1.926   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       5.982   1.514   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       6.697   1.926   0.000  1.00  0.00           N  
HETATM   33  O   UNL     1       5.982   0.689   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1       7.411   1.514   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       7.824   0.799   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       8.236   1.514   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.349   0.055   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1      -5.761  -0.659   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1      -5.761   0.770   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.586   0.770   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.999   1.484   0.000  1.00  0.00           C  
HETATM   42  N   UNL     1      -7.824   1.484   0.000  1.00  0.00           N  
HETATM   43  C   UNL     1      -8.236   2.199   0.000  1.00  0.00           C  
HETATM   44  F   UNL     1       3.839  -0.549   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   17                                            
CONECT    7    1    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   24                                                 
CONECT   17    6   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20   44                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   30                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   16   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   37                                            
CONECT   29   28   24                                                 
CONECT   30   21   31                                                 
CONECT   31   30   32   33                                            
CONECT   32   31   34                                                 
CONECT   33   31                                                      
CONECT   34   32   35   36                                            
CONECT   35   34   36                                                 
CONECT   36   35   34                                                 
CONECT   37   28   38   39                                            
CONECT   38   37                                                      
CONECT   39   37   40                                                 
CONECT   40   39   41                                                 
CONECT   41   40   42                                                 
CONECT   42   41   43                                                 
CONECT   43   42                                                      
CONECT   44   19                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
M  END

$$$$
D0BB2F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.358  -0.067   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.272  -0.887   0.000  1.00  0.00           N  
HETATM    3  N   UNL     1      -0.465  -1.059   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.052  -0.345   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.604   0.269   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.885  -1.440   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.669  -1.185   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.282  -1.737   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.111  -2.544   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.326  -2.799   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.713  -2.247   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -0.928  -2.502   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1      -0.318   1.075   0.000  1.00  0.00           C  
HETATM   14 CL   UNL     1      -3.724  -3.096   0.000  1.00  0.00          Cl  
HETATM   15  C   UNL     1       0.768  -0.258   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       1.321  -0.871   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       2.074  -0.536   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.988   0.285   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1       1.181   0.456   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.072   0.345   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.072   1.171   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.787   1.583   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.501   1.171   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.501   0.345   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.787  -0.067   0.000  1.00  0.00           C  
HETATM   26 CL   UNL     1      -4.216   1.583   0.000  1.00  0.00          Cl  
HETATM   27  N   UNL     1      -0.730   1.790   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -0.395   2.544   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -1.008   3.096   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -1.722   2.683   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -1.551   1.876   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       2.789  -0.948   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.205  -1.532   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.789  -2.115   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.372  -1.532   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.501  -0.534   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1       3.089   0.180   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1       4.216  -0.121   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1       3.914  -1.248   0.000  1.00  0.00           F  
CONECT    1    2    5   20                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   15                                            
CONECT    5    4    1   13                                            
CONECT    6    2    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10    6   12                                            
CONECT   12   11                                                      
CONECT   13    5   27                                                 
CONECT   14    9                                                      
CONECT   15    4   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   32                                            
CONECT   18   17   19                                                 
CONECT   19   18   15                                                 
CONECT   20    1   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23                                                      
CONECT   27   13   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   27                                                 
CONECT   32   17   33   35   36                                       
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   32                                                 
CONECT   36   32   37   38   39                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   36                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0BB4J
  -OEChem-09301911102D

 12 11  0     0  0  0  0  0  0999 V2000
    2.5369    0.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 12  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
M  END

$$$$
D0BD3M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.126   0.263   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.641  -0.405   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.144  -0.150   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.144   0.675   0.000  1.00  0.00           C  
HETATM    5  S   UNL     1      -0.641   0.930   0.000  1.00  0.00           S  
HETATM    6  C   UNL     1       0.788  -0.664   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.593  -0.481   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.950   0.263   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.593   1.006   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.788   1.189   0.000  1.00  0.00           C  
HETATM   11 BR   UNL     1      -1.950   0.263   0.000  1.00  0.00          Br  
HETATM   12 CL   UNL     1      -0.896  -1.189   0.000  1.00  0.00          Cl  
CONECT    1    2    5   11                                            
CONECT    2    1    3   12                                            
CONECT    3    2    4    6                                            
CONECT    4    3    5   10                                            
CONECT    5    4    1                                                 
CONECT    6    3    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    1                                                      
CONECT   12    2                                                      
MASTER        0    0    0    0    0    0    0    0   12    0   12    0
END
M  END

$$$$
D0BE9U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.982   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.982   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       3.697  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       4.411   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       4.411   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.697   1.444   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.697  -1.031   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       4.411  -1.444   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       4.411  -2.269   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       5.126  -2.681   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.697  -2.681   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.268   1.444   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.554   1.031   0.000  1.00  0.00           N  
HETATM   14  O   UNL     1       2.268   2.269   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       0.839   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.839   2.269   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.124   2.681   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.590   2.269   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.590   1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.124   1.031   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.304   1.031   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.304   2.681   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.518   0.234   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.288  -0.061   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1      -2.245  -0.885   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.448  -1.099   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.999  -0.407   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.152  -1.869   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.980   0.388   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.980   1.213   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -3.695   1.625   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1      -4.409   1.213   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1      -4.409   0.388   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.695  -0.025   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1      -5.123  -0.025   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1      -5.838   0.388   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       5.123   1.444   0.000  1.00  0.00           C  
HETATM   38  F   UNL     1       4.711   2.158   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1       5.838   1.856   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1       5.536   0.729   0.000  1.00  0.00           F  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   37                                            
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9                                                      
CONECT   11    9                                                      
CONECT   12    1   13   14                                            
CONECT   13   12   15                                                 
CONECT   14   12                                                      
CONECT   15   13   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20   21                                            
CONECT   20   19   15                                                 
CONECT   21   19   23                                                 
CONECT   22   18                                                      
CONECT   23   21   24   27                                            
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   23                                                 
CONECT   28   26                                                      
CONECT   29   24   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   35                                            
CONECT   34   33   29                                                 
CONECT   35   33   36                                                 
CONECT   36   35                                                      
CONECT   37    5   38   39   40                                       
CONECT   38   37                                                      
CONECT   39   37                                                      
CONECT   40   37                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0BH7X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.059  -0.494   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.059  -1.319   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.656  -1.731   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.370  -1.319   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.370  -0.494   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.656  -0.081   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.843  -0.239   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.328  -0.906   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.843  -1.574   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.098   0.546   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.546   1.159   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.261   0.987   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.813   1.600   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.558   2.385   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.249   2.556   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.801   1.943   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.085  -0.081   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.838  -0.417   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       3.391   0.196   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       2.978   0.911   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.171   0.739   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.010  -1.224   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.558   1.291   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.153  -0.906   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1       0.656  -2.556   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.566  -0.192   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.391  -0.192   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   25                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   17                                            
CONECT    6    5    1                                                 
CONECT    7    1    8   10                                            
CONECT    8    7    9   24                                            
CONECT    9    8    2                                                 
CONECT   10    7   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    5   18   21                                            
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   17   23                                            
CONECT   22   18                                                      
CONECT   23   21                                                      
CONECT   24    8   26                                                 
CONECT   25    3                                                      
CONECT   26   24   27                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0BI0F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.501   1.171   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.501   0.345   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.787  -0.067   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.072   0.345   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.072   1.171   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.787   1.583   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.358  -0.067   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.272  -0.887   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.465  -1.059   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.052  -0.345   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.604   0.269   0.000  1.00  0.00           C  
HETATM   12 BR   UNL     1      -4.216   1.583   0.000  1.00  0.00          Br  
HETATM   13  C   UNL     1      -1.885  -1.440   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.669  -1.185   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.282  -1.737   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.111  -2.544   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.326  -2.799   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.713  -2.247   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -0.928  -2.502   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1      -0.432   1.075   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1      -3.724  -3.096   0.000  1.00  0.00          Cl  
HETATM   22  C   UNL     1       0.768  -0.258   0.000  1.00  0.00           C  
HETATM   23  S   UNL     1       1.321  -0.871   0.000  1.00  0.00           S  
HETATM   24  C   UNL     1       2.074  -0.536   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       1.988   0.285   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1       1.181   0.456   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.789  -0.948   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.845   1.790   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1      -0.509   2.544   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -1.123   3.096   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -1.837   2.683   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1      -1.665   1.876   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.205  -1.532   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.789  -2.115   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.372  -1.532   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.501  -0.534   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1       3.089   0.180   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1       4.216  -0.121   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1       3.914  -1.248   0.000  1.00  0.00           F  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   22                                            
CONECT   11   10    7   20                                            
CONECT   12    1                                                      
CONECT   13    8   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   13   19                                            
CONECT   19   18                                                      
CONECT   20   11   28                                                 
CONECT   21   16                                                      
CONECT   22   10   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   22                                                 
CONECT   27   24   33   35   36                                       
CONECT   28   20   29   32                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   28                                                 
CONECT   33   27   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   27                                                 
CONECT   36   27   37   38   39                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   36                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0BI1O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -8.907   1.434   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -9.621   1.022   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.192   1.022   0.000  1.00  0.00           C  
HETATM    4  O   UNL     1      -7.478   1.434   0.000  1.00  0.00           O  
HETATM    5  O   UNL     1      -8.192   0.197   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1      -6.763   1.022   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.242   0.382   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.487   0.716   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.668   0.619   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -5.189   1.258   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.944   0.925   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.189   2.083   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.487   1.541   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.202   1.954   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.954   1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.239   0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1     -10.336   1.434   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1     -11.050   1.022   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1     -11.050   0.197   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1     -10.336  -0.216   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.621   0.197   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1     -10.336   2.259   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1     -11.050   2.672   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1     -10.336  -1.041   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.525   1.031   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.810   0.619   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.096   1.031   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.381   0.619   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       0.333   1.031   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       1.048   0.619   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.762   1.031   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.476   0.619   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.191   1.031   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.191   1.856   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.476   2.269   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       1.762   1.856   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1       3.905   2.269   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1       4.620   1.856   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       5.334   2.269   0.000  1.00  0.00           C  
HETATM   40  N   UNL     1       6.049   1.856   0.000  1.00  0.00           N  
HETATM   41  O   UNL     1       5.334   3.094   0.000  1.00  0.00           O  
HETATM   42  C   UNL     1       6.049   1.031   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       6.763   0.619   0.000  1.00  0.00           C  
HETATM   44  N   UNL     1       7.478   1.031   0.000  1.00  0.00           N  
HETATM   45  C   UNL     1       7.478   1.856   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1       6.763   2.269   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1       8.192   0.619   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1       8.192  -0.206   0.000  1.00  0.00           C  
HETATM   49  N   UNL     1       7.478  -0.619   0.000  1.00  0.00           N  
HETATM   50  C   UNL     1       7.478  -1.444   0.000  1.00  0.00           C  
HETATM   51  C   UNL     1       8.192  -1.856   0.000  1.00  0.00           C  
HETATM   52  C   UNL     1       8.907  -1.444   0.000  1.00  0.00           C  
HETATM   53  N   UNL     1       8.907  -0.619   0.000  1.00  0.00           N  
HETATM   54  C   UNL     1       9.621  -0.206   0.000  1.00  0.00           C  
HETATM   55  C   UNL     1       6.763  -1.856   0.000  1.00  0.00           C  
HETATM   56  C   UNL     1       6.763  -2.681   0.000  1.00  0.00           C  
HETATM   57  C   UNL     1       7.478  -3.094   0.000  1.00  0.00           C  
HETATM   58  C   UNL     1       8.192  -2.681   0.000  1.00  0.00           C  
HETATM   59  O   UNL     1       9.621  -1.856   0.000  1.00  0.00           O  
HETATM   60  C   UNL     1      10.336  -0.619   0.000  1.00  0.00           C  
HETATM   61  C   UNL     1      11.050  -0.206   0.000  1.00  0.00           C  
HETATM   62  C   UNL     1      11.050   0.619   0.000  1.00  0.00           C  
HETATM   63  C   UNL     1      10.336   1.031   0.000  1.00  0.00           C  
HETATM   64  C   UNL     1       9.621   0.619   0.000  1.00  0.00           C  
HETATM   65  O   UNL     1       8.907   1.031   0.000  1.00  0.00           O  
HETATM   66  C   UNL     1       8.907   1.856   0.000  1.00  0.00           C  
HETATM   67  C   UNL     1       9.621   2.269   0.000  1.00  0.00           C  
CONECT    1    2    3                                                 
CONECT    2    1   17   21                                            
CONECT    3    1    4    5                                            
CONECT    4    3    6                                                 
CONECT    5    3                                                      
CONECT    6    4    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10   15                                            
CONECT   10    9   11   12                                            
CONECT   11   10    6                                                 
CONECT   12   10   14                                                 
CONECT   13    8   14                                                 
CONECT   14   13   12                                                 
CONECT   15    9   16                                                 
CONECT   16   15   25                                                 
CONECT   17    2   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20    2                                                 
CONECT   22   17   23                                                 
CONECT   23   22                                                      
CONECT   24   20                                                      
CONECT   25   16   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   37                                            
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
CONECT   37   34   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40   41                                            
CONECT   40   39   42   46                                            
CONECT   41   39                                                      
CONECT   42   40   43                                                 
CONECT   43   42   44                                                 
CONECT   44   43   45   47                                            
CONECT   45   44   46                                                 
CONECT   46   45   40                                                 
CONECT   47   44   48                                                 
CONECT   48   47   49   53                                            
CONECT   49   48   50                                                 
CONECT   50   49   51   55                                            
CONECT   51   50   52   58                                            
CONECT   52   51   53   59                                            
CONECT   53   52   48   54                                            
CONECT   54   53   60   64                                            
CONECT   55   50   56                                                 
CONECT   56   55   57                                                 
CONECT   57   56   58                                                 
CONECT   58   57   51                                                 
CONECT   59   52                                                      
CONECT   60   54   61                                                 
CONECT   61   60   62                                                 
CONECT   62   61   63                                                 
CONECT   63   62   64                                                 
CONECT   64   63   54   65                                            
CONECT   65   64   66                                                 
CONECT   66   65   67                                                 
CONECT   67   66                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
M  END

$$$$
D0BI5I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.490   1.813   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.490   0.988   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.274   0.733   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.759   1.401   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.274   2.068   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.225   2.226   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.939   1.813   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.939   0.988   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.225   0.576   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -1.654   0.576   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.407   0.911   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.959   0.298   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.547  -0.416   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.740  -0.245   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.127  -0.797   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.539  -1.511   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.127  -2.226   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.302  -2.226   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.111  -1.511   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.302  -0.797   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.529  -0.051   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       0.977  -0.664   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1       2.336  -0.223   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       2.591  -1.008   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.420  -1.815   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.204  -1.560   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.204   1.125   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.407   1.736   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1       0.936  -1.511   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -2.364  -1.511   0.000  1.00  0.00           F  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   21                                            
CONECT    4    3    5                                                 
CONECT    5    4    1                                                 
CONECT    6    1    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   11   14                                            
CONECT   11   10   12   27   28                                       
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10   15                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17   30                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   29                                            
CONECT   20   19   15                                                 
CONECT   21    3   22   23                                            
CONECT   22   21                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   26                                                 
CONECT   26   25   24                                                 
CONECT   27   11                                                      
CONECT   28   11                                                      
CONECT   29   19                                                      
CONECT   30   16                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0BJ2X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930   1.423   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930   0.598   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215   0.185   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501   0.598   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501   1.423   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215   1.835   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -3.215   2.660   0.000  1.00  0.00           F  
HETATM    8  F   UNL     1      -4.644   1.835   0.000  1.00  0.00           F  
HETATM    9  F   UNL     1      -3.215  -0.640   0.000  1.00  0.00           F  
HETATM   10  C   UNL     1      -1.786   0.185   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.072   0.598   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.357   0.185   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.072   1.423   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.357   0.598   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       1.072   0.185   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1       0.357   1.423   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.072  -0.640   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.786  -1.052   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.501  -0.640   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.501   0.185   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.786   0.598   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.459  -1.192   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.794  -1.946   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       1.615  -1.859   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       0.382  -2.660   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.215   0.598   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       3.930   0.185   0.000  1.00  0.00           N  
HETATM   28  O   UNL     1       3.215   1.423   0.000  1.00  0.00           O  
HETATM   29  N   UNL     1       4.644   0.598   0.000  1.00  0.00           N  
CONECT    1    2    6    8                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    9                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    1                                                      
CONECT    9    3                                                      
CONECT   10    4   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11   14                                                 
CONECT   13   11                                                      
CONECT   14   12   15   16                                            
CONECT   15   14   17   21                                            
CONECT   16   14                                                      
CONECT   17   15   18   22                                            
CONECT   18   17   19   24                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   26                                            
CONECT   21   20   15                                                 
CONECT   22   17   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   18                                                 
CONECT   25   23                                                      
CONECT   26   20   27   28                                            
CONECT   27   26   29                                                 
CONECT   28   26                                                      
CONECT   29   27                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0BJ3R
  -OEChem-09301911192D

 52 55  0     1  0  0  0  0  0999 V2000
   10.0773    3.3479    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7010   -2.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9961    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.3453    5.3479    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3453    4.3479    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.3453    4.3479    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8920   -2.5878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5100   -1.4122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1132   -1.1910    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.6132    1.3479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2888   -2.8090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7888   -4.3479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042   -0.2399    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6132    0.3479    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1132   -1.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4223   -0.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8532    0.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4793    1.8479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1100   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    1.0472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2888   -2.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590   -0.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    1.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9798   -3.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4793    2.8479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3453    1.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3453    3.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5978   -3.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2113    1.8479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2113    2.8479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7888   -5.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3453    4.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3658   -0.6783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1657    0.6293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5068   -1.3199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1780   -1.8076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9887   -0.4921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7323    0.2970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0763    1.6579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2389   -1.2065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1060    1.4621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6982   -0.7059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5653    1.9627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3901   -3.9517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9423    3.1579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3453    0.7279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1875   -3.9517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7482    1.5379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1688   -5.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7888   -5.9679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4088   -5.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
  2  7  2  0  0  0  0
  2  8  2  0  0  0  0
  2  9  1  0  0  0  0
  2 21  1  0  0  0  0
  3 27  1  0  0  0  0
  4 33  1  0  0  0  0
  5 33  1  0  0  0  0
  6 33  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 14 10  1  1  0  0  0
 10 18  1  0  0  0  0
 10 40  1  0  0  0  0
 11 21  1  0  0  0  0
 11 29  2  0  0  0  0
 12 24  1  0  0  0  0
 12 29  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  1  6  0  0  0
 13 34  1  0  0  0  0
 14 16  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 25  2  0  0  0  0
 18 26  1  0  0  0  0
 19 22  1  0  0  0  0
 19 41  1  0  0  0  0
 20 23  2  0  0  0  0
 20 42  1  0  0  0  0
 21 24  2  0  0  0  0
 22 27  2  0  0  0  0
 22 43  1  0  0  0  0
 23 27  1  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 28  1  0  0  0  0
 25 46  1  0  0  0  0
 26 30  2  0  0  0  0
 26 47  1  0  0  0  0
 28 31  2  0  0  0  0
 28 33  1  0  0  0  0
 29 48  1  0  0  0  0
 30 31  1  0  0  0  0
 30 49  1  0  0  0  0
 32 50  1  0  0  0  0
 32 51  1  0  0  0  0
 32 52  1  0  0  0  0
M  END

$$$$
D0BJ6M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.492  -0.760   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.492  -1.585   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.778  -1.998   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.063  -1.585   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.063  -0.760   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.778  -0.347   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.778  -2.822   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.492  -3.235   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.492  -4.060   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.778  -4.473   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.063  -4.060   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.063  -3.235   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.349  -0.347   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.634  -0.760   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.634  -1.585   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.920  -1.998   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.205  -1.585   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.205  -0.760   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.920  -0.347   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.349  -1.998   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.509  -0.347   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.224  -0.760   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1       0.509   0.477   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       1.938  -0.347   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.652  -0.760   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.367  -0.347   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.367   0.477   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.652   0.890   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.938   0.477   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       2.652   1.715   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       3.320   2.200   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.065   2.985   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       2.240   2.985   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1       1.985   2.200   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.550   3.652   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.303   3.988   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.636   4.473   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       4.080  -0.757   0.000  1.00  0.00           C  
HETATM   39  F   UNL     1       3.667  -1.472   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1       3.365  -0.345   0.000  1.00  0.00           F  
HETATM   41  F   UNL     1       4.492  -0.043   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   13                                            
CONECT    6    5    1                                                 
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    5   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   14                                                 
CONECT   20   15                                                      
CONECT   21   18   22   23                                            
CONECT   22   21   24                                                 
CONECT   23   21                                                      
CONECT   24   22   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   38                                            
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28   24                                                 
CONECT   30   28   31   34                                            
CONECT   31   30   32                                                 
CONECT   32   31   33   35                                            
CONECT   33   32   34                                                 
CONECT   34   33   30                                                 
CONECT   35   32   36   37                                            
CONECT   36   35   37                                                 
CONECT   37   36   35                                                 
CONECT   38   26   39   40   41                                       
CONECT   39   38                                                      
CONECT   40   38                                                      
CONECT   41   38                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D0BK2I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429   2.062   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.429   1.238   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.715   0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000   1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.000   2.062   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.715   2.475   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -2.143   2.475   0.000  1.00  0.00          Cl  
HETATM    8  N   UNL     1      -0.715   0.000   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.715   0.000   0.000  1.00  0.00           C  
HETATM   11  F   UNL     1      -0.715   3.300   0.000  1.00  0.00           F  
HETATM   12  C   UNL     1       0.000  -1.238   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.429   0.412   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.715  -1.650   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.715  -2.475   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.000  -2.888   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.715  -2.475   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.715  -1.650   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.429  -1.238   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       1.429  -2.888   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.143  -3.300   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   11                                            
CONECT    7    1                                                      
CONECT    8    3    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   13                                                 
CONECT   11    6                                                      
CONECT   12    9   14   18                                            
CONECT   13   10                                                      
CONECT   14   12   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   12   19                                            
CONECT   19   18                                                      
CONECT   20   17   21                                                 
CONECT   21   20                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0BK5N
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       3.945   0.405   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       3.691  -0.377   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.887  -0.548   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       2.337   0.063   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.591   0.845   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.395   1.016   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.514   0.063   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.260   0.845   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.926   1.328   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.964  -0.548   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.160  -0.377   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.094   0.405   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.456   1.016   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.390  -0.988   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.194  -0.817   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.775  -1.399   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.570  -1.186   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.926   2.150   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       2.638   2.561   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1       1.214   2.561   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.136  -1.770   0.000  1.00  0.00           O  
HETATM   22  N   UNL     1      -3.151  -1.767   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.945  -1.554   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.938  -2.561   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9   13                                            
CONECT    9    8    5   18                                            
CONECT   10    7   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15   21                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   22                                                 
CONECT   18    9   19   20                                            
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   14                                                      
CONECT   22   17   23   24                                            
CONECT   23   22                                                      
CONECT   24   22                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0BK6R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.133  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.133  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.848  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.562  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.562  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.848   0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       3.277   0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.419   0.206   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.296  -0.206   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1       0.419   1.031   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.010   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.010   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.725   1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.439   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.439   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.725  -0.206   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.154   1.444   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.868   1.031   0.000  1.00  0.00           C  
HETATM   19  F   UNL     1      -4.582   1.444   0.000  1.00  0.00           F  
HETATM   20  F   UNL     1      -4.451   0.448   0.000  1.00  0.00           F  
HETATM   21  F   UNL     1      -3.455   0.317   0.000  1.00  0.00           F  
HETATM   22  C   UNL     1       3.277  -1.444   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.030  -0.129   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.582   0.484   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       4.170   1.198   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       3.363   1.027   0.000  1.00  0.00           C  
CONECT    1    2    6    8                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   22                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5   23   26                                            
CONECT    8    1    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19   20   21                                       
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   18                                                      
CONECT   22    4                                                      
CONECT   23    7   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25    7                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0BL3X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.868  -1.321   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.868  -2.146   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.154  -2.559   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.439  -2.146   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.439  -1.321   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.154  -0.909   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.725  -0.909   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.010  -1.321   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.296  -0.909   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.296  -0.084   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.010   0.329   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.725  -0.084   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.419   0.329   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.133  -0.084   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.419   1.154   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.296   1.566   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.133   1.566   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.419   1.979   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.848   1.154   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       1.133   2.391   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.562   1.566   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.316   1.231   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.868   1.844   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.455   2.559   0.000  1.00  0.00           C  
HETATM   25  S   UNL     1       2.649   2.387   0.000  1.00  0.00           S  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   16   17   18                                       
CONECT   16   15                                                      
CONECT   17   15   19   20                                            
CONECT   18   15                                                      
CONECT   19   17   21                                                 
CONECT   20   17                                                      
CONECT   21   19   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0BL4H
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287   0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287  -0.206   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.572  -0.619   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.858  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858   0.619   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.572   1.031   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.143  -0.619   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.429  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.429   0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.143   1.031   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -5.001  -0.619   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -5.716  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.430  -0.619   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -6.430  -1.444   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -5.716  -1.856   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.001  -1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.714  -0.619   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.714  -1.444   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       0.000  -0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.714  -0.619   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.429  -0.206   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.429   0.619   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.714   1.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.000   0.619   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1       0.714   1.856   0.000  1.00  0.00           F  
HETATM   26  N   UNL     1       2.143  -0.619   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.858  -0.206   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       3.572  -0.619   0.000  1.00  0.00           N  
HETATM   29  O   UNL     1       2.858   0.619   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       4.287  -0.206   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.001  -0.619   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.716  -0.206   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       5.716   0.619   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       5.001   1.031   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.287   0.619   0.000  1.00  0.00           C  
HETATM   36 CL   UNL     1       6.430   1.031   0.000  1.00  0.00          Cl  
HETATM   37  F   UNL     1       6.430  -0.619   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   17                                            
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    2   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    8   18   19                                            
CONECT   18   17                                                      
CONECT   19   17   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   19                                                 
CONECT   25   23                                                      
CONECT   26   21   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   30                                                 
CONECT   29   27                                                      
CONECT   30   28   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33   37                                            
CONECT   33   32   34   36                                            
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
CONECT   36   33                                                      
CONECT   37   32                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0BL8W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -1.572   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -2.397   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -2.809   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -2.397   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072  -1.572   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786  -1.159   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -3.215  -2.809   0.000  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -0.357  -1.159   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.786  -0.335   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.072   0.078   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -2.501   0.078   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.072   0.903   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.357  -2.809   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.357  -3.635   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.357  -2.397   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.072  -2.809   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.786  -2.397   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.786  -1.572   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.072  -1.159   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.357  -1.572   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.501  -1.159   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       3.215  -1.572   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.501  -0.335   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.357  -4.047   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.357   1.315   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.396   0.980   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       0.949   1.593   0.000  1.00  0.00           N  
HETATM   28  N   UNL     1       0.536   2.308   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.271   2.136   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.872   3.061   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -0.884   2.688   0.000  1.00  0.00           N  
HETATM   32  O   UNL     1       0.568   0.173   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -0.713   3.495   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.326   4.047   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.110   3.792   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.282   2.985   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.669   2.433   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1    9                                            
CONECT    7    2                                                      
CONECT    8    5                                                      
CONECT    9    6   10   11                                            
CONECT   10    9   12                                                 
CONECT   11    9                                                      
CONECT   12   10   25                                                 
CONECT   13    4   14   15                                            
CONECT   14   13   24                                                 
CONECT   15   13   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22   23                                            
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24   14                                                      
CONECT   25   12   26   29                                            
CONECT   26   25   27   32                                            
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28   25   31                                            
CONECT   30   28                                                      
CONECT   31   29   33   37                                            
CONECT   32   26                                                      
CONECT   33   31   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   31                                                 
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0BN4A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.909  -0.619   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.909  -1.444   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.195  -1.856   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.480  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.480  -0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.195  -0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.766  -1.856   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.051  -1.444   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.051  -0.619   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.766  -0.206   0.000  1.00  0.00           C  
HETATM   11  H   UNL     1      -2.349   0.377   0.000  1.00  0.00           H  
HETATM   12  H   UNL     1      -1.182   0.377   0.000  1.00  0.00           H  
HETATM   13  O   UNL     1      -0.337  -1.856   0.000  1.00  0.00           O  
HETATM   14  H   UNL     1      -1.766  -2.681   0.000  1.00  0.00           H  
HETATM   15  H   UNL     1      -4.624  -1.856   0.000  1.00  0.00           H  
HETATM   16  C   UNL     1      -0.337  -0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.378  -0.619   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.092  -0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.092   0.619   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.378   1.031   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.337   0.619   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.807  -0.619   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.603  -0.405   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       2.603   0.420   0.000  1.00  0.00           O  
HETATM   25  N   UNL     1       3.318  -0.818   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       3.404  -1.638   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.211  -1.810   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.624  -1.095   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       4.072  -0.482   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       0.378   1.856   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       1.092   2.269   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -0.337   2.269   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       0.378   2.681   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   15                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   14                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10   16                                            
CONECT   10    9    5   11   12                                       
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13    8                                                      
CONECT   14    7                                                      
CONECT   15    2                                                      
CONECT   16    9   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   30                                            
CONECT   21   20   16                                                 
CONECT   22   18   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23                                                      
CONECT   25   23   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   25                                                 
CONECT   30   20   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0BN7S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.220   1.031   0.000  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.505   1.444   0.000  1.00  0.00           O  
HETATM    3  C   UNL     1       0.209   1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.423   0.234   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.220   0.448   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       1.006   1.245   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.934   0.035   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.649   0.448   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1       1.934  -0.790   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       3.363   0.035   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.934   1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.649   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.649   0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.934  -0.206   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.220   0.206   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.363  -0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.078   0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.792  -0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.792  -1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.078  -1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.363  -1.031   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.363  -0.790   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1       4.078  -1.202   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       4.792  -0.790   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.792   0.035   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.078   0.448   0.000  1.00  0.00           C  
CONECT    1    2   11   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    3                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   22   26                                            
CONECT   11    1   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14    1                                                 
CONECT   16   13   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   10   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   10                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0BN9E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.922  -0.208   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.922  -1.033   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.208  -1.445   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.493  -1.033   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.493  -0.208   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.208   0.205   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.779  -1.445   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.064  -1.033   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.064  -0.208   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.779   0.205   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.350   0.205   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.350   1.030   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.064   1.442   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.779   1.030   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.435  -0.050   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.920   0.617   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.435   1.285   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.636  -1.445   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.779  -2.270   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.350  -1.445   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.064  -2.683   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.690   2.070   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.138   2.683   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.497   2.241   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.049   1.628   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.493   0.617   0.000  1.00  0.00           C  
HETATM   27  H   UNL     1      -2.493  -1.858   0.000  1.00  0.00           H  
HETATM   28  C   UNL     1      -0.263   1.850   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       2.856   1.799   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       3.653   1.586   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       3.866   0.789   0.000  1.00  0.00           N  
HETATM   32  O   UNL     1       4.236   2.169   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       3.347   0.148   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.796  -0.544   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.593  -0.331   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.636   0.493   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1       3.501  -1.314   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7   27                                       
CONECT    5    4    6   10   26                                       
CONECT    6    5    1                                                 
CONECT    7    4    8   19                                            
CONECT    8    7    9   20                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12   15                                            
CONECT   12   11   13   17   28                                       
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   22                                            
CONECT   18    2                                                      
CONECT   19    7   21                                                 
CONECT   20    8                                                      
CONECT   21   19                                                      
CONECT   22   17   23   24                                            
CONECT   23   22                                                      
CONECT   24   22   25                                                 
CONECT   25   24   29                                                 
CONECT   26    5                                                      
CONECT   27    4                                                      
CONECT   28   12                                                      
CONECT   29   25   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30   33   36                                            
CONECT   32   30                                                      
CONECT   33   31   34                                                 
CONECT   34   33   35   37                                            
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0BO1H
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.469  -0.199   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.245   0.214   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.960  -0.199   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.674   0.214   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.389  -0.199   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       3.103   0.214   0.000  1.00  0.00           N  
HETATM    7  O   UNL     1       1.674   1.039   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       3.857  -0.122   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       4.409   0.491   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.996   1.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.189   1.034   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       4.251   1.990   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.699   2.603   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.892   2.432   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.637   1.647   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.112  -0.906   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       4.919  -1.078   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       5.471  -0.465   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       5.216   0.320   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.699  -1.621   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.251  -2.234   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       5.005  -1.898   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1      -1.184   0.214   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.898  -0.199   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.898  -1.024   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.184  -1.436   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.469  -1.024   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.613  -1.436   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.327  -1.024   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.042  -1.436   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.042  -2.261   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.327  -2.674   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.613  -2.261   0.000  1.00  0.00           C  
HETATM   34  S   UNL     1      -4.756  -2.674   0.000  1.00  0.00           S  
HETATM   35  C   UNL     1      -4.344  -3.388   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1      -5.471  -3.086   0.000  1.00  0.00           N  
HETATM   37  O   UNL     1      -5.169  -1.959   0.000  1.00  0.00           O  
HETATM   38  F   UNL     1       3.954   3.388   0.000  1.00  0.00           F  
CONECT    1    2   23   27                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    8   11                                            
CONECT    7    4                                                      
CONECT    8    6    9   16                                            
CONECT    9    8   10   19                                            
CONECT   10    9   11   12                                            
CONECT   11   10    6   15                                            
CONECT   12   10   13                                                 
CONECT   13   12   14   38                                            
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16    8   17   20                                            
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18    9                                                 
CONECT   20   16   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23    1   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26    1                                                 
CONECT   28   25   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34   31   35   36   37                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
CONECT   38   13                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END

$$$$

$$$$

$$$$
D0BP6J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.358  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.358  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.644  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.929  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.929  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.644   0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.215  -1.444   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.500  -1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.500  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.215   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.786   1.031   0.000  1.00  0.00           O  
HETATM   13  N   UNL     1      -1.071  -0.206   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.357   0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.357  -0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.072   0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.072   1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.357   1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.357   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.071   1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       1.786  -1.031   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1       2.501   0.206   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       3.215  -0.206   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.930   0.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.644  -0.206   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       5.359   0.206   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.359   1.031   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.644   1.444   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.930   1.031   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -1.786  -1.444   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       3.215  -1.031   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       3.930  -1.444   0.000  1.00  0.00           N  
HETATM   34  O   UNL     1      -5.359  -1.031   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1      -4.644  -1.444   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1      -5.359   0.206   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1      -4.644  -0.206   0.000  1.00  0.00           C  
CONECT    1    2    6   36                                            
CONECT    2    1    3   34                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   31                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14   20                                            
CONECT   20   19                                                      
CONECT   21   16   22   23                                            
CONECT   22   21                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25   32                                            
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31    8                                                      
CONECT   32   24   33                                                 
CONECT   33   32                                                      
CONECT   34    2   35                                                 
CONECT   35   34                                                      
CONECT   36    1   37                                                 
CONECT   37   36                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END

$$$$

$$$$

$$$$
D0BP6R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.675   1.507   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.150   1.507   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.405   2.292   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.263   2.777   0.000  1.00  0.00           N  
HETATM    5  N   UNL     1      -0.930   2.292   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.727   2.506   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.088   0.793   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.913   0.793   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.325   0.079   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.562   0.793   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.975   0.079   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.387  -0.636   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.975  -1.351   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.387  -2.065   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.212  -2.065   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.625  -1.351   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.212  -0.636   0.000  1.00  0.00           C  
HETATM   18  S   UNL     1       3.450  -1.351   0.000  1.00  0.00           S  
HETATM   19  N   UNL     1       4.275  -1.351   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       3.862  -0.636   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1       3.663  -2.147   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.150   0.079   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.563  -0.636   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.150  -1.351   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.325  -1.351   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.913  -0.636   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.563  -2.065   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1      -4.275  -1.654   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -3.974  -2.777   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -2.851  -2.476   0.000  1.00  0.00           F  
CONECT    1    2    5    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    1    6                                            
CONECT    6    5                                                      
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   22   26                                            
CONECT   10    2   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   12                                                 
CONECT   18   16   19   20   21                                       
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   18                                                      
CONECT   22    9   23                                                 
CONECT   23   22   24                                                 
CONECT   24   27   23   25                                            
CONECT   25   24   26                                                 
CONECT   26   25    9                                                 
CONECT   27   28   29   30   24                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0BP8I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.003   0.982   0.000  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.288   0.569   0.000  1.00  0.00           O  
HETATM    3  C   UNL     1       0.426   0.982   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.141   0.569   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.855   0.982   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.570   0.569   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.284   0.982   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.998   0.569   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       4.713   0.982   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       5.427   0.569   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1       6.559   0.982   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       4.713   1.807   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.003   1.807   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.717   2.219   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.432   1.807   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.432   0.982   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.717   0.569   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.146   2.219   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.861   1.807   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.575   2.219   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -5.290   1.807   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.290   0.982   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.575   0.569   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.861   0.982   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1      -6.074   2.062   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -6.559   1.394   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -6.074   0.727   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -6.329  -0.058   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -4.575  -0.256   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -3.992  -0.839   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.205  -1.636   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.622  -2.219   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.825  -2.006   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.612  -1.209   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.195  -0.625   0.000  1.00  0.00           C  
CONECT    1    2   13   17                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11                                                 
CONECT   11   10                                                      
CONECT   12    9                                                      
CONECT   13    1   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16    1                                                 
CONECT   18   15   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23   27                                            
CONECT   23   22   24   29                                            
CONECT   24   23   19                                                 
CONECT   25   21   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22   28                                            
CONECT   28   27                                                      
CONECT   29   23   30                                                 
CONECT   30   29   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0BP9B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.802  -0.829   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.068  -0.451   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.625  -0.897   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.359  -0.519   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1      -0.029   0.373   0.000  1.00  0.00           O  
HETATM    6  N   UNL     1       2.096  -0.890   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1       2.676  -0.304   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.298   0.429   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.484   0.296   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.228  -1.704   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.590  -2.227   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.723  -3.041   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.494  -3.333   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.133  -2.811   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.000  -1.997   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.516  -0.416   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.591   1.201   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.898   0.877   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.391   1.399   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       3.450   2.223   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1       2.685   2.532   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.154   1.901   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.486   3.333   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.603   0.404   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.409   0.576   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.822  -0.139   0.000  1.00  0.00           N  
HETATM   27  N   UNL     1      -2.270  -0.752   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -2.441  -1.559   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.226  -1.814   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.398  -2.621   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.784  -3.173   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.000  -2.918   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.828  -2.111   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.665   1.362   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1      -1.880   1.617   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1      -2.410   0.577   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -3.450   1.107   0.000  1.00  0.00           F  
CONECT    1    2   16                                                 
CONECT    2    1    3    5                                            
CONECT    3    2    4                                                 
CONECT    4    3    6    9                                            
CONECT    5    2                                                      
CONECT    6    4    7   10                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   17                                            
CONECT    9    8    4   18                                            
CONECT   10    6   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    1   24   27                                            
CONECT   17    8   19   22                                            
CONECT   18    9                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   17                                                 
CONECT   23   21                                                      
CONECT   24   16   25                                                 
CONECT   25   24   26   34                                            
CONECT   26   25   27                                                 
CONECT   27   26   16   28                                            
CONECT   28   27   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34   25   35   36   37                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0BQ7K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.644   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.644   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.930   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.215   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.215   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.930   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.501   0.412   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.786   0.825   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -1.786   1.650   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.501   2.062   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.072   2.062   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.357   1.650   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.357   2.062   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.072   1.650   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.072   0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.786   0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.501   0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.501   1.650   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.786   2.062   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.215   0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.215  -0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.930  -0.825   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.644  -0.412   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.644   0.412   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.930   0.825   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       3.930  -1.650   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       3.215  -2.062   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.501  -1.650   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       3.215  -2.888   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -2.501  -0.412   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.501   2.888   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.215  -0.825   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.044  -1.632   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.223  -1.718   0.000  1.00  0.00           C  
HETATM   35  S   UNL     1      -1.888  -0.965   0.000  1.00  0.00           S  
HETATM   36 CL   UNL     1      -1.811  -2.433   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   30                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   31                                            
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   22   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30    7   32   35                                            
CONECT   31   10                                                      
CONECT   32   30   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   36                                            
CONECT   35   34   30                                                 
CONECT   36   34                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0BQ8A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.868  -1.321   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.868  -2.146   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.154  -2.559   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.439  -2.146   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.439  -1.321   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.154  -0.909   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.725  -0.909   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.010  -1.321   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.296  -0.909   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.296  -0.084   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.010   0.329   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.725  -0.084   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.419   0.329   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.133  -0.084   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.419   1.154   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.296   1.566   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.133   1.566   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.419   1.979   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.848   1.154   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       1.133   2.391   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.562   1.566   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.316   1.231   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.868   1.844   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.455   2.559   0.000  1.00  0.00           C  
HETATM   25  S   UNL     1       2.649   2.387   0.000  1.00  0.00           S  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   16   17   18                                       
CONECT   16   15                                                      
CONECT   17   15   19   20                                            
CONECT   18   15                                                      
CONECT   19   17   21                                                 
CONECT   20   17                                                      
CONECT   21   19   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0BR6D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.715  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.429  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.143  -0.825   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       2.858  -0.412   0.000  1.00  0.00           N  
HETATM    5  N   UNL     1       3.572  -0.825   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.143   0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.143   1.650   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.968   0.825   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       2.143  -1.650   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       2.858   0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.572  -1.650   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       4.287  -0.412   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       5.001   0.000   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.714  -0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.714  -1.650   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.000  -2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.715  -1.650   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.429   0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.143   0.825   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.858   0.412   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.858  -0.412   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.143  -0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.572   0.825   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.572   1.650   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.287   2.062   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.001   1.650   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.001   0.825   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.287   0.412   0.000  1.00  0.00           C  
CONECT    1    2   15   19                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4   10                                            
CONECT    4    3    5   11                                            
CONECT    5    4   12   13                                            
CONECT    6    2    7                                                 
CONECT    7    6    8    9                                            
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    3                                                      
CONECT   11    4                                                      
CONECT   12    5                                                      
CONECT   13    5   14                                                 
CONECT   14   13                                                      
CONECT   15    1   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18    1                                                 
CONECT   20   16   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0BR7G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.745  -0.718   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.745  -1.543   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.030  -1.955   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.684  -1.543   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.684  -0.718   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.030  -0.305   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.469  -1.798   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.954  -1.130   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.469  -0.463   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1       2.779  -1.130   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       3.191  -0.416   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       4.016  -0.416   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       4.429   0.299   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.016   1.013   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.191   1.013   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.779   0.299   0.000  1.00  0.00           C  
HETATM   17 CL   UNL     1       4.429  -1.130   0.000  1.00  0.00          Cl  
HETATM   18  C   UNL     1       1.724  -2.582   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.459  -0.305   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.174  -0.718   0.000  1.00  0.00           N  
HETATM   21  O   UNL     1      -1.459   0.520   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.888  -0.305   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.888   0.520   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.603   0.932   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.317   0.520   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.317  -0.305   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -3.603  -0.718   0.000  1.00  0.00           N  
HETATM   28 CL   UNL     1       1.954   0.299   0.000  1.00  0.00          Cl  
HETATM   29  C   UNL     1      -3.604   1.757   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1      -4.429   1.757   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -3.604   2.582   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -2.779   1.757   0.000  1.00  0.00           F  
CONECT    1    2    6   19                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   18                                            
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11   28                                            
CONECT   17   12                                                      
CONECT   18    7                                                      
CONECT   19    1   20   21                                            
CONECT   20   19   22                                                 
CONECT   21   19                                                      
CONECT   22   20   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   16                                                      
CONECT   29   24   30   31   32                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0BS0K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.834  -0.097   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.009  -0.097   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.596   0.618   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.009   1.332   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.834   1.332   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.246   0.618   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.771   0.618   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.286  -0.049   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.499   0.206   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.499   1.031   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1      -0.287   1.286   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.213  -0.206   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.928   0.206   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.928   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.213   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.642  -0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.642  -1.031   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       3.357  -1.444   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       4.071  -1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.071  -0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.357   0.206   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.071   0.618   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.354   1.032   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.529   1.032   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   22                                            
CONECT    7    3    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11   15                                            
CONECT   11   10    7                                                 
CONECT   12    9   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16   23                                            
CONECT   22    6                                                      
CONECT   23   21   24                                                 
CONECT   24   23                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0BT6Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.537  -0.365   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.537  -1.190   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.251  -1.602   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.966  -1.190   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.966  -0.365   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.251   0.048   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.178  -1.602   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.892  -1.190   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.607  -1.602   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.607  -2.427   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.892  -2.840   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.178  -2.427   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.321  -2.840   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1       2.680  -1.602   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.251   0.873   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.966   1.285   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       0.537   1.285   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.966   2.110   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.680   2.523   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.395   2.110   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       4.109   2.523   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       4.109   3.348   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.395   3.760   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.680   3.348   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.824   3.760   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       3.395   1.285   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       3.395   4.585   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.680   4.998   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.966   4.585   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.966   3.760   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.235  -0.777   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.750  -0.110   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.005   0.675   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.866  -2.406   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.263  -2.969   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.655  -2.647   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.258  -2.084   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.035  -2.427   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.750  -2.840   0.000  1.00  0.00           C  
HETATM   40  N   UNL     1      -3.750  -3.665   0.000  1.00  0.00           N  
HETATM   41  C   UNL     1      -3.035  -4.077   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.321  -3.665   0.000  1.00  0.00           C  
HETATM   43  O   UNL     1      -3.395  -4.696   0.000  1.00  0.00           O  
HETATM   44  C   UNL     1      -2.680  -4.283   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.268  -4.998   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1      -3.093  -3.569   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1      -1.966  -3.871   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1      -4.109  -4.283   0.000  1.00  0.00           C  
HETATM   49  O   UNL     1      -4.824  -4.696   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   14                                            
CONECT    5    4    6   32                                            
CONECT    6    5    1   15                                            
CONECT    7    2    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   38   42                                            
CONECT   14    4   31   34                                            
CONECT   15    6   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21   26                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24   27                                            
CONECT   24   23   19   30                                            
CONECT   25   22                                                      
CONECT   26   20                                                      
CONECT   27   23   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   24                                                 
CONECT   31   14   32                                                 
CONECT   32   31    5   33                                            
CONECT   33   32                                                      
CONECT   34   14   35   36                                            
CONECT   35   34                                                      
CONECT   36   34   37                                                 
CONECT   37   36                                                      
CONECT   38   13   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41   48                                            
CONECT   41   40   42                                                 
CONECT   42   41   13                                                 
CONECT   43   44   48                                                 
CONECT   44   43   45   46   47                                       
CONECT   45   44                                                      
CONECT   46   44                                                      
CONECT   47   44                                                      
CONECT   48   40   49   43                                            
CONECT   49   48                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
M  END

$$$$
D0BU1L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.931   1.309   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.931   0.484   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.216   0.071   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.498   0.484   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.498   1.309   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.216   1.721   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.715   1.564   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.200   0.896   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.715   0.229   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.051   2.317   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.871   2.404   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.356   1.736   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.021   0.983   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.213   0.071   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.927   0.484   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       1.213  -0.754   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       2.642   0.071   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.356   0.484   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.356   1.309   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.642   1.721   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.927   1.309   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.642  -0.754   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.927  -1.166   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.927  -1.991   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.642  -2.404   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.356  -1.991   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.356  -1.166   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   14                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8   10                                            
CONECT    8    7    9   13                                            
CONECT    9    8    2                                                 
CONECT   10    7   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    4   15   16                                            
CONECT   15   14   17   21                                            
CONECT   16   14                                                      
CONECT   17   15   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   15                                                 
CONECT   22   17   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0BU3L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.215  -0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.215  -1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.501  -1.856   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.786  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.786  -0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.501  -0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.501   0.619   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.072  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.357  -0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.643  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.643   0.619   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.357   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.072   0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.072   1.031   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.786   0.619   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1       0.072   1.856   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       0.873  -0.202   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.679  -0.373   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.092   0.341   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.540   0.954   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.912   0.427   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1       3.397  -0.240   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       4.215  -0.154   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.659  -0.999   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       1.240  -1.580   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    5    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15   16                                            
CONECT   15   14   17   20                                            
CONECT   16   14                                                      
CONECT   17   24   15   18                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   15                                                 
CONECT   21   22   19                                                 
CONECT   22   23   21                                                 
CONECT   23   22                                                      
CONECT   24   25   17                                                 
CONECT   25   24                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0BU6K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.653   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.061   0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.776   0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.776  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.061  -1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.653  -0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.490   0.619   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.367   0.619   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.082   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.796   0.619   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.796   1.444   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.082   1.856   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.367   1.444   0.000  1.00  0.00           C  
HETATM   14  F   UNL     1      -0.061  -1.856   0.000  1.00  0.00           F  
HETATM   15  C   UNL     1      -1.576   1.439   0.000  1.00  0.00           C  
HETATM   16  S   UNL     1      -2.383   1.611   0.000  1.00  0.00           S  
HETATM   17  C   UNL     1      -2.796   0.896   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.244   0.283   0.000  1.00  0.00           C  
CONECT    1    2    6    8                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   14                                            
CONECT    6    5    1                                                 
CONECT    7    3   15   18                                            
CONECT    8    1    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    5                                                      
CONECT   15    7   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17    7                                                 
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D0BU9N
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.423  -0.992   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.423  -1.817   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.709  -2.230   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.006  -1.817   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.006  -0.992   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.709  -0.580   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -2.138  -0.580   0.000  1.00  0.00          Cl  
HETATM    8 CL   UNL     1      -2.138  -2.230   0.000  1.00  0.00          Cl  
HETATM    9  C   UNL     1       0.720  -0.580   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       1.435  -0.992   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.720   0.245   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.133   0.960   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.308   0.960   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.352   1.696   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.930   0.746   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.723   2.230   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1       2.138   1.947   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    2                                                      
CONECT    9    5   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   12   13                                            
CONECT   12   11   13   14   15                                       
CONECT   13   12   11                                                 
CONECT   14   12   16   17                                            
CONECT   15   12                                                      
CONECT   16   14                                                      
CONECT   17   14                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D0BV4M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.854   0.423   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.854  -0.402   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.140  -0.814   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.425  -0.402   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.425   0.423   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.140   0.836   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.289   0.836   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.004   0.423   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.718   0.836   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.433   0.423   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.147   0.836   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       0.289   1.661   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.569  -0.814   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.322  -0.478   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.874  -1.091   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.462  -1.806   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1      -2.655  -1.635   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       2.131   1.550   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.306   1.550   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.901   0.500   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.453   1.114   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.040   1.828   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.233   1.657   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.114  -0.296   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.901  -1.093   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.698  -0.880   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.698  -1.003   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1      -4.698  -0.178   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -3.873  -1.003   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -4.698  -1.828   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   18   19                                       
CONECT   10    9   11                                                 
CONECT   11   10   20   23                                            
CONECT   12    7                                                      
CONECT   13    2   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   27                                            
CONECT   16   15   17                                                 
CONECT   17   16   13                                                 
CONECT   18    9   19                                                 
CONECT   19   18    9                                                 
CONECT   20   11   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   11                                                 
CONECT   24   20   25   26                                            
CONECT   25   24   26                                                 
CONECT   26   25   24                                                 
CONECT   27   15   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0BW9L
  -OEChem-09301911172D

 54 58  0     0  0  0  0  0  0999 V2000
    4.9511    3.9718    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5851    0.9420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3780   -4.6426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3171    0.9420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655   -3.0926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9831   -1.5788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6678    2.8194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3107    4.5142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5998    5.6710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1831   -0.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3171   -0.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1831   -1.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4511   -0.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0771   -2.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3171   -2.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4511   -1.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0771   -0.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5851   -0.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4511    1.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4511    2.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9831   -0.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9257   -3.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464    3.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9570    3.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2558    3.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9141   -4.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7974   -3.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6461   -4.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892    4.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7743   -5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6576   -3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5063   -5.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4947   -6.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3171   -2.6780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9142   -1.8680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8540    1.2520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0699    0.5966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8951    0.4790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0481    0.2520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2751   -0.5949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -3.3964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5189   -0.2251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8451    2.8330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3736   -4.9063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8046   -2.4926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7672   -5.7324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1981   -3.3188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933    3.4358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1858    6.1324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2065    5.7988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8747   -6.1253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4875   -6.7524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1147   -6.1396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2 19  2  0  0  0  0
  3 33  2  0  0  0  0
  4 11  1  0  0  0  0
  4 19  1  0  0  0  0
  4 37  1  0  0  0  0
  5 14  1  0  0  0  0
  5 22  1  0  0  0  0
  5 42  1  0  0  0  0
  6 14  2  0  0  0  0
  6 21  1  0  0  0  0
  7 23  1  0  0  0  0
  7 32  2  0  0  0  0
  8 29  2  0  0  0  0
  8 32  1  0  0  0  0
  9 29  1  0  0  0  0
  9 50  1  0  0  0  0
  9 51  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 17  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 18  1  0  0  0  0
 15 16  2  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 21  2  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 20 23  1  0  0  0  0
 20 25  2  0  0  0  0
 21 43  1  0  0  0  0
 22 26  2  0  0  0  0
 22 27  1  0  0  0  0
 23 24  2  0  0  0  0
 24 29  1  0  0  0  0
 25 44  1  0  0  0  0
 26 30  1  0  0  0  0
 26 45  1  0  0  0  0
 27 31  2  0  0  0  0
 27 46  1  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 28 33  1  0  0  0  0
 30 47  1  0  0  0  0
 31 48  1  0  0  0  0
 32 49  1  0  0  0  0
 33 34  1  0  0  0  0
 34 52  1  0  0  0  0
 34 53  1  0  0  0  0
 34 54  1  0  0  0  0
M  END

$$$$
D0BY1R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.776   0.474   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.776  -0.351   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.991  -0.606   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.507   0.062   0.000  1.00  0.00           C  
HETATM    5  S   UNL     1      -1.991   0.729   0.000  1.00  0.00           S  
HETATM    6  C   UNL     1      -3.443  -0.836   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.682   0.062   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.269   0.776   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.269  -0.653   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.556  -0.653   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.968  -1.367   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.793  -1.367   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.206  -0.653   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.793   0.062   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.968   0.062   0.000  1.00  0.00           C  
HETATM   16  F   UNL     1       2.206  -2.082   0.000  1.00  0.00           F  
HETATM   17  C   UNL     1       3.031  -0.653   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       3.443  -1.367   0.000  1.00  0.00           O  
HETATM   19  N   UNL     1       3.443   0.062   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       3.031   0.776   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1       0.551   0.862   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       0.723   1.669   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       0.009   2.082   0.000  1.00  0.00           N  
HETATM   24  O   UNL     1      -0.605   1.530   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       1.477   2.005   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    1                                                 
CONECT    6    2                                                      
CONECT    7    4    8    9                                            
CONECT    8    7   21   24                                            
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   12                                                      
CONECT   17   13   18   19                                            
CONECT   18   17                                                      
CONECT   19   17   20                                                 
CONECT   20   19                                                      
CONECT   21    8   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23    8                                                 
CONECT   25   22                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0BZ0N
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930   2.269   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930   1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215   1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501   1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501   2.269   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215   2.681   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.215   0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.930  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.930  -1.031   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.215  -1.444   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.215  -2.269   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.501  -2.681   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.786  -2.269   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.072  -2.681   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.357  -2.269   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.357  -2.681   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.072  -2.269   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.072  -1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.357  -1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.357  -1.444   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.786  -1.031   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.501  -1.444   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       2.501  -2.269   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.215  -2.681   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       3.930  -2.269   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       3.930  -1.444   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.215  -1.031   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.786   1.031   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -1.072   1.444   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.072   2.269   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1      -1.786   2.681   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   30                                            
CONECT    5    4    6   33                                            
CONECT    6    5    1                                                 
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   20   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30    4   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32    5                                                 
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0BZ0T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       1.705   2.019   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       1.705   1.194   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.490   0.940   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.974   1.607   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       2.490   2.274   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.991   2.432   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.276   2.019   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.276   1.194   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.991   0.782   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -0.439   0.782   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.192   1.117   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.744   0.504   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.332  -0.210   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.525  -0.038   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.088  -0.591   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.324  -1.305   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.088  -2.019   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.913  -2.019   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.326  -1.305   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.913  -0.591   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.744   0.155   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       2.192  -0.458   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1       3.551  -0.017   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       3.806  -0.801   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.635  -1.608   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.420  -1.353   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       2.151  -1.305   0.000  1.00  0.00           F  
HETATM   28  O   UNL     1      -1.149  -1.305   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.276  -2.432   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.991  -2.019   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.991  -1.194   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.705  -0.782   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1      -4.420  -1.194   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.420  -2.019   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.705  -2.432   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.479  -2.219   0.000  1.00  0.00           C  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   21                                            
CONECT    4    3    5                                                 
CONECT    5    4    1                                                 
CONECT    6    1    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10   15                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17   28                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   27                                            
CONECT   20   19   15                                                 
CONECT   21    3   22   23                                            
CONECT   22   21                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   26                                                 
CONECT   26   25   24                                                 
CONECT   27   19                                                      
CONECT   28   16   36                                                 
CONECT   29   30   36                                                 
CONECT   30   29   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
CONECT   36   29   28                                                 
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0C0BP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -5.297  -0.206   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.297  -1.031   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.582  -1.444   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.868  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.868  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.582   0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.153  -1.444   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.439  -1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.439  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.153   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.724   0.206   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.010  -0.206   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1      -1.724   1.031   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.295   0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.419  -0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.134   0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.134   1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.419   1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.295   1.031   0.000  1.00  0.00           C  
HETATM   20 CL   UNL     1      -1.010   1.444   0.000  1.00  0.00          Cl  
HETATM   21  C   UNL     1       1.848  -0.206   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.562   0.206   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.277  -0.206   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.991   0.206   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.277  -1.031   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       3.991  -1.444   0.000  1.00  0.00           N  
HETATM   27  O   UNL     1       1.848  -1.031   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1      -1.724  -1.444   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       4.745  -0.129   0.000  1.00  0.00           C  
HETATM   30  S   UNL     1       5.297   0.484   0.000  1.00  0.00           S  
HETATM   31  C   UNL     1       4.885   1.198   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.078   1.027   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1      -5.297  -1.031   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.583  -1.444   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   33                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   28                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12   13                                            
CONECT   12   11   14                                                 
CONECT   13   11                                                      
CONECT   14   12   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14   20                                            
CONECT   20   19                                                      
CONECT   21   16   22   27                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   29   32                                            
CONECT   25   23   26                                                 
CONECT   26   25                                                      
CONECT   27   21                                                      
CONECT   28    8                                                      
CONECT   29   24   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   24                                                 
CONECT   33    2   34                                                 
CONECT   34   33                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0C0KI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.961   2.142   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.376   1.429   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.967   0.713   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.142   0.709   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.726   1.422   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.136   2.138   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.732  -0.007   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.907  -0.010   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.148  -0.720   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.973  -0.716   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.388  -1.429   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.979  -2.145   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.154  -2.149   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.738  -1.436   0.000  1.00  0.00           C  
HETATM   15 CL   UNL     1      -3.370   2.858   0.000  1.00  0.00          Cl  
HETATM   16 CL   UNL     1      -3.394  -2.858   0.000  1.00  0.00          Cl  
HETATM   17  C   UNL     1      -0.326  -0.596   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.259  -0.010   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.326   0.575   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.084  -0.010   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.497   0.704   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1       1.726  -0.295   0.000  1.00  0.00           S  
HETATM   23  C   UNL     1       2.322   0.704   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.734   1.419   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.322   2.133   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.497   2.133   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.084   1.419   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1       1.084   2.848   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1       3.559   1.419   0.000  1.00  0.00           F  
HETATM   30  C   UNL     1       2.214   0.370   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       1.637  -1.115   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       2.392  -0.783   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -0.705  -1.169   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.420  -0.756   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1      -1.420   0.071   0.000  1.00  0.00           O  
HETATM   36  O   UNL     1      -2.132  -1.167   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1      -3.559  -1.161   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.852  -0.752   0.000  1.00  0.00           C  
CONECT    1    2    6   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   17   19                                            
CONECT    9    7   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    1                                                      
CONECT   16   12                                                      
CONECT   17    8   18   33                                            
CONECT   18   17   19   20                                            
CONECT   19   18    8                                                 
CONECT   20   18   21   22                                            
CONECT   21   20   23   27                                            
CONECT   22   20   30   31   32                                       
CONECT   23   21   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   21                                                 
CONECT   28   26                                                      
CONECT   29   24                                                      
CONECT   30   22                                                      
CONECT   31   22                                                      
CONECT   32   22                                                      
CONECT   33   17   34                                                 
CONECT   34   33   35   36                                            
CONECT   35   34                                                      
CONECT   36   34   38                                                 
CONECT   37   38                                                      
CONECT   38   36   37                                                 
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0C0PK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.489   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.489  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.775  -1.032   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.060  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.060   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.775   0.618   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.654   0.618   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.479   0.618   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.067   1.333   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       2.194   0.206   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       2.908   0.618   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.623   0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.623  -0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.337  -1.032   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       5.052  -0.619   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       5.052   0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.337   0.618   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.204  -1.032   0.000  1.00  0.00           N  
HETATM   19  S   UNL     1      -2.916  -0.621   0.000  1.00  0.00           S  
HETATM   20  O   UNL     1      -3.327  -1.333   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.505   0.091   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.628  -0.210   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.340  -0.621   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.052  -0.210   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.052   0.612   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.340   1.024   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.628   0.612   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2   18    1    3                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    8    9    5                                            
CONECT    8    7    9   10                                            
CONECT    9    8    7                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   19    2                                                 
CONECT   19   20   21   22   18                                       
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   23   27   19                                            
CONECT   23   24   22                                                 
CONECT   24   25   23                                                 
CONECT   25   26   24                                                 
CONECT   26   27   25                                                 
CONECT   27   26   22                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0C1CV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.429   0.206   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.429  -0.619   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.715  -1.031   0.000  1.00  0.00           N  
HETATM    4  CA  UNL     1       0.000  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.000   0.206   0.000  1.00  0.00           C  
HETATM    6  CA  UNL     1      -0.715   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.715  -1.031   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.715   1.444   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       0.000   1.856   0.000  1.00  0.00           O  
HETATM   10  OXT UNL     1      -1.429   1.856   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1       1.429  -0.619   0.000  1.00  0.00           O  
HETATM   12  OXT UNL     1       0.715  -1.856   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    4   11   12                                            
CONECT    8    6    9   10                                            
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11    7                                                      
CONECT   12    7                                                      
MASTER        0    0    0    0    0    0    0    0   12    0   12    0
END
M  END

$$$$
D0C1HS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.357   1.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.357   1.031   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.072   0.619   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.786   1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.786   1.856   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       1.072   2.269   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.357   2.269   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.071   1.856   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.071   1.031   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.357   0.619   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1      -1.786   0.619   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.786  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.500  -0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.500  -1.444   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.786  -1.856   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.071  -1.444   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.071  -0.619   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.072  -0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.072   3.094   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       2.501   2.269   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.501   0.619   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.405  -0.691   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.659  -1.476   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.484  -1.476   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.739  -0.691   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.786  -2.681   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.071  -3.094   0.000  1.00  0.00           N  
HETATM   28  O   UNL     1      -2.500  -3.094   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.357  -2.681   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.468  -2.681   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.056  -1.967   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.501  -0.206   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -1.786  -0.619   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4   18                                            
CONECT    4    3    5   21                                            
CONECT    5    4    6   20                                            
CONECT    6    5    1   19                                            
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    2                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   32                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   26                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    3   22   25                                            
CONECT   19    6                                                      
CONECT   20    5                                                      
CONECT   21    4                                                      
CONECT   22   18   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   18                                                 
CONECT   26   15   27   28                                            
CONECT   27   26   29                                                 
CONECT   28   26                                                      
CONECT   29   27   30   31                                            
CONECT   30   29   31                                                 
CONECT   31   30   29                                                 
CONECT   32   13   33                                                 
CONECT   33   32                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0C1MZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.617   0.619   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.097   0.206   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.812   0.619   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       1.526   0.206   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.241   0.619   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       0.812   1.444   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1       2.955   0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.670   0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.670   1.444   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.955   1.856   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.241   1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.955  -0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.670  -1.031   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       4.384  -0.619   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       4.384   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.670  -1.856   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.703   1.439   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.510   1.611   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.923   0.896   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.371   0.283   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.743   0.810   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.228   1.478   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.049   1.391   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.384   0.638   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.899  -0.030   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.079   0.056   0.000  1.00  0.00           C  
HETATM   27  H   UNL     1      -4.235  -0.783   0.000  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.594  -0.611   0.000  1.00  0.00           H  
HETATM   29  F   UNL     1       1.526   1.856   0.000  1.00  0.00           F  
CONECT    1    2   17   20                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4    7   11                                            
CONECT    6    3                                                      
CONECT    7    5    8   12                                            
CONECT    8    7    9   15                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    5   29                                            
CONECT   12    7   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14    8                                                 
CONECT   16   13                                                      
CONECT   17    1   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19    1                                                 
CONECT   21   19   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   21   28                                            
CONECT   27   25                                                      
CONECT   28   26                                                      
CONECT   29   11                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0C1PB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  O   UNL     1      -0.930  -0.103   0.000  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.170  -0.893   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.702  -1.572   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.121  -1.630   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.679  -1.023   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.553  -0.208   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.164   0.202   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.265   0.208   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.262   1.033   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.545   1.442   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.167   1.026   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       1.273  -1.442   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.985  -1.026   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.982  -0.202   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.542   2.267   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.974   1.448   0.000  1.00  0.00           C  
HETATM   17  H   UNL     1       1.980   0.620   0.000  1.00  0.00           H  
HETATM   18  O   UNL     1       0.339  -1.005   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.456  -1.305   0.000  1.00  0.00           O  
HETATM   20  H   UNL     1       0.679  -1.848   0.000  1.00  0.00           H  
HETATM   21  C   UNL     1       1.273  -2.267   0.000  1.00  0.00           C  
HETATM   22  H   UNL     1      -0.961   0.415   0.000  1.00  0.00           H  
HETATM   23  C   UNL     1      -1.985  -1.019   0.000  1.00  0.00           C  
CONECT    1    2    7                                                 
CONECT    2    1    3   19   23                                       
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   12   20                                       
CONECT    6    5    7    8   18                                       
CONECT    7    6    1   11   22                                       
CONECT    8    6    9   14   17                                       
CONECT    9    8   10   16                                            
CONECT   10    9   11   15                                            
CONECT   11   10    7                                                 
CONECT   12   13    5   21                                            
CONECT   13   12   14                                                 
CONECT   14   13    8                                                 
CONECT   15   10                                                      
CONECT   16    9                                                      
CONECT   17    8                                                      
CONECT   18    6   19                                                 
CONECT   19    2   18                                                 
CONECT   20    5                                                      
CONECT   21   12                                                      
CONECT   22    7                                                      
CONECT   23    2                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0C1UA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.837  -0.724   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.837  -1.548   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.122  -1.961   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.122  -0.311   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.551  -0.311   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.266  -0.724   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.266  -1.548   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.551  -1.961   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.980  -1.961   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.980  -0.311   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.980   0.514   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -4.695  -0.724   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -5.409  -0.311   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.122   0.514   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.551   0.514   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.837   0.926   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.837   1.752   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.551   2.164   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.266   1.752   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.266   0.926   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.408  -0.724   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.325   0.728   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.258   0.144   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.055   0.358   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       1.268   1.155   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       0.685   1.738   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.112   1.524   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.065   1.368   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.649   0.785   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       2.435  -0.012   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       3.018  -0.596   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.805  -1.392   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.388  -1.976   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       4.185  -1.762   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       4.399  -0.965   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.815  -0.382   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       2.008  -1.606   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       1.794  -2.403   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       2.378  -2.986   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       3.175  -2.773   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       5.196  -0.752   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       5.409   0.045   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       4.826   0.628   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       4.029   0.415   0.000  1.00  0.00           C  
HETATM   45  N   UNL     1      -1.122   2.164   0.000  1.00  0.00           N1+
HETATM   46  O   UNL     1      -0.410   1.753   0.000  1.00  0.00           O  
HETATM   47  O   UNL     1      -1.122   2.986   0.000  1.00  0.00           O1-
CONECT    1    2    4    5                                            
CONECT    2    1    3    8                                            
CONECT    3    2                                                      
CONECT    4    1   14   21                                            
CONECT    5    1    6   15                                            
CONECT    6    5    7   10                                            
CONECT    7    6    8    9                                            
CONECT    8    7    2                                                 
CONECT    9    7                                                      
CONECT   10    6   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   13                                                 
CONECT   13   12                                                      
CONECT   14    4   22                                                 
CONECT   15    5   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   45   16   18                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21    4                                                      
CONECT   22   14   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   25   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   36                                            
CONECT   32   31   33   37                                            
CONECT   33   32   34   40                                            
CONECT   34   33   35                                                 
CONECT   35   34   36   41                                            
CONECT   36   35   31   44                                            
CONECT   37   32   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   33                                                 
CONECT   41   35   42                                                 
CONECT   42   41   43                                                 
CONECT   43   42   44                                                 
CONECT   44   43   36                                                 
CONECT   45   46   47   17                                            
CONECT   46   45                                                      
CONECT   47   45                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
M  END

$$$$
D0C1YW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.214   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.214   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.500  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.785   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.785   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.500   1.444   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.071   1.444   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.356   1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.358   1.444   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       1.073   1.031   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.787   1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.502   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.216   1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.931   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.073   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.787  -0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.787  -1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.502  -1.444   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.931  -0.617   0.000  1.00  0.00           N1+
HETATM   20  O   UNL     1      -3.931   0.208   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.216  -1.030   0.000  1.00  0.00           O1-
CONECT    1    2    6                                                 
CONECT    2    1    3   19                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13                                                      
CONECT   15   10   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17                                                      
CONECT   19    2   20   21                                            
CONECT   20   19                                                      
CONECT   21   19                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0C2DV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.225  -3.766   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.225  -2.941   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.510  -4.179   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.796  -3.766   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.796  -2.941   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.510  -2.529   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.510  -1.704   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.796  -1.291   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.796  -0.466   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.081  -0.054   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.081   0.771   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.586   1.256   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.331   2.041   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.494   2.041   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.749   1.256   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.046   2.654   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.853   2.483   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.108   1.698   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.556   1.085   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.371   1.001   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.081  -4.179   0.000  1.00  0.00           C  
HETATM   22 CL   UNL     1      -1.510  -5.004   0.000  1.00  0.00          Cl  
HETATM   23  C   UNL     1      -2.939  -4.179   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.816   2.708   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.637   2.622   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.791   3.439   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.006   3.694   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.006   4.519   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1      -0.791   4.774   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -1.276   4.106   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.101   4.106   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.661   3.209   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       0.661   5.004   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.122   3.290   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1       1.787   4.041   0.000  1.00  0.00           O  
HETATM   36  O   UNL     1       2.939   3.204   0.000  1.00  0.00           O  
CONECT    1    2    3   23                                            
CONECT    2    1    6                                                 
CONECT    3    1    4   22                                            
CONECT    4    3    5   21                                            
CONECT    5    4    6                                                 
CONECT    6    5    2    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13   20                                            
CONECT   13   12   14   24                                            
CONECT   14   13   15   16                                            
CONECT   15   14   11   19                                            
CONECT   16   14   17   26                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   15                                                 
CONECT   20   12                                                      
CONECT   21    4                                                      
CONECT   22    3                                                      
CONECT   23    1                                                      
CONECT   24   13   25                                                 
CONECT   25   34   24                                                 
CONECT   26   16   27   30                                            
CONECT   27   26   28   32                                            
CONECT   28   27   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   26   31                                            
CONECT   31   30                                                      
CONECT   32   27                                                      
CONECT   33   28                                                      
CONECT   34   35   36   25                                            
CONECT   35   34                                                      
CONECT   36   34                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0C2EW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.908   0.240   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.908  -0.585   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.194  -0.997   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.479  -0.585   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.479   0.240   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.194   0.653   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.765   0.653   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.050   0.240   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -0.765   1.478   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       0.664   0.653   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.379   0.240   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.093   0.653   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.093   1.478   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.379   1.890   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.664   1.478   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.521  -1.137   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1      -3.186  -1.891   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.365  -1.804   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       2.449   0.447   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       3.164   0.034   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       2.807   1.891   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       3.521   1.478   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   16                                            
CONECT    3    2    4   18                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   19                                            
CONECT   13   12   14   21                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    2   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17    3                                                 
CONECT   19   12   20                                                 
CONECT   20   19                                                      
CONECT   21   13   22                                                 
CONECT   22   21                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0C2MH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.216  -1.176   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.804  -1.890   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.979  -1.890   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.567  -1.176   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.979  -0.461   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.804  -0.461   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.567  -2.605   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.742  -2.605   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.329  -1.890   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.742  -1.176   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.216   0.253   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.496  -1.890   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       0.908  -1.176   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1       0.908  -2.605   0.000  1.00  0.00           N  
HETATM   15  CA  UNL     1       1.734  -2.605   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.146  -3.319   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.971  -3.319   0.000  1.00  0.00           O  
HETATM   18  OXT UNL     1       1.734  -4.034   0.000  1.00  0.00           O  
HETATM   19  N   UNL     1      -2.881   1.007   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.494   1.559   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.208   1.146   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1      -4.037   0.339   0.000  1.00  0.00           S  
HETATM   23  C   UNL     1      -3.494   2.384   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.146  -1.890   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.780   2.796   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.780   3.621   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.494   4.034   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.208   3.621   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.208   2.796   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.971  -1.890   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.384  -1.176   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.971  -0.461   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.146  -0.461   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.734  -1.176   0.000  1.00  0.00           C  
HETATM   35 CL   UNL     1       4.208  -1.176   0.000  1.00  0.00          Cl  
HETATM   36 CL   UNL     1       3.384   0.253   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   11                                            
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9    4                                                 
CONECT   11    6   19   22                                            
CONECT   12    9   13   14                                            
CONECT   13   12                                                      
CONECT   14   12   15                                                 
CONECT   15   14   16   24                                            
CONECT   16   15   17   18                                            
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19   11   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   11                                                 
CONECT   23   20   25   29                                            
CONECT   24   15   30   34                                            
CONECT   25   23   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   23                                                 
CONECT   30   24   31                                                 
CONECT   31   30   32   35                                            
CONECT   32   31   33   36                                            
CONECT   33   32   34                                                 
CONECT   34   33   24                                                 
CONECT   35   31                                                      
CONECT   36   32                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0C2QU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  S   UNL     1      -1.896  -1.051   0.000  1.00  0.00           S  
HETATM    2  S   UNL     1      -1.071  -1.051   0.000  1.00  0.00           S  
HETATM    3  C   UNL     1      -0.816  -0.266   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.484   0.219   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.151  -0.266   0.000  1.00  0.00           C  
HETATM    6  S   UNL     1      -2.936  -0.011   0.000  1.00  0.00           S  
HETATM    7  C   UNL     1      -0.031  -0.011   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.582  -0.563   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.366  -0.308   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.538   0.499   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.925   1.051   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.140   0.796   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       2.322   0.754   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       2.936   0.202   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    1    6                                            
CONECT    6    5                                                      
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13                                                      
MASTER        0    0    0    0    0    0    0    0   14    0   14    0
END
M  END

$$$$
D0C2UP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.722   1.238   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.722   0.412   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.007   0.000   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.292   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.292   1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.007   1.650   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.492   0.158   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.977   0.825   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.492   1.492   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -1.007   2.475   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1      -2.436   0.000   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.436   1.650   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.007  -0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.150   1.238   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.865   1.650   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.722  -1.238   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.722  -2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.391   0.306   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.768   2.155   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.753   0.878   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.692   1.205   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.148   0.446   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.237   1.559   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.364   0.750   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.930   0.182   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.802   0.825   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.296   1.260   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.579  -0.300   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.812   2.337   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.579   1.238   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.436  -2.475   0.000  1.00  0.00           O  
CONECT    1    2    6   12                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4   13                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   26                                            
CONECT    9    8    5                                                 
CONECT   10    6                                                      
CONECT   11    2                                                      
CONECT   12    1   14                                                 
CONECT   13    3   16                                                 
CONECT   14   12   15                                                 
CONECT   15   14   30                                                 
CONECT   16   13   17                                                 
CONECT   17   16   31                                                 
CONECT   18   22   26                                                 
CONECT   19   21   29                                                 
CONECT   20   21   27                                                 
CONECT   21   19   20   24                                            
CONECT   22   18   23   25                                            
CONECT   23   22   29                                                 
CONECT   24   21   28                                                 
CONECT   25   22   28                                                 
CONECT   26    8   18   27                                            
CONECT   27   20   26   29                                            
CONECT   28   25   24                                                 
CONECT   29   19   23   27                                            
CONECT   30   15                                                      
CONECT   31   17                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0C2YI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.000  -1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.000  -2.269   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.715  -2.681   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.429  -2.269   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.429  -1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.715  -1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.143  -2.681   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.858  -2.269   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       3.572  -2.681   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       4.287  -2.269   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       4.287  -1.444   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       3.572  -1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.858  -1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       5.001  -1.031   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.715  -1.031   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.429  -1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.143  -1.031   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.429  -2.269   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.858   0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.572  -0.206   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.572  -1.031   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.858  -1.444   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.287   0.206   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.858   1.031   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.858   1.856   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.858   2.681   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.143   3.094   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.143   3.919   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.858   4.331   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.572   3.919   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.572   3.094   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1      -4.287   4.331   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1      -5.001   3.919   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1      -5.001   3.094   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1      -4.287   2.681   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       0.715  -3.506   0.000  1.00  0.00           C  
HETATM   38  F   UNL     1       1.540  -3.506   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1       0.715  -4.331   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1      -0.111  -3.506   0.000  1.00  0.00           F  
CONECT    1    2    6   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   37                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11                                                      
CONECT   15    1   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   19   23                                            
CONECT   18   16                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   17                                                 
CONECT   24   21                                                      
CONECT   25   20   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   33                                            
CONECT   32   31   27   36                                            
CONECT   33   31   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   32                                                 
CONECT   37    3   38   39   40                                       
CONECT   38   37                                                      
CONECT   39   37                                                      
CONECT   40   37                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0C2ZJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.617  -0.494   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.531  -1.311   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.780  -1.646   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.115  -1.162   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.201  -0.345   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.952  -0.010   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.535   0.139   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.246  -0.116   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.730   0.550   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.246   1.215   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.535   0.961   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.552   0.550   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.963   1.262   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.963  -0.162   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.785  -0.162   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.196   0.550   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       2.785   1.262   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.196  -0.874   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.535   1.984   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.091   2.688   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.729   2.798   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.323   2.229   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.237   1.412   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.196   1.974   0.000  1.00  0.00           C  
HETATM   25 CL   UNL     1      -3.196  -1.794   0.000  1.00  0.00          Cl  
HETATM   26  C   UNL     1      -2.095   2.513   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.694  -2.463   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.943  -2.798   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   25                                            
CONECT    3   27    2    4                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11   19                                            
CONECT   11   10    7   23                                            
CONECT   12    9   13   14                                            
CONECT   13   12   17                                                 
CONECT   14   12   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   13   24                                            
CONECT   18   15                                                      
CONECT   19   10   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   11                                                 
CONECT   24   17                                                      
CONECT   25    2                                                      
CONECT   26   22                                                      
CONECT   27   28    3                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0C3HN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.278   1.175   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.278   0.350   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.437  -0.063   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.151   0.350   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.151   1.175   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.437   1.587   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       0.437   2.412   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.437  -0.888   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.231  -1.373   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.024  -2.157   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.849  -2.157   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1       1.104  -1.373   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       1.936   0.095   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1       2.421   0.762   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.936   1.430   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.191   2.214   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.334  -2.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.992   1.587   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.992   2.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.706   2.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.421   2.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.421   1.587   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.706   1.175   0.000  1.00  0.00           C  
HETATM   24  F   UNL     1      -0.278   2.825   0.000  1.00  0.00           F  
HETATM   25  F   UNL     1      -1.706   0.350   0.000  1.00  0.00           F  
CONECT    1    2    6   18                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5   13                                            
CONECT    5    4    6   15                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    3    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   17                                            
CONECT   12   11    8                                                 
CONECT   13    4   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    5   16                                            
CONECT   16   15                                                      
CONECT   17   11                                                      
CONECT   18    1   19   23                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18   25                                            
CONECT   24   19                                                      
CONECT   25   23                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0C3OH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.582   0.496   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.582  -0.329   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.868  -0.742   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.154  -0.329   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.154   0.496   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.868   0.908   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.439   0.908   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.725   0.496   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.010   0.908   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1      -0.296   0.496   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.419   0.908   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.133   0.496   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.725  -0.329   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.419   1.734   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.133  -0.329   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.848  -0.742   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.562  -0.329   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.562   0.496   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.848   0.908   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.277  -0.742   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.363  -1.562   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.170  -1.734   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.582  -1.019   0.000  1.00  0.00           C  
HETATM   24  S   UNL     1       4.030  -0.406   0.000  1.00  0.00           S  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   15   19                                            
CONECT   13    8                                                      
CONECT   14   11                                                      
CONECT   15   12   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   12                                                 
CONECT   20   17   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   20                                                 
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0C3RK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.617  -0.991   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.617  -1.816   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.902  -2.228   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.188  -1.816   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.188  -0.991   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.902  -0.578   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.331  -0.578   0.000  1.00  0.00           C  
HETATM    8 CL   UNL     1      -3.331  -2.228   0.000  1.00  0.00          Cl  
HETATM    9  N   UNL     1      -3.331   0.247   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.046   0.659   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.760   0.247   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.760  -0.578   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.046  -0.991   0.000  1.00  0.00           C  
HETATM   14 CL   UNL     1      -0.473  -2.228   0.000  1.00  0.00          Cl  
HETATM   15  C   UNL     1      -0.473  -0.578   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.473   0.247   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1       0.241  -0.991   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.955  -0.578   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.709  -0.914   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1       2.261  -0.301   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.849   0.414   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.042   0.242   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.881  -1.721   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.268  -2.273   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.439  -3.080   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.224  -3.335   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.837  -2.783   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.665  -1.976   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.184   1.167   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       3.005   1.254   0.000  1.00  0.00           N  
HETATM   31  O   UNL     1       1.699   1.835   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       3.340   2.007   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1      -4.046   1.484   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1       4.147   2.179   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1       4.234   2.999   0.000  1.00  0.00           N  
HETATM   36  N   UNL     1       3.480   3.335   0.000  1.00  0.00           N  
HETATM   37  C   UNL     1       2.928   2.722   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       4.760   1.627   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   14                                            
CONECT    5    4    6   15                                            
CONECT    6    5    1                                                 
CONECT    7    1    9   13                                            
CONECT    8    2                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11   33                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    7                                                 
CONECT   14    4                                                      
CONECT   15    5   16   17                                            
CONECT   16   15                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   29                                            
CONECT   22   21   18                                                 
CONECT   23   19   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   21   30   31                                            
CONECT   30   29   32                                                 
CONECT   31   29                                                      
CONECT   32   30   34   37                                            
CONECT   33   10                                                      
CONECT   34   32   35   38                                            
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   32                                                 
CONECT   38   34                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END

$$$$

$$$$

$$$$
D0C3ZN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.800   0.784   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.800  -0.041   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.086  -0.453   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.629  -0.041   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.629   0.784   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.086   1.197   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.414  -0.295   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.899   0.372   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.414   1.040   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1       2.724   0.372   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       3.136   1.087   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.961   1.087   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       4.374   1.801   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.961   2.515   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.136   2.515   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.724   1.801   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.669  -1.080   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.514   1.197   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.229   0.784   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1      -1.514   2.022   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.943   1.197   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.943   2.022   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.658   2.434   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.372   2.022   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.372   1.197   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.658   0.784   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.514  -0.453   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.514  -1.278   0.000  1.00  0.00           C  
HETATM   29 BR   UNL     1      -5.087   2.434   0.000  1.00  0.00          Br  
HETATM   30  C   UNL     1       4.372   0.373   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       3.658  -0.039   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       3.960   1.088   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       5.087   0.786   0.000  1.00  0.00           F  
HETATM   34  C   UNL     1      -2.229  -2.103   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1      -2.229  -1.278   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1      -1.515  -2.515   0.000  1.00  0.00           F  
CONECT    1    2    6   18                                            
CONECT    2    1    3   27                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   17                                            
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13   30                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    7                                                      
CONECT   18    1   19   20                                            
CONECT   19   18   21                                                 
CONECT   20   18                                                      
CONECT   21   19   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27    2   28                                                 
CONECT   28   27   34                                                 
CONECT   29   24                                                      
CONECT   30   12   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
CONECT   34   28   35   36                                            
CONECT   35   34                                                      
CONECT   36   34                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0C4AW
  -OEChem-09301911282D

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 28 74  1  0  0  0  0
 29 67  1  0  0  0  0
 29 68  1  0  0  0  0
 29 69  1  0  0  0  0
 30 70  1  0  0  0  0
 30 71  1  0  0  0  0
 30 72  1  0  0  0  0
 32 34  2  0  0  0  0
 32 35  1  0  0  0  0
 33 34  1  0  0  0  0
 33 36  2  0  0  0  0
 34 76  1  0  0  0  0
 35 37  2  0  0  0  0
 35 77  1  0  0  0  0
 36 37  1  0  0  0  0
 36 78  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 39 41  1  0  0  0  0
 39 79  1  0  0  0  0
 40 42  2  0  0  0  0
 40 80  1  0  0  0  0
 41 43  2  0  0  0  0
 41 81  1  0  0  0  0
 42 43  1  0  0  0  0
 42 82  1  0  0  0  0
M  END

$$$$
D0C4BJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.572   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.071   1.905   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.556   1.238   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.071   0.570   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.326   2.690   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.572  -0.412   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.143  -0.412   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.429  -0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.714  -0.412   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.714   0.412   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.000  -0.825   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.714  -0.412   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       0.714   0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.000   0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.429  -0.825   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.143  -0.412   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.858  -0.825   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.858  -1.650   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.572  -2.062   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.287  -1.650   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.287  -0.825   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.572  -0.412   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.071  -1.905   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       5.556  -1.238   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       5.071  -0.570   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       5.326  -2.690   0.000  1.00  0.00           O  
HETATM   34  H   UNL     1      -2.143   1.238   0.000  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.714  -1.238   0.000  1.00  0.00           H  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   12                                            
CONECT    4    3    5   11                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    7                                                      
CONECT   11    4   13   17   34                                       
CONECT   12    3                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18   35                                       
CONECT   16   15   17   21                                            
CONECT   17   16   11                                                 
CONECT   18   15   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   19   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29   32                                            
CONECT   29   28   24                                                 
CONECT   30   27   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   28                                                 
CONECT   33   30                                                      
CONECT   34   11                                                      
CONECT   35   15                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0C4PD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.724  -1.854   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.724  -2.679   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.009  -3.092   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.295  -2.679   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.295  -1.854   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.009  -1.442   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.580  -3.092   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.866  -2.679   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.151  -3.092   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.437  -2.679   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.437  -1.854   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.151  -1.442   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.866  -1.854   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.009  -0.617   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.278  -1.442   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.992  -1.854   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       0.278  -0.617   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.706  -1.442   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.421  -1.854   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.135  -1.442   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.135  -0.617   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.421  -0.204   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.706  -0.617   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.992  -0.204   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.295  -0.204   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.295   0.621   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.009   1.033   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.724   0.621   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.724  -0.204   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -5.508  -1.599   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -5.993  -2.267   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1      -5.508  -2.934   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       3.850  -1.854   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       4.564  -1.442   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       5.279  -1.854   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       5.993  -1.442   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1       5.993  -0.617   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1       5.279  -0.204   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       4.564  -0.617   0.000  1.00  0.00           C  
HETATM   40  O   UNL     1      -4.009   1.858   0.000  1.00  0.00           O  
HETATM   41  C   UNL     1      -4.721   2.269   0.000  1.00  0.00           C  
HETATM   42  F   UNL     1      -5.433   2.681   0.000  1.00  0.00           F  
HETATM   43  F   UNL     1      -5.433   1.858   0.000  1.00  0.00           F  
HETATM   44  F   UNL     1      -4.721   3.092   0.000  1.00  0.00           F  
CONECT    1    2    6   30                                            
CONECT    2    1    3   32                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   14                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    6   25   29                                            
CONECT   15   11   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   33                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18   24                                            
CONECT   24   23                                                      
CONECT   25   14   26                                                 
CONECT   26   25   27                                                 
CONECT   27   40   26   28                                            
CONECT   28   27   29                                                 
CONECT   29   28   14                                                 
CONECT   30    1   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31    2                                                 
CONECT   33   20   34                                                 
CONECT   34   33   35   39                                            
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   34                                                 
CONECT   40   41   27                                                 
CONECT   41   42   43   44   40                                       
CONECT   42   41                                                      
CONECT   43   41                                                      
CONECT   44   41                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
M  END

$$$$
D0C4TB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.003   0.812   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.090  -0.008   0.000  1.00  0.00           N  
HETATM    3  N   UNL     1       0.897  -0.180   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.309   0.534   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.757   1.148   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.523  -0.560   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.308  -0.305   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.921  -0.858   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.750  -1.665   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.965  -1.919   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.352  -1.367   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.044   0.621   0.000  1.00  0.00           C  
HETATM   13 CL   UNL     1       0.433  -1.622   0.000  1.00  0.00          Cl  
HETATM   14  C   UNL     1       1.043   1.955   0.000  1.00  0.00           C  
HETATM   15 CL   UNL     1      -2.363  -2.217   0.000  1.00  0.00          Cl  
HETATM   16  N   UNL     1       2.596   0.008   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.711   1.225   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.797   2.045   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.604   2.217   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.017   1.502   0.000  1.00  0.00           C  
HETATM   21  S   UNL     1      -1.465   0.889   0.000  1.00  0.00           S  
HETATM   22  O   UNL     1       2.339   1.391   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1       3.421   0.008   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.837   1.416   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.658   1.330   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.478   1.243   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.963   1.911   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.784   1.825   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.119   1.071   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.634   0.404   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.814   0.490   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.906  -0.660   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.690  -0.405   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.690   0.420   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.906   0.675   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       5.405  -0.817   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       6.119  -0.405   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       6.119   0.420   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       5.405   0.833   0.000  1.00  0.00           C  
CONECT    1    2    5   17                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   12                                            
CONECT    5    4    1   14                                            
CONECT    6    2    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   15                                            
CONECT   10    9   11                                                 
CONECT   11   10    6   13                                            
CONECT   12   16   22    4                                            
CONECT   13   11                                                      
CONECT   14    5                                                      
CONECT   15    9                                                      
CONECT   16   12   23                                                 
CONECT   17    1   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   17                                                 
CONECT   22   12                                                      
CONECT   23   16   32   35                                            
CONECT   24   20   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   23   33                                                 
CONECT   33   32   34   36                                            
CONECT   34   33   35   39                                            
CONECT   35   34   23                                                 
CONECT   36   33   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   34                                                 
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0C4VR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.074   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.074  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.360  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.645  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.645   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.360   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.931   0.825   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.931   1.650   0.000  1.00  0.00           O  
HETATM    9  N   UNL     1      -3.216   0.412   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.502   0.825   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.787   0.412   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1      -2.502   1.650   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.073   0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.358   0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.356   0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.356   1.650   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.358   2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.073   1.650   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.070   2.062   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.070   0.412   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.785   0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.499   0.412   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.785   1.650   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       2.499  -0.412   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.214  -0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.928  -0.412   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.928   0.412   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.214   0.825   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       4.643  -0.825   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       5.357  -0.412   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       6.072  -0.825   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       6.072  -1.650   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       6.786  -2.062   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       7.501  -1.650   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       7.501  -0.825   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       6.786  -0.412   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1      -6.789   0.825   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1      -7.501   0.414   0.000  1.00  0.00           C  
HETATM   39  O   UNL     1      -6.789  -0.825   0.000  1.00  0.00           O  
HETATM   40  C   UNL     1      -6.789  -1.647   0.000  1.00  0.00           C  
HETATM   41  O   UNL     1      -5.360  -1.650   0.000  1.00  0.00           O  
HETATM   42  C   UNL     1      -4.648  -2.061   0.000  1.00  0.00           C  
CONECT    1   37    2    6                                            
CONECT    2   39    1    3                                            
CONECT    3   41    2    4                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10   13                                                 
CONECT   12   10                                                      
CONECT   13   11   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16                                                      
CONECT   20   15   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   24   28                                            
CONECT   23   21                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   22                                                 
CONECT   29   26   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
CONECT   37   38    1                                                 
CONECT   38   37                                                      
CONECT   39   40    2                                                 
CONECT   40   39                                                      
CONECT   41   42    3                                                 
CONECT   42   41                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D0C4YX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.628   0.224   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.628  -0.601   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.913  -1.014   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.199  -0.601   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.199   0.224   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.913   0.636   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.484   0.636   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.770   0.224   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -1.484   1.461   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1      -1.484  -1.014   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1      -1.398  -1.834   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.591  -2.006   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.178  -1.291   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.731  -0.678   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.255  -2.759   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.570  -2.759   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.982  -3.474   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.807  -3.474   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       2.220  -2.759   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       1.807  -2.045   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.982  -2.045   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.055   0.636   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.055   1.461   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.659   0.224   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       0.659  -0.601   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       1.374   0.636   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       1.374   1.461   0.000  1.00  0.00           O  
HETATM   28  N   UNL     1       2.088   0.224   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       0.528   2.045   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.353   2.045   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.766   2.759   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.353   3.474   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       0.528   3.474   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       0.116   2.759   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.803   0.636   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.628   0.636   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.215   1.351   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   22                                                 
CONECT    9    7                                                      
CONECT   10    4   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   12   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22    8   23   24                                            
CONECT   23   22   29                                                 
CONECT   24   22   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27   28                                            
CONECT   27   26                                                      
CONECT   28   26   35                                                 
CONECT   29   23   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   28   36   37                                            
CONECT   36   35   37                                                 
CONECT   37   36   35                                                 
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0C5HR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.079   2.706   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.079   1.884   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.791   1.473   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.503   1.884   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.503   2.706   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.791   3.117   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.285   1.630   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.768   2.295   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.285   2.960   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       0.791   3.939   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1      -0.633   1.473   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.633   0.651   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.345   0.239   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.345  -0.583   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.633  -0.994   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.079  -0.583   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.079   0.239   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.057   0.651   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.768   0.239   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.633  -1.816   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.079  -2.227   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1      -1.345  -2.227   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       0.079  -3.049   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.791  -3.460   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       1.503  -3.049   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       1.503  -2.227   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.791  -1.816   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.962  -4.264   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.780  -4.350   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.114  -3.599   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.079   4.350   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.633   3.939   0.000  1.00  0.00           C  
HETATM   33  H   UNL     1       0.126  -3.943   0.000  1.00  0.00           H  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    6   31                                                 
CONECT   11    2   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   13   19                                                 
CONECT   19   18                                                      
CONECT   20   15   21   22                                            
CONECT   21   20   23   27                                            
CONECT   22   20                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25   28   33                                       
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   21                                                 
CONECT   28   24   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   10   32                                                 
CONECT   32   31                                                      
CONECT   33   24                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0C5NT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.630   0.556   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.908   0.157   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.201   0.583   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.479   0.183   0.000  1.00  0.00           N  
HETATM    5  O   UNL     1      -1.217   1.407   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1      -0.464  -0.641   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.259  -1.040   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.965  -0.615   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.950   0.210   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.228   0.609   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.687  -1.014   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.703  -1.838   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.425  -2.237   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.131  -1.812   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.116  -0.987   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.394  -0.588   0.000  1.00  0.00           C  
HETATM   17 CL   UNL     1       2.378   0.237   0.000  1.00  0.00          Cl  
HETATM   18  C   UNL     1       3.846  -2.224   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.560  -1.812   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       5.275  -2.224   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       5.989  -1.812   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       4.560  -0.987   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1      -2.731   1.374   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.542   1.531   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.941   0.809   0.000  1.00  0.00           C  
HETATM   26  S   UNL     1      -3.377   0.206   0.000  1.00  0.00           S  
HETATM   27  C   UNL     1      -3.941   2.237   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.765   2.237   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.164   1.531   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.765   0.809   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -5.989   1.535   0.000  1.00  0.00           F  
HETATM   32  H   UNL     1       0.212   1.434   0.000  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.170  -1.067   0.000  1.00  0.00           H  
CONECT    1    2   23   26                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    5                                            
CONECT    4    3    6   10                                            
CONECT    5    3                                                      
CONECT    6    4    7   33                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    4   32                                            
CONECT   11    8   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   11   17                                            
CONECT   17   16                                                      
CONECT   18   14   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20                                                      
CONECT   22   19                                                      
CONECT   23    1   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26   30                                            
CONECT   26   25    1                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29   25                                                 
CONECT   31   29                                                      
CONECT   32   10                                                      
CONECT   33    6                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0C5RD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.735   0.633   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.021   0.221   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.021  -0.604   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.306  -1.017   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.592  -0.604   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.592   0.221   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.306   0.633   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.807  -0.859   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.322  -0.192   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.807   0.476   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.503  -0.192   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.915  -0.906   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.740  -0.906   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.153  -0.192   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.740   0.523   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.915   0.523   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.153   1.237   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.740   1.952   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       2.978  -0.192   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       3.390  -0.906   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.215  -0.906   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       4.628  -1.621   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       4.414  -2.417   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       5.106  -2.867   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.747  -2.348   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       5.452  -1.577   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.552   1.260   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.735   1.458   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.450   1.871   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.164   1.458   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.164   0.633   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.450   0.221   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.747   2.042   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.747   2.867   0.000  1.00  0.00           C  
CONECT    1    2   28   32                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    7   10                                            
CONECT    7    6    2                                                 
CONECT    8    5    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    6   27                                            
CONECT   11    9   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16   17                                            
CONECT   16   15   11                                                 
CONECT   17   15   18                                                 
CONECT   18   17                                                      
CONECT   19   14   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   22                                                 
CONECT   27   10                                                      
CONECT   28    1   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31    1                                                 
CONECT   33   30   34                                                 
CONECT   34   33                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0C5SQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.230   1.642   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.230   0.817   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.515   0.404   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.199   0.817   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.199   1.642   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.515   2.054   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.444  -0.988   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.913   2.054   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       1.628   1.642   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1       0.913   2.879   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       2.342   2.054   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.057   1.642   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       3.771   2.054   0.000  1.00  0.00           O  
HETATM   14  S   UNL     1      -1.935  -1.637   0.000  1.00  0.00           S  
HETATM   15  O   UNL     1      -1.118  -1.521   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1      -2.243  -2.403   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.426  -2.287   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.734  -3.052   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.225  -3.701   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.409  -3.585   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.101  -2.820   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.609  -2.171   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.984   1.152   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.536   0.539   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.123  -0.175   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.316  -0.004   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.260  -1.107   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.771  -0.459   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.566  -1.873   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.342   2.879   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       3.165   2.879   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       2.342   3.701   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       1.520   2.879   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   23   26                                       
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7   14   25   27                                            
CONECT    8    5    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11   30    9   12                                            
CONECT   12   11   13                                                 
CONECT   13   12                                                      
CONECT   14    7   15   16   17                                       
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17   14   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23    2   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26    7                                            
CONECT   26   25    2                                                 
CONECT   27    7   28   29                                            
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   31   32   33   11                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0C6GE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.622   0.084   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.797   0.080   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.385   0.794   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.441   0.794   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.696   1.579   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.028   2.064   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.639   1.579   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.853   0.080   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.678   0.080   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.091  -0.635   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.091   0.794   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1      -2.106   0.752   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.891   0.498   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.891  -0.327   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1      -2.106  -0.583   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1      -3.606   0.910   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.320   0.498   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.320  -0.327   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.606  -0.740   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.678  -1.349   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.091  -2.064   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.916  -2.064   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.328  -1.349   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.916  -0.635   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       3.328   0.080   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1       4.149   0.166   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       4.320   0.973   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.606   1.385   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       2.993   0.833   0.000  1.00  0.00           N  
CONECT    1    2   12   15                                            
CONECT    2    1    3                                                 
CONECT    3    4    7    2                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    3                                                 
CONECT    8    9    4                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   20   24                                            
CONECT   11    9                                                      
CONECT   12    1   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   19                                            
CONECT   15   14    1                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   10   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   10   25                                            
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   25                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0C6NX
  -OEChem-09301911292D

 39 41  0     1  0  0  0  0  0999 V2000
    2.0000   -3.7762    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.7479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.2521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    2.2479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.2521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9733    2.2177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -3.7521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0712    2.8357    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7622    3.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    3.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4532    2.8357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    1.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0222    2.5267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -0.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -2.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -2.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.7174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -3.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -2.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -3.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1682    2.2233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3686    3.9157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6974    4.4034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8270    4.4034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1557    3.9157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8868    3.0879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1432    2.2988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1841    1.3305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7856    0.6402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9331   -0.5621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9331   -1.9421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -1.0975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -4.4067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9331   -3.5621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284   -1.9192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2 12  2  0  0  0  0
  3 15  2  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  5 34  1  0  0  0  0
  6 14  3  0  0  0  0
  7 18  2  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  1  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 19 35  1  0  0  0  0
 20 23  2  0  0  0  0
 20 36  1  0  0  0  0
 21 24  2  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
M  END

$$$$
D0C6OW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.205  -0.411   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.788   0.172   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.523  -0.203   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.394  -1.017   0.000  1.00  0.00           C  
HETATM    5  S   UNL     1      -1.580  -1.147   0.000  1.00  0.00           S  
HETATM    6 CL   UNL     1      -2.978  -1.601   0.000  1.00  0.00          Cl  
HETATM    7  S   UNL     1      -0.380  -0.411   0.000  1.00  0.00           S  
HETATM    8  N   UNL     1       0.445  -0.411   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -0.963   0.172   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1      -0.793  -1.126   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.028   0.172   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.616   0.886   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.853   0.172   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       1.028   1.601   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       2.266   0.886   0.000  1.00  0.00           C  
HETATM   16  F   UNL     1       2.978   0.475   0.000  1.00  0.00           F  
HETATM   17  F   UNL     1       2.677   1.598   0.000  1.00  0.00           F  
HETATM   18  F   UNL     1       1.554   1.297   0.000  1.00  0.00           F  
HETATM   19  C   UNL     1       2.266  -0.543   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1       1.554  -0.954   0.000  1.00  0.00           F  
HETATM   21  F   UNL     1       2.677  -1.255   0.000  1.00  0.00           F  
HETATM   22  F   UNL     1       2.978  -0.132   0.000  1.00  0.00           F  
CONECT    1    2    5    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    1                                                 
CONECT    6    4                                                      
CONECT    7    1    8    9   10                                       
CONECT    8    7   11                                                 
CONECT    9    7                                                      
CONECT   10    7                                                      
CONECT   11   12    8   13                                            
CONECT   12   11   14                                                 
CONECT   13   15   19   11                                            
CONECT   14   12                                                      
CONECT   15   16   17   18   13                                       
CONECT   16   15                                                      
CONECT   17   15                                                      
CONECT   18   15                                                      
CONECT   19   20   21   22   13                                       
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   19                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0C7LB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.644   0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.644  -0.206   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.930  -0.619   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.215  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.215   0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.930   1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.501   1.031   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.786   0.619   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.072   1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.357   0.619   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.357  -0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.357  -0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.072  -0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.072   0.619   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.357   1.031   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.786  -0.619   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       2.501  -0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.215  -0.619   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.215  -1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.930  -1.856   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.644  -1.444   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       4.644  -0.619   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.930  -0.206   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.501   1.856   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1       2.501   0.619   0.000  1.00  0.00           O  
HETATM   26 CL   UNL     1      -5.359  -0.619   0.000  1.00  0.00          Cl  
HETATM   27 CL   UNL     1       5.359  -1.856   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3   26                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   24                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18   25                                            
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   27                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24    7                                                      
CONECT   25   17                                                      
CONECT   26    2                                                      
CONECT   27   21                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0C7ON
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.781  -0.101   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.781  -0.925   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.066  -1.338   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.352  -0.925   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.352  -0.101   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.066   0.312   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.433  -1.180   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.918  -0.513   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.433   0.154   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.688   0.939   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.066   1.137   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -2.495  -1.338   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.495   0.312   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.066  -2.163   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.485   1.153   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       2.068   0.569   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.698   1.950   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       2.495   2.163   0.000  1.00  0.00           O  
CONECT    1    2    6   13                                            
CONECT    2    1    3   12                                            
CONECT    3    2    4   14                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9   15                                                 
CONECT   11    6                                                      
CONECT   12    2                                                      
CONECT   13    1                                                      
CONECT   14    3                                                      
CONECT   15   10   16   17                                            
CONECT   16   15                                                      
CONECT   17   15   18                                                 
CONECT   18   17                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D0C8CI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287  -1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287  -2.062   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572  -2.475   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858  -2.062   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858  -1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.572  -0.825   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -2.143  -0.825   0.000  1.00  0.00           S  
HETATM    8  O   UNL     1      -1.429  -1.238   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.715  -0.825   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.727  -0.242   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1      -1.560  -0.242   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.000  -1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.715  -0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.715   0.000   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.000   0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.715   0.000   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM   18  CA  UNL     1       1.429   1.238   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.143   1.650   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.858   1.238   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.572   1.650   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       4.287   1.238   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       0.715   1.650   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       0.000   1.238   0.000  1.00  0.00           O  
HETATM   25  OXT UNL     1       0.715   2.475   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1       2.858   0.412   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1       3.572   2.475   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   10   11                                       
CONECT    8    7    9                                                 
CONECT    9    8   12   16                                            
CONECT   10    7                                                      
CONECT   11    7                                                      
CONECT   12    9   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15    9                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   26                                            
CONECT   21   20   22   27                                            
CONECT   22   21                                                      
CONECT   23   18   24   25                                            
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   20                                                      
CONECT   27   21                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0C8ZZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.617   0.619   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.097   0.206   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.812   0.619   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       1.526   0.206   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.241   0.619   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       0.812   1.444   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1       2.955   0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.670   0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.670   1.444   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.955   1.856   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.241   1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.955  -0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.670  -1.031   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       4.384  -0.619   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       4.384   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.670  -1.856   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.703   1.439   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.510   1.611   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.923   0.896   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.371   0.283   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.743   0.810   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.228   1.478   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.049   1.391   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.384   0.638   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.899  -0.030   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.079   0.056   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -4.235  -0.783   0.000  1.00  0.00           F  
HETATM   28  H   UNL     1      -2.594  -0.611   0.000  1.00  0.00           H  
HETATM   29  F   UNL     1       1.526   1.856   0.000  1.00  0.00           F  
CONECT    1    2   17   20                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4    7   11                                            
CONECT    6    3                                                      
CONECT    7    5    8   12                                            
CONECT    8    7    9   15                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    5   29                                            
CONECT   12    7   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14    8                                                 
CONECT   16   13                                                      
CONECT   17    1   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19    1                                                 
CONECT   21   19   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   21   28                                            
CONECT   27   25                                                      
CONECT   28   26                                                      
CONECT   29   11                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0C9FN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.855   0.385   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.140   0.798   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.426   0.385   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.288   0.798   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.003   0.385   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       1.718   0.798   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1       2.432   0.385   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.140   1.623   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       2.432  -0.440   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.146  -0.852   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.861  -0.440   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.861   0.385   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.146   0.798   0.000  1.00  0.00           C  
HETATM   14  F   UNL     1       3.146  -1.677   0.000  1.00  0.00           F  
HETATM   15  F   UNL     1       4.575   0.798   0.000  1.00  0.00           F  
HETATM   16  C   UNL     1       4.575  -0.852   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       5.290  -1.265   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       5.073  -0.140   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.163  -1.567   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.608   0.721   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.161   0.108   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1      -2.748  -0.607   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.941  -0.435   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.864   1.506   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.671   1.677   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.223   1.064   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.968   0.279   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.707  -0.351   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -5.290   0.232   0.000  1.00  0.00           O  
CONECT    1    2   20   23                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    9   13                                            
CONECT    8    2                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13   15                                            
CONECT   13   12    7                                                 
CONECT   14   10                                                      
CONECT   15   12                                                      
CONECT   16   11   17   18   19                                       
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19   16                                                      
CONECT   20    1   21   24                                            
CONECT   21   20   22   27                                            
CONECT   22   21   23                                                 
CONECT   23   22    1                                                 
CONECT   24   20   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   21   28                                            
CONECT   28   27   29                                                 
CONECT   29   28                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0C9NX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.321   0.062   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.908  -0.653   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.084  -0.653   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.329   0.062   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.084   0.776   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.908   0.776   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.154   0.062   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       1.567   0.776   0.000  1.00  0.00           O  
HETATM    9  N   UNL     1       1.567  -0.653   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       2.392  -0.653   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.804  -1.367   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.629  -1.367   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       4.042  -0.653   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.629   0.062   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.804   0.062   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.042   0.776   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.862   0.862   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       5.034   1.669   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.319   2.082   0.000  1.00  0.00           C  
HETATM   20  S   UNL     1       3.706   1.530   0.000  1.00  0.00           S  
HETATM   21  N   UNL     1       2.392  -2.082   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.321   1.491   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.146   1.491   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.558   0.776   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.146   0.062   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.384   0.776   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.796   1.491   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.621   1.491   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -5.034   0.776   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.621   0.062   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.796   0.062   0.000  1.00  0.00           C  
CONECT    1    2    6   25                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   22                                            
CONECT    7    4    8    9                                            
CONECT    8    7                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12   21                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   10                                                 
CONECT   16   14   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   16                                                 
CONECT   21   11                                                      
CONECT   22    6   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24    1                                                 
CONECT   26   24   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0C9RQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.344   1.399   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.344   0.574   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.989   0.059   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       1.794   0.243   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.152   0.986   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.794   1.730   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.989   1.913   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.806  -0.745   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.017  -0.988   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.166  -1.792   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.439  -2.354   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.227  -2.110   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.411  -1.306   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.977   0.986   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       2.217   2.438   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1       1.674   3.059   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.915   2.735   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1       0.255  -3.158   0.000  1.00  0.00          Cl  
HETATM   19  C   UNL     1       0.207   3.158   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       3.560   0.403   0.000  1.00  0.00           O  
HETATM   21  S   UNL     1       4.357   0.616   0.000  1.00  0.00           S  
HETATM   22  C   UNL     1      -0.370   1.811   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.085   1.399   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.085   0.574   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.370   0.161   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       4.143   1.413   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1       4.570  -0.180   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       5.154   0.830   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.799   0.161   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.553   0.497   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -3.105  -0.116   0.000  1.00  0.00           N  
HETATM   32  N   UNL     1      -2.692  -0.831   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1      -1.885  -0.659   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.028  -1.585   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.848  -1.671   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1      -4.333  -1.003   0.000  1.00  0.00           N  
HETATM   37  O   UNL     1      -4.184  -2.425   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1      -5.154  -1.090   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.998  -0.250   0.000  1.00  0.00           C  
CONECT    1    2    7   22                                            
CONECT    2    1    3   25                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   14                                            
CONECT    6    5    7   15                                            
CONECT    7    6    1   17                                            
CONECT    8    3    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   18                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    5   20                                                 
CONECT   15    6   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16    7   19                                            
CONECT   18   11                                                      
CONECT   19   17                                                      
CONECT   20   14   21                                                 
CONECT   21   20   26   27   28                                       
CONECT   22    1   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24    2                                                 
CONECT   26   21                                                      
CONECT   27   21                                                      
CONECT   28   21                                                      
CONECT   29   24   30   33                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   34                                            
CONECT   33   32   29                                                 
CONECT   34   32   35                                                 
CONECT   35   34   36   37                                            
CONECT   36   35   38   39                                            
CONECT   37   35                                                      
CONECT   38   36                                                      
CONECT   39   36                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0C9WD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.518   1.338   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.518   0.513   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.804   0.101   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.089   0.513   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.089   1.338   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.804   1.750   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.305   0.258   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.820   0.925   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.305   1.593   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1      -1.050  -0.527   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.253  -0.740   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.039  -1.537   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.331  -0.157   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.127  -0.370   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.341  -1.167   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.138  -1.381   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.721  -0.797   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.508  -0.000   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.711   0.213   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.497   1.010   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1       0.758  -1.750   0.000  1.00  0.00          Cl  
HETATM   22 CL   UNL     1       3.518  -1.011   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    7   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16   21                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   14   20                                            
CONECT   20   19                                                      
CONECT   21   15                                                      
CONECT   22   17                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0C9ZW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.077  -1.845   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.902  -1.845   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.315  -1.131   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.902  -0.416   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.077  -0.416   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.335  -1.131   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.437  -2.490   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.253  -3.295   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.490  -3.653   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.233  -3.295   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.417  -2.490   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.838  -3.856   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       2.626  -3.613   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.810  -2.808   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.205  -2.247   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.234  -2.277   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.817  -2.860   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.604  -3.657   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.807  -3.871   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1      -0.335   0.298   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.160   0.298   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.573   1.012   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.160   1.727   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.573   2.441   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.397   2.441   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.810   1.727   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.397   1.012   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.163   3.156   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1      -1.877   3.569   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -0.750   3.871   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -0.448   2.744   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   20                                            
CONECT    6    5    1                                                 
CONECT    7    1    8   16                                            
CONECT    8    7    9   19                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10    2   15                                            
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16    7   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18    8                                                 
CONECT   20    5   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   24   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0CB1C
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.073  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.073  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.359  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.644  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.644  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.359  -0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.930  -2.062   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.215  -1.650   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.215  -0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.930  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.501  -2.062   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.786  -1.650   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.786  -0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.501  -0.412   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.930   0.412   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.215   0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.501   0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.786   0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.072   0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.357   0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.357   0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.072   0.825   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.786   0.412   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.501   0.825   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       3.215   0.412   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.930   0.825   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.215  -0.412   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.644   0.412   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.359   0.825   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.359   1.650   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.644   2.062   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.930   1.650   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       6.073   0.412   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1       4.644  -0.412   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       5.356  -0.824   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10   14                                            
CONECT   10    9    5   15                                            
CONECT   11    8   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   10   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   28   32                                            
CONECT   27   25                                                      
CONECT   28   34   26   29                                            
CONECT   29   28   30   33                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   26                                                 
CONECT   33   29                                                      
CONECT   34   35   28                                                 
CONECT   35   34                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0CB8D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.099   0.578   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.099  -0.247   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.385  -0.659   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.330  -0.247   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.330   0.578   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.385   0.991   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.385  -1.484   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.099  -1.897   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.813  -1.484   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       1.044  -0.659   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.759  -0.247   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.473  -0.659   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.188  -0.247   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.188   0.578   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.473   0.991   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.759   0.578   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       3.833  -0.761   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       4.637  -0.578   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.995   0.166   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.637   0.909   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.833   1.093   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1       5.152   1.554   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       3.649  -1.565   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.649   1.897   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.813   0.991   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.813   1.816   0.000  1.00  0.00           O  
HETATM   27  N   UNL     1      -2.528   0.578   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.282   0.914   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.834   0.301   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.421  -0.414   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.614  -0.242   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.233  -1.148   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       5.960  -0.757   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       5.813   0.055   0.000  1.00  0.00           O  
HETATM   35  N   UNL     1      -4.654   0.387   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1      -5.067   1.101   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.874   0.930   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.960   0.109   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.206  -0.226   0.000  1.00  0.00           C  
CONECT    1    2    6   25                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8                                                      
CONECT   10    4   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15   21                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   13   18   23                                            
CONECT   18   17   19   32                                            
CONECT   19   18   20   34                                            
CONECT   20   19   21   22                                            
CONECT   21   20   14   24                                            
CONECT   22   20                                                      
CONECT   23   17                                                      
CONECT   24   21                                                      
CONECT   25    1   26   27                                            
CONECT   26   25                                                      
CONECT   27   25   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30   35                                            
CONECT   30   29   31                                                 
CONECT   31   30   27                                                 
CONECT   32   18   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   19                                                 
CONECT   35   29   36   39                                            
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   35                                                 
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0CC6Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.034  -0.968   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.319  -0.556   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.605  -0.968   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.109  -0.556   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.109   0.269   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.605   0.682   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.319   0.269   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.824   0.682   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.538   0.269   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.253   0.682   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.253   1.507   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.538   1.919   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.824   1.507   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       3.037   0.427   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       3.522   1.094   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.037   1.761   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.347   1.094   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       4.889   1.715   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.742   2.527   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       4.016   2.918   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       3.257   2.594   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.605   1.507   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       3.450  -0.288   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.748  -0.556   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.463  -0.968   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.463  -1.793   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.748  -2.206   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.034  -1.793   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.177  -2.206   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1      -4.588  -1.494   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -4.889  -2.617   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -3.766  -2.918   0.000  1.00  0.00           F  
CONECT    1    2   24   28                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    7   22                                            
CONECT    7    6    2                                                 
CONECT    8    5    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15   23                                            
CONECT   15   14   16   17                                            
CONECT   16   15   11   21                                            
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22    6                                                      
CONECT   23   14                                                      
CONECT   24    1   25                                                 
CONECT   25   24   26                                                 
CONECT   26   29   25   27                                            
CONECT   27   26   28                                                 
CONECT   28   27    1                                                 
CONECT   29   30   31   32   26                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0CC7A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.572   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.071   1.905   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.556   1.238   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.071   0.570   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.326   2.690   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.572  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.714   0.412   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1      -2.143  -0.412   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.714  -0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.000  -0.825   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.714  -0.412   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       0.714   0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.000   0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.429  -0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.143  -0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.858  -0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.858  -1.650   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.572  -2.062   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.287  -1.650   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.287  -0.825   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.572  -0.412   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.071  -1.905   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       5.556  -1.238   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       5.071  -0.570   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       5.326  -2.690   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       3.572   0.412   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       2.143   0.412   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   11                                            
CONECT    4    3    5   12                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    7                                                      
CONECT   11    3                                                      
CONECT   12    4   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13   16   20                                            
CONECT   15   12                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   14                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23   34                                            
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28   31                                            
CONECT   28   27   23   33                                            
CONECT   29   26   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   27                                                 
CONECT   32   29                                                      
CONECT   33   28                                                      
CONECT   34   22                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0CC7E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.170  -0.691   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.420  -1.035   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.139  -0.427   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.266   0.291   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.075   0.128   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.738   0.620   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.495   0.292   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.589  -0.527   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.927  -1.019   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.964  -0.436   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.383   0.274   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.979   0.993   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.153   1.002   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.369  -1.155   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.194  -1.163   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.614  -0.453   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       2.209   0.266   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.518  -1.304   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.232  -1.717   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.614  -0.480   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.899  -0.892   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.258   1.717   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       1.161   1.717   0.000  1.00  0.00           N  
CONECT    1    2    5    9                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   10                                            
CONECT    4    3    5   13                                            
CONECT    5    4    1    6                                            
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   20                                            
CONECT    9    8    1                                                 
CONECT   10    3   11   14                                            
CONECT   11   10   12   17                                            
CONECT   12   11   13                                                 
CONECT   13   12    4   22                                            
CONECT   14   10   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   11                                                 
CONECT   18   14   19                                                 
CONECT   19   18                                                      
CONECT   20    8   21                                                 
CONECT   21   20                                                      
CONECT   22   23   13                                                 
CONECT   23   22                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0CD5P
  -OEChem-09301911222D

 60 62  0     1  0  0  0  0  0999 V2000
   12.5142    2.2488    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0501    2.2622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2762    3.2863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    0.7412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718   -2.3071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0108    1.3808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0175    3.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.2830    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.5320   -0.7830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    0.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1741    0.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -1.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3820    1.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -3.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -2.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1821    1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2800    2.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9142    1.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7821    2.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6462    1.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -1.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3821    2.7454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4082    3.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4762   -1.3656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8747   -0.6753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875   -2.1753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1860   -2.8656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.1630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7074    0.4077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -1.9376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8415    2.0623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    1.3717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6441   -3.7830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -4.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8841   -3.7830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4401   -2.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671   -1.9730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8201   -1.7460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5138    1.2854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3109    1.2823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1825    2.7289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3854    2.7320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2458    1.2787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0429    1.2757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6900    2.2073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9202    3.0534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0742    3.2836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7162    4.3211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8701    4.0909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1003    3.2448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3361   -2.6192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1 29  1  0  0  0  0
  1 31  1  0  0  0  0
  2 23  1  0  0  0  0
  2 27  1  0  0  0  0
  3 24  1  0  0  0  0
  3 32  1  0  0  0  0
  4 26  2  0  0  0  0
  5 30  1  0  0  0  0
  5 60  1  0  0  0  0
  6 30  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 16  1  0  0  0  0
 10 18  1  0  0  0  0
 11 13  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 14  1  0  0  0  0
 12 35  1  0  0  0  0
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 13 15  1  0  0  0  0
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 14 22  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 23  1  0  0  0  0
 17 38  1  0  0  0  0
 18 25  2  0  0  0  0
 18 39  1  0  0  0  0
 19 24  1  0  0  0  0
 19 40  1  0  0  0  0
 20 26  1  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
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 22 45  1  0  0  0  0
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 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 25 30  1  0  0  0  0
 27 28  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 29  1  0  0  0  0
 28 50  1  0  0  0  0
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 29 52  1  0  0  0  0
 29 53  1  0  0  0  0
 31 54  1  0  0  0  0
 31 55  1  0  0  0  0
 31 56  1  0  0  0  0
 32 57  1  0  0  0  0
 32 58  1  0  0  0  0
 32 59  1  0  0  0  0
M  END

$$$$
D0CD6Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858  -1.650   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.143  -2.062   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.429  -1.650   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.429  -0.825   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.143  -0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.572  -0.412   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -4.287  -0.825   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -4.287  -1.650   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.572  -2.062   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.572   0.412   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1      -0.714  -2.062   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1      -2.143   0.412   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.714   0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.000   0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.000   1.650   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.714   2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.429   1.650   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.714   2.062   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.429   1.650   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.143   2.062   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.143   2.888   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.429   3.300   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.714   2.888   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.858   3.300   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.572   2.888   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       4.287   3.300   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.714  -2.888   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.000  -3.300   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.714  -2.888   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.714  -2.062   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       0.000  -1.650   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.429  -3.300   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.143  -2.888   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1       2.858  -2.475   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   12                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   13                                            
CONECT    7    1    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    2                                                 
CONECT   11    7                                                      
CONECT   12    4   29   33                                            
CONECT   13    6   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27                                                      
CONECT   29   12   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   12                                                 
CONECT   34   31   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0CD8G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.844  -0.992   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.431  -1.706   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.606  -1.706   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.194  -0.992   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.606  -0.278   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.431  -0.278   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.387  -0.820   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.301   0.000   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.054   0.336   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.586   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.872   0.000   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.157   0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.157   1.238   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.872   1.650   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.586   1.238   0.000  1.00  0.00           C  
HETATM   16 CL   UNL     1      -2.301   1.650   0.000  1.00  0.00          Cl  
HETATM   17  N   UNL     1       0.557   0.000   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.272   0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.986   0.000   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.701   0.412   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.701   1.238   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       1.986   1.650   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       1.272   1.238   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.986   2.475   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.986  -0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.701  -1.238   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.415  -0.825   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.415   0.000   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       4.129   0.412   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       4.844   0.000   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       2.701  -2.062   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       3.415  -2.475   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10   16                                            
CONECT   16   15                                                      
CONECT   17   12   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20   25                                            
CONECT   20   19   21   28                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   18                                                 
CONECT   24   22                                                      
CONECT   25   19   26                                                 
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   20   29                                            
CONECT   29   28   30                                                 
CONECT   30   29                                                      
CONECT   31   26   32                                                 
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0CE7G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.959  -0.294   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.134  -0.294   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.722   0.421   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.134   1.135   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.959   1.135   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.372   0.421   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.582  -0.907   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.829  -0.572   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.915   0.249   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.496  -1.728   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.689  -1.899   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.277  -1.185   0.000  1.00  0.00           C  
HETATM   13  F   UNL     1      -1.551   1.718   0.000  1.00  0.00           F  
HETATM   14  C   UNL     1      -0.201   0.661   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.514   0.249   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.228   0.661   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.943   0.249   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.657   0.661   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.657   1.486   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.943   1.899   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.228   1.486   0.000  1.00  0.00           C  
HETATM   22  F   UNL     1       1.015  -0.135   0.000  1.00  0.00           F  
HETATM   23  O   UNL     1       3.372   1.899   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5   13                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8   10                                            
CONECT    8    7    9   12                                            
CONECT    9    8    3   14                                            
CONECT   10    7   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    8                                                 
CONECT   13    4                                                      
CONECT   14    9   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   21   22                                       
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   16                                                      
CONECT   23   19                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0CE8B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.357   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.357  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.357  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.072  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.072   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.357   0.412   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       1.786  -1.238   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       2.501  -0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.501   0.000   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.786   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.072   0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.786   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.501   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.215   0.000   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.501   1.238   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.072   1.238   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1      -1.072  -1.238   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.786  -0.825   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       3.215  -1.238   0.000  1.00  0.00           O  
CONECT    1    2    6   11                                            
CONECT    2    1    3   17                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   19                                            
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    1   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   11                                                      
CONECT   17    2   18                                                 
CONECT   18   17                                                      
CONECT   19    8                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D0CF4R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.841  -0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.841  -1.237   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.127  -1.649   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.413  -1.237   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.413  -0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.127   0.001   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.626  -0.157   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.111  -0.824   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.626  -1.492   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.302   0.001   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.302   0.826   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.413   1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.127   0.826   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.016  -0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.731   0.001   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.731   0.826   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.016   1.238   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.000  -1.126   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       0.302  -0.824   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1       0.302   1.651   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1       1.016   2.063   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       2.314   1.409   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.039  -2.206   0.000  1.00  0.00           O  
HETATM   24  H   UNL     1      -1.841   0.413   0.000  1.00  0.00           H  
HETATM   25  O   UNL     1       2.445   0.413   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       2.101   2.206   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.111   1.196   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   10   18                                       
CONECT    6    5    1   13   24                                       
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    2   23                                            
CONECT   10    5   11   14   19                                       
CONECT   11   10   12   17   20                                       
CONECT   12   11   13   20                                            
CONECT   13   12    6                                                 
CONECT   14   10   15   19                                            
CONECT   15   14   16   25                                            
CONECT   16   15   17   22   25                                       
CONECT   17   16   11   21                                            
CONECT   18    5                                                      
CONECT   19   10   14                                                 
CONECT   20   12   11                                                 
CONECT   21   17                                                      
CONECT   22   16   26   27                                            
CONECT   23    9                                                      
CONECT   24    6                                                      
CONECT   25   16   15                                                 
CONECT   26   22                                                      
CONECT   27   22                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0CF8Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.254   2.881   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.254   2.056   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.539   1.643   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.825   2.056   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.825   2.881   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.539   3.293   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.110   1.643   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.024   0.823   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.217   0.651   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -0.805   1.366   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.357   1.979   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.637   0.271   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.422   0.526   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.035  -0.026   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.863  -0.833   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.079  -1.088   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.466  -0.536   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -4.476  -1.385   0.000  1.00  0.00          Cl  
HETATM   19  C   UNL     1       0.016   1.452   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.501   0.785   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1       0.351   2.206   0.000  1.00  0.00           N  
HETATM   22  S   UNL     1       1.176   2.206   0.000  1.00  0.00           S  
HETATM   23  C   UNL     1       2.001   2.206   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       1.176   3.031   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1       1.176   1.381   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       2.414   1.491   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.239   1.491   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.651   2.206   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.239   2.920   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.414   2.920   0.000  1.00  0.00           C  
HETATM   31 CL   UNL     1       4.476   2.206   0.000  1.00  0.00          Cl  
HETATM   32  C   UNL     1       0.913   0.070   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       0.578  -0.683   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1       1.191  -1.236   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.905  -0.823   0.000  1.00  0.00           C  
HETATM   36  S   UNL     1       1.734  -0.016   0.000  1.00  0.00           S  
HETATM   37  C   UNL     1       1.105  -2.056   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       1.819  -2.469   0.000  1.00  0.00           C  
HETATM   39  N   UNL     1       1.819  -3.293   0.000  1.00  0.00           N  
HETATM   40  O   UNL     1       2.534  -2.056   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    8   11    4                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   19                                            
CONECT   11   10    7                                                 
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15                                                      
CONECT   19   10   20   21                                            
CONECT   20   19   32                                                 
CONECT   21   19   22                                                 
CONECT   22   21   23   24   25                                       
CONECT   23   22   26   30                                            
CONECT   24   22                                                      
CONECT   25   22                                                      
CONECT   26   23   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   23                                                 
CONECT   31   28                                                      
CONECT   32   20   33   36                                            
CONECT   33   32   34                                                 
CONECT   34   33   35   37                                            
CONECT   35   34   36                                                 
CONECT   36   35   32                                                 
CONECT   37   34   38                                                 
CONECT   38   37   39   40                                            
CONECT   39   38                                                      
CONECT   40   38                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0CG0D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.769   0.084   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.056   0.080   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.469   0.794   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.294   0.794   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.549   1.579   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.881   2.064   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.214   1.579   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.706   0.080   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.531   0.080   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.944  -0.635   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.944   0.794   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       2.531  -1.349   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.944  -2.064   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.769  -2.064   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.181  -1.349   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.769  -0.635   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       1.706  -1.349   0.000  1.00  0.00           N  
HETATM   18  N   UNL     1       1.221  -0.682   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       0.437  -0.937   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.437  -1.762   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       1.221  -2.017   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1      -1.253   0.752   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.038   0.498   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.038  -0.327   0.000  1.00  0.00           C  
HETATM   25  S   UNL     1      -1.253  -0.583   0.000  1.00  0.00           S  
HETATM   26  C   UNL     1      -2.752   0.910   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.467   0.498   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.467  -0.327   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.752  -0.740   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1      -4.181  -0.740   0.000  1.00  0.00           F  
CONECT    1    2   22   25                                            
CONECT    2    1    3                                                 
CONECT    3    4    7    2                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    3                                                 
CONECT    8    9    4                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   12   16                                            
CONECT   11    9                                                      
CONECT   12   10   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   10                                                 
CONECT   17   12   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   17                                                 
CONECT   22    1   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25   29                                            
CONECT   25   24    1                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28   24                                                 
CONECT   30   28                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0CG3V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.322  -0.568   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.322  -1.393   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.036  -1.805   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.036  -2.630   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.322  -3.043   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.607  -2.630   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.607  -1.805   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.823  -2.885   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.338  -2.218   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.823  -1.550   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.609  -0.753   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.188  -0.540   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.401   0.257   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.182   0.841   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.979   0.627   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.192  -0.170   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.032   1.637   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.746   2.050   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1      -0.683   2.050   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       0.746   2.875   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.460   3.287   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.460   4.112   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.746   4.525   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.032   4.112   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       0.032   3.287   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.410  -3.599   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.826  -4.312   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.410  -5.028   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.415  -5.028   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       0.831  -4.312   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       0.415  -3.599   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.628  -4.525   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.211  -3.942   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       2.040  -5.240   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       3.036  -3.942   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1       3.036  -3.117   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1       2.211  -3.117   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       1.414  -3.729   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       2.175   4.525   0.000  1.00  0.00           C  
HETATM   40  F   UNL     1       1.762   5.240   0.000  1.00  0.00           F  
HETATM   41  F   UNL     1       2.889   4.938   0.000  1.00  0.00           F  
HETATM   42  F   UNL     1       2.587   3.811   0.000  1.00  0.00           F  
CONECT    1    2                                                      
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7    8                                            
CONECT    7    6    2   10                                            
CONECT    8    6    9   26                                            
CONECT    9    8   10                                                 
CONECT   10    9    7   11                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   14   18   19                                            
CONECT   18   17   20                                                 
CONECT   19   17                                                      
CONECT   20   18   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   39                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26    8   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30   26                                                 
CONECT   32   30   33   34                                            
CONECT   33   32   35   37   38                                       
CONECT   34   32                                                      
CONECT   35   33   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   33                                                 
CONECT   38   33                                                      
CONECT   39   22   40   41   42                                       
CONECT   40   39                                                      
CONECT   41   39                                                      
CONECT   42   39                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D0CG8N
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.401   0.396   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.155  -0.392   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.351  -0.573   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.791   0.034   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.037   0.821   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.842   1.002   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.947  -1.292   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.138  -1.130   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.042  -0.311   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.322   0.093   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.613  -0.328   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.106   0.076   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       0.116   0.901   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1       0.816  -0.345   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.623  -1.153   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.342  -1.557   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.087  -1.574   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.535   0.059   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.245  -0.362   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.964   0.042   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.974   0.867   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.264   1.288   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.545   0.884   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       4.401   0.447   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       3.687   0.859   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1       3.274   0.145   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1       2.972   1.272   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       4.099   1.574   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    4   10                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13   14                                            
CONECT   13   12                                                      
CONECT   14   12   18                                                 
CONECT   15   11   16   17                                            
CONECT   16   15                                                      
CONECT   17   15                                                      
CONECT   18   14   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END

$$$$

$$$$

$$$$
D0CH3F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.454  -0.503   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.454  -1.329   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.739  -1.741   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.025  -1.329   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.025  -0.503   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.739  -0.091   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.168  -1.741   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.310  -0.091   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.404  -0.503   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.310  -1.741   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.119  -0.091   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.873  -0.426   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.425   0.187   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.012   0.901   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       1.205   0.730   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       2.348   1.655   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.168   1.741   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9                                                 
CONECT    9    8   11                                                 
CONECT   10    4                                                      
CONECT   11    9   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   11                                                 
CONECT   16   14   17                                                 
CONECT   17   16                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D0CH4M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.300   0.000   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.888  -0.714   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.062  -0.714   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.650   0.000   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.062   0.714   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.888   0.714   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.825   0.000   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.412  -0.714   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.412  -0.714   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.825  -1.429   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.650  -1.429   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.062  -0.714   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.650   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.825   0.000   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.888  -0.714   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.300   0.000   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       3.300  -1.429   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       2.888   0.714   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.412   0.714   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.412   0.714   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.825   1.429   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.412   2.143   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.412   2.143   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.825   1.429   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1       0.412  -2.143   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   19                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11   25                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16                                                      
CONECT   19    7   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   10                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0CH4O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.357  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.357  -1.031   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.072  -1.444   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.786  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.072   0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.571  -1.286   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1       3.056  -0.619   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.571   0.049   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.826  -2.071   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.274  -2.684   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.633  -2.242   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.357  -1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.072   1.031   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.357   1.444   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       1.786   1.444   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.786   2.269   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.501   2.681   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.215   2.269   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       3.930   2.681   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       3.930   3.506   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.215   3.919   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.501   3.506   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.644   3.919   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.786   3.919   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.072   3.506   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.357   3.919   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       3.215   1.444   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.072  -1.031   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.786  -1.444   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.786  -2.269   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1      -1.072  -2.681   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1      -0.357  -2.269   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1      -2.501  -2.681   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1      -3.215  -2.269   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.930  -2.681   0.000  1.00  0.00           C  
HETATM   37  N   UNL     1      -3.930  -3.506   0.000  1.00  0.00           N  
HETATM   38  C   UNL     1      -3.215  -3.919   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.501  -3.506   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.644  -3.919   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   14                                            
CONECT    7    4    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    7   11   12                                            
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13    2   29   33                                            
CONECT   14    6   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20   28                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18   25                                            
CONECT   24   21                                                      
CONECT   25   23   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26                                                      
CONECT   28   19                                                      
CONECT   29   13   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   13                                                 
CONECT   34   31   35   39                                            
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38   40                                            
CONECT   38   37   39                                                 
CONECT   39   38   34                                                 
CONECT   40   37                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0CH7Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.515   1.031   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.515   0.206   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.801  -0.206   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.086   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.086   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.801   1.444   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.699  -0.049   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.183   0.619   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.699   1.286   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       2.009   0.619   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.801   2.269   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -2.229  -0.206   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.229   1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.801  -1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.944   1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.659   1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.515  -1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.515  -2.269   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.421  -0.096   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.246  -0.096   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.659   0.619   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.246   1.333   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.421   1.333   0.000  1.00  0.00           C  
CONECT    1    2    6   13                                            
CONECT    2    1    3   12                                            
CONECT    3    2    4   14                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   19   23                                            
CONECT   11    6                                                      
CONECT   12    2                                                      
CONECT   13    1   15                                                 
CONECT   14    3   17                                                 
CONECT   15   13   16                                                 
CONECT   16   15                                                      
CONECT   17   14   18                                                 
CONECT   18   17                                                      
CONECT   19   10   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   10                                                 
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0CH8Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.357  -0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.357  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.072  -0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.072   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.357   0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.357   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.786   0.619   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.501   0.206   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1       1.786   1.444   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       3.215   0.619   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.930   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       4.644   0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       4.644   1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.930   1.856   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.215   1.444   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.930  -0.619   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.072  -1.031   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.786  -0.619   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.501   0.619   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.215   0.206   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.215  -0.619   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.930   0.619   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.644   0.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.644  -0.619   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.930  -1.031   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.501   1.444   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.501  -1.856   0.000  1.00  0.00           O  
CONECT    1    2    6   17                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   15                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   11                                                      
CONECT   17    1   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   28                                            
CONECT   21   20   22   24                                            
CONECT   22   21   23   27                                            
CONECT   23   22   18   29                                            
CONECT   24   21   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   20                                                      
CONECT   29   23                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0CI2I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.572   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.071   1.905   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.556   1.238   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.071   0.570   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.326   2.690   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.572  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.143  -0.412   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.714   0.412   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.714  -0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.000  -0.825   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.714  -0.412   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       0.714   0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.000   0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.429  -0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.143  -0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.858  -0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.858  -1.650   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.572  -2.062   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.287  -1.650   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.287  -0.825   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.572  -0.412   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.572   0.412   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.071  -1.905   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       5.556  -1.238   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       5.071  -0.570   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       5.326  -2.690   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   11                                            
CONECT    4    3    5   12                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    7                                                      
CONECT   11    3                                                      
CONECT   12    4   13   14                                            
CONECT   13   12   15                                                 
CONECT   14   12                                                      
CONECT   15   13   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   28   32                                            
CONECT   28   27   23   29                                            
CONECT   29   28                                                      
CONECT   30   26   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0CI3E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.492  -0.329   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.492  -1.154   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.778  -1.567   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.063  -1.154   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.063  -0.329   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.778   0.084   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.778   0.908   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.063   1.321   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.349   0.908   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.366   1.321   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.366   2.146   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.349   2.558   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.063   2.146   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.349  -1.567   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.349  -2.392   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       0.366  -1.154   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.080  -1.567   0.000  1.00  0.00           C  
HETATM   18  F   UNL     1      -3.207  -1.567   0.000  1.00  0.00           F  
HETATM   19  S   UNL     1       1.167  -2.387   0.000  1.00  0.00           S  
HETATM   20  C   UNL     1       1.974  -2.558   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.386  -1.844   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.834  -1.231   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.207  -1.758   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   14                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    4   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17                                                 
CONECT   17   16   19   22                                            
CONECT   18    2                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   17                                                 
CONECT   23   21                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0CI3N
  -OEChem-09301911232D

 49 53  0     0  0  0  0  0  0999 V2000
   10.5063   -5.6325    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9511    3.4719    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5851    0.4420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3171    0.4420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655   -3.5926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9831   -2.0788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6678    2.3194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3107    4.0143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5998    5.1710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1831   -1.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3171   -0.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1831   -2.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4511   -1.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0771   -2.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3171   -2.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4511   -2.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0771   -0.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5851   -0.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4511    1.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4511    0.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9831   -1.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464    2.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9570    3.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9257   -4.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2558    2.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892    4.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7974   -3.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9141   -5.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6576   -4.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7743   -5.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6461   -5.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3171   -3.1780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9142   -2.3680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8540    0.7520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0699    0.0967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8951   -0.0210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0481   -0.2480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2751   -1.0949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -3.8963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5189   -0.7251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8451    2.3330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8046   -2.9926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3736   -5.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933    2.9359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1981   -3.8188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7672   -6.2324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1858    5.6325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2065    5.2989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 23  1  0  0  0  0
  2 25  1  0  0  0  0
  3 20  2  0  0  0  0
  4 11  1  0  0  0  0
  4 20  1  0  0  0  0
  4 35  1  0  0  0  0
  5 14  1  0  0  0  0
  5 24  1  0  0  0  0
  5 40  1  0  0  0  0
  6 14  2  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 29  2  0  0  0  0
  8 26  2  0  0  0  0
  8 29  1  0  0  0  0
  9 26  1  0  0  0  0
  9 48  1  0  0  0  0
  9 49  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 17  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 18  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 21  2  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 19 25  2  0  0  0  0
 21 41  1  0  0  0  0
 22 23  2  0  0  0  0
 23 26  1  0  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
 25 42  1  0  0  0  0
 27 30  1  0  0  0  0
 27 43  1  0  0  0  0
 28 31  2  0  0  0  0
 28 44  1  0  0  0  0
 29 45  1  0  0  0  0
 30 32  2  0  0  0  0
 30 46  1  0  0  0  0
 31 32  1  0  0  0  0
 31 47  1  0  0  0  0
M  END

$$$$
D0CI4A
  -OEChem-09301911262D

 57 61  0     0  0  0  0  0  0999 V2000
    5.5060   -2.5413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9270   -0.3847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4629    0.6153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8648   -0.8847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7899   -2.0827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0610    1.1153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7308   -0.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5968   -0.8847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7308    0.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4629   -0.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5968    1.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3289    1.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9570   -0.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7617   -1.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1949    0.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892   -1.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464    0.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3107   -1.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6678    0.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9270    0.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7930    1.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6590    0.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7930    2.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5251    1.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5251    2.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6590    2.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4190    0.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4190    2.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3251    1.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3251    2.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7308   -1.0047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1983   -1.3597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9954   -1.3597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5188    1.1979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1202    0.5076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6749   -0.9673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0734   -0.2771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9954    1.5902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1983    1.5902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7274    1.5902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9304    1.5902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7964    0.1403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5934    0.1403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5397   -2.6499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0604    0.9324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8966   -1.4792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0610    1.7353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4752    1.2664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933    0.0607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6590   -0.0047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2561    2.4253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6590    3.2353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4118   -0.0394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4118    3.2699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8608    0.7824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8608    2.4482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 21  2  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 14  1  0  0  0  0
  5 16  1  0  0  0  0
  5 45  1  0  0  0  0
  6 15  1  0  0  0  0
  6 21  1  0  0  0  0
  6 48  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 32  1  0  0  0  0
  8 10  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 11  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 15  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 46  1  0  0  0  0
 18 20  1  0  0  0  0
 18 47  1  0  0  0  0
 19 20  2  0  0  0  0
 19 49  1  0  0  0  0
 20 50  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 51  1  0  0  0  0
 24 27  2  0  0  0  0
 24 52  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  2  0  0  0  0
 26 27  1  0  0  0  0
 26 29  2  0  0  0  0
 27 53  1  0  0  0  0
 28 30  1  0  0  0  0
 28 54  1  0  0  0  0
 29 31  1  0  0  0  0
 29 55  1  0  0  0  0
 30 31  2  0  0  0  0
 30 56  1  0  0  0  0
 31 57  1  0  0  0  0
M  END

$$$$
D0CI9L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.652  -1.286   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.867  -1.032   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.867  -0.207   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.649   0.049   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.135  -0.617   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.153  -1.446   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.438  -1.032   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.438  -0.207   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.153   0.207   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.153   1.032   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.439   1.444   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.439   2.269   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.153   2.682   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.868   2.269   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.868   1.444   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.277  -1.444   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       0.991  -1.032   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.706  -1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.706  -2.269   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.421  -2.681   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.135  -2.269   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.135  -1.444   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.421  -1.032   0.000  1.00  0.00           N  
HETATM   24  F   UNL     1       0.992  -2.682   0.000  1.00  0.00           F  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    1                                                 
CONECT    6    2    7                                                 
CONECT    7    6    8   16                                            
CONECT    8    7    9                                                 
CONECT    9    8    3   10                                            
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    7   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   19                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0CJ7F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.509   2.765   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.509   1.940   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.223   1.527   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.938   1.940   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.938   2.765   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.223   3.177   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.206   3.177   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.920   2.765   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.920   1.940   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.206   1.527   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.635   3.177   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.349   2.765   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.064   3.177   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.778   2.765   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.778   1.940   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.064   1.527   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.349   1.940   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.223   0.702   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.938   0.290   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       0.509   0.290   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       1.938  -0.535   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.223  -0.948   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.223  -1.773   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.938  -2.185   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.652  -1.773   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.652  -0.948   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       0.509  -2.185   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -0.245  -1.850   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.797  -2.463   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -0.385  -3.177   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       0.422  -3.006   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.618  -2.377   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1      -3.064   0.702   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1      -2.349   0.290   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.349  -0.535   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1      -1.635   0.702   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1      -3.017  -1.020   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.762  -1.805   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.937  -1.805   0.000  1.00  0.00           C  
HETATM   40  N   UNL     1      -1.682  -1.020   0.000  1.00  0.00           N  
HETATM   41  C   UNL     1       3.366  -2.185   0.000  1.00  0.00           C  
HETATM   42  F   UNL     1       2.953  -2.900   0.000  1.00  0.00           F  
HETATM   43  F   UNL     1       2.651  -1.773   0.000  1.00  0.00           F  
HETATM   44  F   UNL     1       3.778  -1.471   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4   18                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    2                                                 
CONECT   11    8   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   33                                            
CONECT   17   16   12                                                 
CONECT   18    3   19   20                                            
CONECT   19   18   21                                                 
CONECT   20   18                                                      
CONECT   21   19   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   41                                            
CONECT   26   25   21                                                 
CONECT   27   23   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   27                                                 
CONECT   32   29                                                      
CONECT   33   16   34                                                 
CONECT   34   33   35   36                                            
CONECT   35   34   37   40                                            
CONECT   36   34                                                      
CONECT   37   35   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   35                                                 
CONECT   41   25   42   43   44                                       
CONECT   42   41                                                      
CONECT   43   41                                                      
CONECT   44   41                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
M  END

$$$$
D0CL1D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.278  -1.545   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.278  -2.370   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.564  -2.782   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.849  -2.370   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.849  -1.545   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.564  -1.132   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.135  -1.132   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.420  -1.545   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.706  -1.132   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.009  -1.545   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.723  -1.132   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.438  -1.545   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       2.152  -1.132   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.866  -1.545   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.581  -1.132   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.706  -0.307   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       0.723  -0.307   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.438  -2.370   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       4.335  -1.468   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.887  -0.855   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       4.474  -0.140   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1       3.667  -0.312   0.000  1.00  0.00           O  
HETATM   23 BR   UNL     1       5.707  -0.941   0.000  1.00  0.00          Br  
HETATM   24  C   UNL     1       1.438   0.105   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.234  -0.108   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       2.684   0.584   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.165   1.225   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.394   0.929   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.294   2.040   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.653   2.559   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.882   2.263   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.753   1.448   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.993  -1.132   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.707  -1.545   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.707  -2.370   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.993  -2.782   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1       0.241   2.782   0.000  1.00  0.00           F  
CONECT    1    2    6   33                                            
CONECT    2    1    3   36                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   16                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   17                                            
CONECT   12   11   13   18                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   19   22                                            
CONECT   16    9                                                      
CONECT   17   11   24                                                 
CONECT   18   12                                                      
CONECT   19   15   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   15                                                 
CONECT   23   20                                                      
CONECT   24   17   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   24   32                                            
CONECT   29   27   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   37                                            
CONECT   32   31   28                                                 
CONECT   33    1   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35    2                                                 
CONECT   37   31                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0CL2E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.858   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.858   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429   0.412   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.715   0.825   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.715   1.650   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.429   2.062   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.143  -0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.143  -1.650   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.429  -2.062   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.715  -1.650   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.715  -0.825   0.000  1.00  0.00           C  
HETATM   17  H   UNL     1       0.000  -0.412   0.000  1.00  0.00           H  
HETATM   18  C   UNL     1       0.000   2.062   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.715   1.650   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       0.000   2.888   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       1.429   2.062   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.715   0.825   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.143   1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.858   2.062   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1       3.572   1.650   0.000  1.00  0.00           F  
HETATM   26  I   UNL     1      -1.429  -2.888   0.000  1.00  0.00           I  
HETATM   27  H   UNL     1       0.000  -2.062   0.000  1.00  0.00           H  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   18                                            
CONECT   10    9    5                                                 
CONECT   11    7   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   26                                            
CONECT   15   14   16   27                                            
CONECT   16   15   11   17                                            
CONECT   17   16                                                      
CONECT   18    9   19   20                                            
CONECT   19   18   21   22                                            
CONECT   20   18                                                      
CONECT   21   19   23                                                 
CONECT   22   19                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24                                                      
CONECT   26   14                                                      
CONECT   27   15                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0CM5P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.857  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.857   0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.428  -1.444   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.714  -1.031   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.714  -0.206   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.428   0.206   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.428   1.031   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1       0.001   0.206   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.001   1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.715   1.444   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.714   1.444   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.430   1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.144   1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.144   2.269   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.430   2.681   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.715   2.269   0.000  1.00  0.00           C  
HETATM   21 BR   UNL     1       0.001   2.681   0.000  1.00  0.00          Br  
HETATM   22  C   UNL     1       0.001  -1.444   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.001  -2.269   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.715  -2.681   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.430  -2.269   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.430  -1.444   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.715  -1.031   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1       2.144  -2.681   0.000  1.00  0.00           F  
HETATM   29  O   UNL     1       2.857   1.445   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       3.572   1.033   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   22                                            
CONECT    9    8   10   12                                            
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    9   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13   16   20                                            
CONECT   15   13                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18   29                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   14   21                                            
CONECT   21   20                                                      
CONECT   22    8   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   25                                                      
CONECT   29   17   30                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0CN2Q
  -OEChem-09301911242D

 88 91  0     1  0  0  0  0  0999 V2000
    7.1962   -1.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    6.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1962   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    6.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7320    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    7.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -7.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    3.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    2.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    4.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    4.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    4.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    4.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    5.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    7.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    7.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    7.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -6.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -7.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -6.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -6.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -7.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -7.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1  8  1  0  0  0  0
  1 25  1  0  0  0  0
  2 19  2  0  0  0  0
  3 23  2  0  0  0  0
  6 43  1  0  0  0  0
  6 44  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 19  1  0  0  0  0
 20  8  1  6  0  0  0
  8 64  1  0  0  0  0
  9 23  1  0  0  0  0
  9 32  1  0  0  0  0
  9 67  1  0  0  0  0
 10 36  1  0  0  0  0
 10 79  1  0  0  0  0
 10 80  1  0  0  0  0
 11 36  2  0  0  0  0
 11 81  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 17  1  0  0  0  0
 12 46  1  0  0  0  0
 13 15  1  0  0  0  0
 13 47  1  0  0  0  0
 13 48  1  0  0  0  0
 14 16  1  0  0  0  0
 14 49  1  0  0  0  0
 14 50  1  0  0  0  0
 15 51  1  0  0  0  0
 15 52  1  0  0  0  0
 16 53  1  0  0  0  0
 16 54  1  0  0  0  0
 17 18  1  0  0  0  0
 17 55  1  0  0  0  0
 17 56  1  0  0  0  0
 18 21  1  0  0  0  0
 18 57  1  0  0  0  0
 18 58  1  0  0  0  0
 19 20  1  0  0  0  0
 20 22  1  0  0  0  0
 20 59  1  0  0  0  0
 21 23  1  0  0  0  0
 21 60  1  0  0  0  0
 21 61  1  0  0  0  0
 22 24  1  0  0  0  0
 22 62  1  0  0  0  0
 22 63  1  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 29  1  0  0  0  0
 25 31  2  0  0  0  0
 26 28  1  0  0  0  0
 26 65  1  0  0  0  0
 27 30  2  0  0  0  0
 27 66  1  0  0  0  0
 28 33  2  0  0  0  0
 28 36  1  0  0  0  0
 29 34  2  0  0  0  0
 29 68  1  0  0  0  0
 30 33  1  0  0  0  0
 30 69  1  0  0  0  0
 31 35  1  0  0  0  0
 31 70  1  0  0  0  0
 32 71  1  0  0  0  0
 32 72  1  0  0  0  0
 32 73  1  0  0  0  0
 33 74  1  0  0  0  0
 34 37  1  0  0  0  0
 34 38  1  0  0  0  0
 35 37  2  0  0  0  0
 35 75  1  0  0  0  0
 37 76  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 39 41  1  0  0  0  0
 39 77  1  0  0  0  0
 40 42  2  0  0  0  0
 40 78  1  0  0  0  0
 41 43  2  0  0  0  0
 41 82  1  0  0  0  0
 42 43  1  0  0  0  0
 42 83  1  0  0  0  0
 44 45  1  0  0  0  0
 44 84  1  0  0  0  0
 44 85  1  0  0  0  0
 45 86  1  0  0  0  0
 45 87  1  0  0  0  0
 45 88  1  0  0  0  0
M  END

$$$$
D0CP6B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.858  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143  -1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429   0.000   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.715   0.412   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.000   0.000   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.715   0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.429   0.000   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.143   0.412   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       2.143   1.238   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.715   1.238   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       2.858   0.000   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.572  -1.238   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.858  -0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.572   0.412   0.000  1.00  0.00           C  
CONECT    1    2    3                                                 
CONECT    2    1    6                                                 
CONECT    3    1    4   15                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    2    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11                                                      
CONECT   13    9                                                      
CONECT   14   11   16   17                                            
CONECT   15    3                                                      
CONECT   16   14                                                      
CONECT   17   14                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D0CR0H
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.908   1.456   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.908   0.630   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.623   0.218   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       3.337   0.630   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       3.337   1.456   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.623   1.868   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1       4.052   1.868   0.000  1.00  0.00          Cl  
HETATM    8  N   UNL     1       1.194   0.218   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.479   0.630   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.235   0.218   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.235  -0.607   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.479  -1.020   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.194  -0.607   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       0.479   1.456   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.908  -1.020   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.623  -0.607   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.908  -1.845   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.950   0.630   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.664   0.218   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.664  -0.607   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.950  -1.020   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.378  -1.020   0.000  1.00  0.00           N  
HETATM   23 CL   UNL     1      -0.950  -1.845   0.000  1.00  0.00          Cl  
HETATM   24  C   UNL     1      -4.052  -1.153   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.639  -1.868   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.816  -1.868   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    2    9   13                                            
CONECT    9    8   10   14                                            
CONECT   10    9   11   18                                            
CONECT   11   10   12   21                                            
CONECT   12   11   13                                                 
CONECT   13   12    8   15                                            
CONECT   14    9                                                      
CONECT   15   13   16   17                                            
CONECT   16   15                                                      
CONECT   17   15                                                      
CONECT   18   10   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   11   23                                            
CONECT   22   20   26                                                 
CONECT   23   21                                                      
CONECT   24   25                                                      
CONECT   25   24   26                                                 
CONECT   26   22   25                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0CR0Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -0.298   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.501  -1.123   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.786  -1.535   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -1.123   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072  -0.298   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   0.115   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.357  -1.535   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.357  -1.123   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.072  -1.535   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.786  -1.123   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.786  -0.298   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.072   0.115   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.357  -0.298   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       2.501  -1.535   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       3.215  -1.123   0.000  1.00  0.00           C  
HETATM   16  F   UNL     1       3.930  -0.710   0.000  1.00  0.00           F  
HETATM   17  F   UNL     1       3.215  -0.298   0.000  1.00  0.00           F  
HETATM   18  F   UNL     1       3.930  -1.535   0.000  1.00  0.00           F  
HETATM   19  O   UNL     1      -3.215   0.115   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.930  -0.298   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.304   0.004   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.061   0.792   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.525   1.474   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.348   1.535   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.909   0.930   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.112   1.144   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.326   0.347   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.611   0.760   0.000  1.00  0.00           C  
CONECT    1    2    6   19                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   21                                            
CONECT    6    5    1   25                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15                                                 
CONECT   15   14   16   17   18                                       
CONECT   16   15                                                      
CONECT   17   15                                                      
CONECT   18   15                                                      
CONECT   19    1   20                                                 
CONECT   20   19                                                      
CONECT   21    5   22   28                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24    6   26                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   21                                                 
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0CR2E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  S   UNL     1      -0.027   0.667   0.000  1.00  0.00           S  
HETATM    2  N   UNL     1      -0.240  -0.129   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.452  -0.579   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       1.093  -0.059   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.797   0.711   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.010  -0.425   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.807  -0.211   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.807   0.614   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.522   1.026   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.236   0.614   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.236  -0.211   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.522  -0.624   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.807  -0.472   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.522  -0.059   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       1.246   1.403   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       0.495  -1.403   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1       3.236  -0.472   0.000  1.00  0.00           O  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4   16                                            
CONECT    4    3    5   13                                            
CONECT    5    4    1   15                                            
CONECT    6    2    7                                                 
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    4   14                                                 
CONECT   14   13   17                                                 
CONECT   15    5                                                      
CONECT   16    3                                                      
CONECT   17   14                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D0CR9A
  -OEChem-09301911262D

 68 71  0     0  0  0  0  0  0999 V2000
    8.1282    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6583   -1.7742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6583    0.2742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8882   -1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8766   -2.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7817    2.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7368   -3.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9215    3.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7942   -1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8882    0.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -0.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7252   -4.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6085   -2.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9331    4.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0498    2.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7942   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2673   -2.6699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6578   -3.3647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3910    2.6699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0005    3.3647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7440   -2.6746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3882    3.6108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8810    0.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -0.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0862   -1.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8592   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7062   -2.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5722    1.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7991    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9522    2.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1053   -4.2873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7181   -4.9145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3452   -4.3017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9123   -3.3451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1490   -2.5008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3048   -2.2641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5531    4.2873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9403    4.9145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3131    4.3017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7460    3.3451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5093    2.5008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3536    2.2641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6651    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9932   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5913   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0671    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  1 65  1  0  0  0  0
  2 24  1  0  0  0  0
  2 66  1  0  0  0  0
  3 25  1  0  0  0  0
  3 67  1  0  0  0  0
  4 26  1  0  0  0  0
  4 68  1  0  0  0  0
  5 27  2  0  0  0  0
  6 28  2  0  0  0  0
  7 37  2  0  0  0  0
  8 38  2  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
  9 23  2  0  0  0  0
 10 20  1  0  0  0  0
 10 24  2  0  0  0  0
 11 13  2  0  0  0  0
 11 17  1  0  0  0  0
 11 25  1  0  0  0  0
 12 14  2  0  0  0  0
 12 18  1  0  0  0  0
 12 26  1  0  0  0  0
 13 15  1  0  0  0  0
 13 27  1  0  0  0  0
 14 16  1  0  0  0  0
 14 28  1  0  0  0  0
 15 21  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 22  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 23  1  0  0  0  0
 17 29  2  0  0  0  0
 18 24  1  0  0  0  0
 18 30  2  0  0  0  0
 19 25  2  0  0  0  0
 19 31  1  0  0  0  0
 20 26  2  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 43  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 44  1  0  0  0  0
 27 37  1  0  0  0  0
 28 38  1  0  0  0  0
 29 37  1  0  0  0  0
 29 45  1  0  0  0  0
 30 38  1  0  0  0  0
 30 46  1  0  0  0  0
 31 47  1  0  0  0  0
 31 48  1  0  0  0  0
 31 49  1  0  0  0  0
 32 50  1  0  0  0  0
 32 51  1  0  0  0  0
 32 52  1  0  0  0  0
 33 53  1  0  0  0  0
 33 54  1  0  0  0  0
 33 55  1  0  0  0  0
 34 56  1  0  0  0  0
 34 57  1  0  0  0  0
 34 58  1  0  0  0  0
 35 59  1  0  0  0  0
 35 60  1  0  0  0  0
 35 61  1  0  0  0  0
 36 62  1  0  0  0  0
 36 63  1  0  0  0  0
 36 64  1  0  0  0  0
M  END

$$$$
D0CS9R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.420   0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.420   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.705  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.991   0.000   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.991   0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.705   1.238   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.705   2.062   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.991   2.475   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.276   2.062   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.562   2.475   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.562   3.300   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.276   3.712   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.991   3.300   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -0.847   2.062   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.761   1.242   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.046   1.071   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.458   1.785   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.094   2.398   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.313   0.629   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.058  -0.156   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.251  -0.327   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.301   0.286   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.108   0.114   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.705  -1.238   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.420  -1.650   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1      -2.991  -1.650   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.991  -2.475   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.276  -2.887   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.562  -2.475   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.562  -1.650   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.276  -1.238   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.847  -2.888   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1      -0.133  -2.475   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1      -0.847  -3.712   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       1.660   0.728   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.467   0.556   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       2.802  -0.198   0.000  1.00  0.00           C  
HETATM   38  S   UNL     1       3.623  -0.111   0.000  1.00  0.00           S  
HETATM   39  C   UNL     1       3.794   0.696   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       3.080   1.108   0.000  1.00  0.00           C  
HETATM   41  O   UNL     1       4.420  -0.325   0.000  1.00  0.00           O  
HETATM   42  O   UNL     1       3.836  -0.908   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   24                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15   18                                            
CONECT   15   14   16   19                                            
CONECT   16   15   17   22                                            
CONECT   17   16   18                                                 
CONECT   18   17   14                                                 
CONECT   19   15   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   16   23                                            
CONECT   23   22   35                                                 
CONECT   24    3   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   29   33   34                                            
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   23   36                                                 
CONECT   36   35   37   40                                            
CONECT   37   36   38                                                 
CONECT   38   37   39   41   42                                       
CONECT   39   38   40                                                 
CONECT   40   39   36                                                 
CONECT   41   38                                                      
CONECT   42   38                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D0CT4T
  -OEChem-09301911222D

 58 61  0     1  0  0  0  0  0999 V2000
    3.8660   -2.5070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641   -4.8730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320   -4.8730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.0070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.9930    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.5981   -0.5070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -2.5070    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0981   -3.3730    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5981   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -2.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981   -4.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -1.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    2.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    0.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    3.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    3.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    3.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    4.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    3.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    4.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    5.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -0.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    5.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8395    2.5919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7585   -1.9081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8923    2.6036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174    1.7810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250    0.7285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9750    0.7285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6970   -3.5335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1807   -2.7190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7057   -1.8964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2646    2.9680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4675    2.9680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8101    1.9104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2087    2.6007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291    0.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    0.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641   -5.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    3.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0201    2.9561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    3.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6401    4.0300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    5.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    6.1130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440    0.0299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -0.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8240   -1.0439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6401    4.9561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    5.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0201    6.0300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 15  1  0  0  0  0
  2 46  1  0  0  0  0
  3 15  2  0  0  0  0
  4 19  1  0  0  0  0
  4 29  1  0  0  0  0
  5 13  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 16  1  0  0  0  0
  6 21  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 16  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 20 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 47  1  0  0  0  0
 25 28  1  0  0  0  0
 25 30  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 28  2  0  0  0  0
 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
 30 56  1  0  0  0  0
 30 57  1  0  0  0  0
 30 58  1  0  0  0  0
M  END

$$$$
D0CT9O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.205   0.807   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.205  -0.018   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.491  -0.431   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.776  -0.018   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.776   0.807   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.491   1.219   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.062  -0.431   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.653  -0.018   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.653   0.807   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.062   1.219   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.367  -0.431   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.082  -0.018   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.796  -0.431   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.511  -0.018   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.225  -0.431   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.920   1.219   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.006   2.040   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.813   2.211   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.225   1.497   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.673   0.883   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.228   1.668   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.228   2.493   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.513   2.906   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.920  -0.431   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.673  -0.095   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1      -4.225  -0.709   0.000  1.00  0.00           N  
HETATM   27  N   UNL     1      -3.813  -1.423   0.000  1.00  0.00           N  
HETATM   28  N   UNL     1      -3.006  -1.251   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -1.491  -1.256   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.205  -1.668   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.205  -2.493   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.491  -2.906   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.776  -2.493   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.776  -1.668   0.000  1.00  0.00           C  
CONECT    1    2    6   16                                            
CONECT    2    1    3   24                                            
CONECT    3    2    4   29                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    8   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14                                                      
CONECT   16    1   17   20   21                                       
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   16                                                 
CONECT   21   16   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22                                                      
CONECT   24    2   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   24                                                 
CONECT   29    3   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0CV5F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.588   0.861   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.374   0.064   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.550   0.020   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.255   0.791   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.896   1.310   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.896   2.135   0.000  1.00  0.00           O  
HETATM    7  O   UNL     1      -2.302   1.273   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.886   0.690   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.683   0.903   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.266   0.320   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.052  -0.477   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.256  -0.691   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.672  -0.107   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.636  -1.060   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.433  -0.847   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.016  -1.430   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.803  -2.227   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.006  -2.441   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.422  -1.857   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.460   1.203   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.174   0.791   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.889   1.203   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.889   2.028   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.174   2.441   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.460   2.028   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.603   2.441   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       3.318   2.028   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.032   2.441   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       4.746   2.028   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       4.746   1.203   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.531   0.948   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       6.016   1.616   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       5.531   2.283   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       2.603   0.791   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       3.315   1.202   0.000  1.00  0.00           C  
CONECT    1    2    5    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   20                                            
CONECT    5    4    1    6                                            
CONECT    6    5                                                      
CONECT    7    1    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20    4   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   34   21   23                                            
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   33                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   29                                                 
CONECT   34   35   22                                                 
CONECT   35   34                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0CV8R
  -OEChem-09301911232D

 65 68  0     0  0  0  0  0  0999 V2000
    6.5155    5.5170    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5584    5.1046    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5655    0.6388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -2.1274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9192    1.1769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600   -1.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600   -1.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -0.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5870   -3.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3600   -0.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3600   -2.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5870    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9192   -3.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2298   -4.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9407   -3.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2298    2.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5620   -5.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2728   -4.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5620    2.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5835   -5.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8726    3.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5835    2.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2048    4.5665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9156    3.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2263    4.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4800   -1.3227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9696   -3.5658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1339   -2.7859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.9427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8969   -0.7666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    0.0803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8230   -0.1466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8230   -2.4987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700   -2.7256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8969   -1.8787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125    1.0490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8365   -4.9006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7480   -3.0267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7768    1.8354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6124    2.6153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7546   -6.1064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6661   -4.2324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1694   -5.7723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.6327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.8596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -0.8227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -0.8227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4793    3.9501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3909    2.0762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3090    3.2819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 33  1  0  0  0  0
  2 35  1  0  0  0  0
  3 19  1  0  0  0  0
  3 24  1  0  0  0  0
  4 17  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  6 17  1  0  0  0  0
  6 23  1  0  0  0  0
  6 48  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 36  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 16  1  0  0  0  0
 12 18  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 19  2  0  0  0  0
 13 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 20  2  0  0  0  0
 16 46  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 20 47  1  0  0  0  0
 21 25  1  0  0  0  0
 21 49  1  0  0  0  0
 22 26  2  0  0  0  0
 22 50  1  0  0  0  0
 23 27  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
 24 29  1  0  0  0  0
 24 30  1  0  0  0  0
 24 53  1  0  0  0  0
 25 28  2  0  0  0  0
 25 54  1  0  0  0  0
 26 28  1  0  0  0  0
 26 55  1  0  0  0  0
 27 31  2  0  0  0  0
 27 32  1  0  0  0  0
 28 56  1  0  0  0  0
 29 57  1  0  0  0  0
 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
 30 60  1  0  0  0  0
 30 61  1  0  0  0  0
 30 62  1  0  0  0  0
 31 33  1  0  0  0  0
 31 63  1  0  0  0  0
 32 34  2  0  0  0  0
 32 64  1  0  0  0  0
 33 35  2  0  0  0  0
 34 35  1  0  0  0  0
 34 65  1  0  0  0  0
M  END

$$$$
D0CV8T
  -OEChem-09301911112D

 41 42  0     0  0  0  0  0  0999 V2000
    6.6974    2.3317    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    1.7408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4654   -2.2071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974   -3.2071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2294    0.0935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1096    3.1407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974    0.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974   -0.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3884    1.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431    1.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6974    2.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3314   -0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0064    1.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634   -0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374    1.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3314   -1.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974   -2.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634   -1.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5352    0.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4654   -3.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634   -3.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8721    2.0382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7945   -0.3971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5961    1.1891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6004   -0.3971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6004   -2.0171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149    2.5616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5392    2.5157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851    1.6401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9288    0.5825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4063   -0.1528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417    0.3247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3618    3.7071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4930    3.0759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8454   -3.2071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4654   -3.8271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0854   -3.2071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7534   -4.2441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6004   -4.0171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3734   -3.1702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2 10  1  0  0  0  0
  2 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 21  1  0  0  0  0
  4 17  1  0  0  0  0
  4 22  1  0  0  0  0
  5 15  2  0  0  0  0
  6 11  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  2  0  0  0  0
  8 12  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  2  0  0  0  0
  9 15  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 23  1  0  0  0  0
 12 16  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 18  2  0  0  0  0
 14 26  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
 19 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
M  END

$$$$
D0CV9K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.277   1.530   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.563   1.943   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.848   1.530   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.134   1.943   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.419   1.530   0.000  1.00  0.00           N  
HETATM    6  O   UNL     1      -2.134   2.768   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.848   0.705   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.705   1.943   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.705   2.768   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.009   1.530   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       0.009   0.705   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1       0.724   1.943   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.438   1.530   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.009   3.180   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.419   3.180   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.051   2.082   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.716   2.836   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.896   2.750   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.774   0.776   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.594   0.863   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.766   1.670   0.000  1.00  0.00           N  
HETATM   22  H   UNL     1       0.825   0.978   0.000  1.00  0.00           H  
HETATM   23  C   UNL     1       1.361   0.062   0.000  1.00  0.00           C  
HETATM   24  S   UNL     1       3.480   2.082   0.000  1.00  0.00           S  
HETATM   25  O   UNL     1       3.480   2.907   0.000  1.00  0.00           O  
HETATM   26  H   UNL     1       2.635   2.666   0.000  1.00  0.00           H  
HETATM   27  C   UNL     1      -0.705   3.593   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       4.277   2.296   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       4.195   1.670   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       0.565  -0.151   0.000  1.00  0.00           O  
HETATM   31  N   UNL     1       1.575  -0.735   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       1.162  -1.449   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       0.337  -1.449   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.075  -2.164   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       0.337  -2.878   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       1.162  -2.878   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       1.575  -2.164   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       1.575  -3.593   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       2.400  -3.593   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       2.812  -2.878   0.000  1.00  0.00           C  
HETATM   41  N   UNL     1       2.400  -2.164   0.000  1.00  0.00           N  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    6                                            
CONECT    5    4    8                                                 
CONECT    6    4                                                      
CONECT    7    3                                                      
CONECT    8    5    9   10                                            
CONECT    9    8   14   15   27                                       
CONECT   10    8   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   13   18                                            
CONECT   13   12   16   19   22                                       
CONECT   14    9                                                      
CONECT   15    9                                                      
CONECT   16   13   17   21   26                                       
CONECT   17   16   18                                                 
CONECT   18   17   12                                                 
CONECT   19   13   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   16   24                                            
CONECT   22   13                                                      
CONECT   23   19   30   31                                            
CONECT   24   21   25   28   29                                       
CONECT   25   24                                                      
CONECT   26   16                                                      
CONECT   27    9                                                      
CONECT   28   24                                                      
CONECT   29   24                                                      
CONECT   30   23                                                      
CONECT   31   23   32                                                 
CONECT   32   31   33   37                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37   38                                            
CONECT   37   36   32   41                                            
CONECT   38   36   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41                                                 
CONECT   41   40   37                                                 
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D0CW1J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.266   1.352   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.266   0.527   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.551   0.114   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.837   0.527   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.837   1.352   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.551   1.764   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.122   0.114   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.036  -0.706   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.771  -0.878   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.184  -0.163   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.631   0.450   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.649  -1.258   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.434  -1.004   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.047  -1.556   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.875  -2.362   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.091  -2.617   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.477  -2.065   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.488  -2.914   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.004  -0.077   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       2.489  -0.745   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1       2.340   0.676   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       3.160   0.763   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.496   1.516   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.011   2.184   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.190   2.098   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.855   1.344   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.598   2.898   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       3.011   3.613   0.000  1.00  0.00           N  
HETATM   29  O   UNL     1       1.773   2.898   0.000  1.00  0.00           O  
HETATM   30 CL   UNL     1      -0.122   1.764   0.000  1.00  0.00          Cl  
HETATM   31  C   UNL     1       1.107  -1.632   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.273  -2.660   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.856  -3.243   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.653  -3.029   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1       3.808   2.397   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1       4.522   1.985   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.522   1.160   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       3.808   0.747   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       3.808  -0.078   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       4.522  -0.490   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       5.237  -0.078   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       5.237   0.747   0.000  1.00  0.00           C  
HETATM   43  F   UNL     1       4.522  -1.315   0.000  1.00  0.00           F  
HETATM   44  O   UNL     1      -5.237  -3.613   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   30                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10   31                                            
CONECT   10    9   11   19                                            
CONECT   11   10    7                                                 
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   32                                                 
CONECT   19   10   20   21                                            
CONECT   20   19                                                      
CONECT   21   19   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27   35                                       
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   24   28   29                                            
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30    5                                                      
CONECT   31    9                                                      
CONECT   32   18   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   44                                                 
CONECT   35   24   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38   42                                            
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41   43                                            
CONECT   41   40   42                                                 
CONECT   42   41   37                                                 
CONECT   43   40                                                      
CONECT   44   34                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
M  END

$$$$
D0CW5D
  -OEChem-09301911212D

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M  END

$$$$
D0CW9H
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.786  -1.031   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.072  -0.619   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.786   0.619   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.786  -1.856   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.357   0.619   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.357   0.206   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.357  -0.619   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.072  -1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.786  -0.619   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.786   0.206   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.072   0.619   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.072   1.444   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.357  -1.031   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1       2.501  -1.031   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.501  -1.856   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.215  -2.269   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.930  -1.856   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.930  -1.031   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.215  -0.619   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.501   0.619   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.501   1.444   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.501   2.269   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.501   3.094   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       3.215  -3.094   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9    5                                                 
CONECT   11    7                                                      
CONECT   12    9   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15   20                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18   27                                            
CONECT   18   17   13   19                                            
CONECT   19   18                                                      
CONECT   20   14                                                      
CONECT   21   16   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   31                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   17   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29                                                      
CONECT   31   23                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0CW9Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.938   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.938  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.223  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.509  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.509   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.223   0.825   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.722   0.667   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -4.207   0.000   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.722  -0.667   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.794  -0.825   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.080  -0.412   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.080   0.412   0.000  1.00  0.00           O  
HETATM   13  N   UNL     1       0.635  -0.825   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.349  -0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.064  -0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.778  -0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.493  -0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       4.207  -0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.207   0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.493   0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.778   0.412   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    4   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0CX1F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215   1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.501   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.786   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.786   1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.501   1.650   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.072   1.650   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.072   2.475   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.786   2.888   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.501   2.475   0.000  1.00  0.00           C  
HETATM   11  S   UNL     1      -0.357   1.238   0.000  1.00  0.00           S  
HETATM   12  O   UNL     1       0.055   1.952   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.770   0.523   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1       0.357   0.825   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.357   0.000   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.072  -0.412   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.786   0.000   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.786   0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.072   1.238   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.501  -0.412   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       3.215   0.000   0.000  1.00  0.00           O  
HETATM   22  N   UNL     1       2.501  -1.238   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.786  -1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.786  -2.475   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.501  -2.888   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.215  -2.475   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.215  -1.650   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   10                                            
CONECT    7    5    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    6                                                 
CONECT   11    7   12   13   14                                       
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14   11   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21   22                                            
CONECT   21   20                                                      
CONECT   22   20   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0CX1Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.888  -0.357   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.475  -1.072   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.650  -1.072   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.238  -0.357   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.650   0.357   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.475   0.357   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.412  -0.357   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.000   0.357   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.000  -1.072   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.825  -1.072   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.238  -1.786   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.062  -1.786   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.475  -1.072   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.062  -0.357   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.238  -0.357   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.300  -1.072   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.712  -1.786   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       3.712  -0.357   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       3.300   0.357   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       0.825   0.357   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.238   1.072   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.825   1.786   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.000   1.786   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.412   1.072   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.238   1.072   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.821   1.655   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.712  -0.357   0.000  1.00  0.00           C  
CONECT    1    2    6   27                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   20   24                                            
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18                                                      
CONECT   20    8   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23    8   25                                            
CONECT   25   24   26                                                 
CONECT   26   25                                                      
CONECT   27    1                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0CX4C
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   1.220   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501   0.396   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -0.017   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072   0.396   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072   1.220   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   1.633   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.215  -0.017   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.930   0.396   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.930   1.220   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.644   1.633   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.359   1.220   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.359   0.396   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.644  -0.017   0.000  1.00  0.00           C  
HETATM   14 CL   UNL     1      -4.644  -0.842   0.000  1.00  0.00          Cl  
HETATM   15  C   UNL     1      -0.357  -0.017   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.357   0.396   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1      -0.357  -0.842   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.072  -0.017   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.072  -0.842   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.786  -1.254   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.501  -0.842   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.501  -0.017   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.786   0.396   0.000  1.00  0.00           C  
HETATM   24  H   UNL     1       3.215   0.396   0.000  1.00  0.00           H  
HETATM   25  O   UNL     1       3.215  -1.254   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       3.930  -0.842   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.644  -1.254   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.359  -0.842   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.644  -2.079   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.215  -0.842   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.501  -1.254   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.786  -0.842   0.000  1.00  0.00           O  
HETATM   33  O   UNL     1      -2.812   1.667   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1      -3.526   2.079   0.000  1.00  0.00           C  
CONECT    1    2    6   33                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   15                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8   30                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8   14                                            
CONECT   14   13                                                      
CONECT   15    4   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23   24                                            
CONECT   23   22   18                                                 
CONECT   24   22                                                      
CONECT   25   21   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30    7   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31                                                      
CONECT   33    1   34                                                 
CONECT   34   33                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0CY3L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.677   0.773   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.677  -0.051   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.037  -0.464   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.752  -0.051   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.752   0.773   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.037   1.186   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.462   1.028   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.947   0.361   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.462  -0.306   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.466   1.186   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.220   0.851   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.772   1.464   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1       2.359   2.178   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.552   2.006   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.391   0.043   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.939   2.558   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.037  -1.289   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.630  -1.774   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.375  -2.558   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       0.450  -2.558   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.705  -1.774   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.489  -1.519   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.415  -1.519   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.772   0.361   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   17                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9   24                                            
CONECT    9    8    2                                                 
CONECT   10    5   11   14                                            
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10   16                                            
CONECT   15   11                                                      
CONECT   16   14                                                      
CONECT   17    3   18   21                                            
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   17   22                                            
CONECT   22   21                                                      
CONECT   23   18                                                      
CONECT   24    8                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0CY3U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.243  -0.968   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.243  -1.793   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.528  -2.205   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.814  -1.793   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.814  -0.968   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.528  -0.555   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.099  -0.555   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.615  -0.968   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -0.099   0.270   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.330  -0.555   0.000  1.00  0.00           C  
HETATM   11  F   UNL     1      -0.099  -2.205   0.000  1.00  0.00           F  
HETATM   12  N   UNL     1       2.083  -0.891   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       2.635  -0.278   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.223   0.437   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.416   0.265   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.957  -0.555   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.957   0.270   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.672   0.683   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.386   0.270   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.386  -0.555   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.672  -0.968   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.559   1.190   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.255  -1.698   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.641  -2.250   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.813  -3.057   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.598  -3.312   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.211  -2.760   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.039  -1.953   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.379   1.276   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.715   2.030   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.230   2.698   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.409   2.611   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.074   1.858   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.566   3.451   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1       3.081   4.119   0.000  1.00  0.00           O  
HETATM   36  N   UNL     1       4.386   3.537   0.000  1.00  0.00           N  
HETATM   37  F   UNL     1       2.769  -4.119   0.000  1.00  0.00           F  
HETATM   38  C   UNL     1      -2.958  -2.205   0.000  1.00  0.00           C  
HETATM   39  F   UNL     1      -2.249  -3.433   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1      -4.186  -2.914   0.000  1.00  0.00           F  
HETATM   41  F   UNL     1      -3.667  -0.977   0.000  1.00  0.00           F  
CONECT    1    2    6   16                                            
CONECT    2    1    3   38                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   11                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   12   15                                            
CONECT   11    4                                                      
CONECT   12   10   13   23                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   22                                            
CONECT   15   14   10                                                 
CONECT   16    1   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   14   29   33                                            
CONECT   23   12   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   37                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   22   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   22                                                 
CONECT   34   31   35   36                                            
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   26                                                      
CONECT   38   39   40   41    2                                       
CONECT   39   38                                                      
CONECT   40   38                                                      
CONECT   41   38                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END

$$$$

$$$$

$$$$
D0CY9X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.090   0.773   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.090  -0.051   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.375  -0.464   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.339  -0.051   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.339   0.773   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.375   1.186   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.874   1.028   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.359   0.361   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.874  -0.306   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.054   1.186   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.807   0.851   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.359   1.464   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1       1.947   2.178   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.140   2.006   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.979   0.043   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.527   2.558   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.375  -1.289   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.043  -1.774   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.788  -2.558   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       0.037  -2.558   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.292  -1.774   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.077  -1.519   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.827  -1.519   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   17                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    5   11   14                                            
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10   16                                            
CONECT   15   11                                                      
CONECT   16   14                                                      
CONECT   17    3   18   21                                            
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   17   22                                            
CONECT   22   21                                                      
CONECT   23   18                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0CZ6T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.086   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.086  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.371  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.657  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.657   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.371   0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.058   0.412   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.811   0.077   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.364   0.690   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.951   1.405   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.144   1.233   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.189   0.690   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.601   1.405   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.601  -0.025   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.426  -0.025   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.839   0.690   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.426   1.405   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.839  -0.739   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.320   2.142   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.951   2.891   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       0.144   3.087   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.508   2.582   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.508   1.757   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.009   1.988   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1      -2.800  -1.238   0.000  1.00  0.00           F  
HETATM   26  O   UNL     1      -1.371  -2.062   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.086  -2.475   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.882  -2.261   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.295  -1.547   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.009  -1.960   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -3.597  -2.674   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.882  -3.087   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   25                                            
CONECT    3    2    4   26                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11   19                                            
CONECT   11   10    7   23                                            
CONECT   12    9   13   14                                            
CONECT   13   12   17                                                 
CONECT   14   12   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   13   24                                            
CONECT   18   15                                                      
CONECT   19   10   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   11                                                 
CONECT   24   17                                                      
CONECT   25    2                                                      
CONECT   26    3   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31   32                                       
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   28                                                 
CONECT   32   28                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0D0ML
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.737   3.694   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.737   2.869   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.023   2.457   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.309   2.869   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.309   3.694   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.023   4.107   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.594   2.457   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.880   2.869   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.880   3.694   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.594   4.107   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.023   1.635   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.168   2.458   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.081   1.638   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.274   1.466   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.138   2.181   0.000  1.00  0.00           C  
HETATM   16  S   UNL     1      -0.414   2.794   0.000  1.00  0.00           S  
HETATM   17  C   UNL     1       0.956   2.267   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.439   1.601   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.264   1.601   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.676   0.887   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.501   0.887   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.914   1.601   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.501   2.316   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.676   2.316   0.000  1.00  0.00           N  
HETATM   25  O   UNL     1       3.913   0.175   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       2.265   0.175   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       2.676  -0.537   0.000  1.00  0.00           N  
HETATM   28  O   UNL     1       1.443   0.175   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       4.737   0.175   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.264  -1.251   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.676  -1.966   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.264  -2.680   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.676  -3.395   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.501  -3.395   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.914  -2.680   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.501  -1.966   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1       3.913  -4.107   0.000  1.00  0.00           F  
HETATM   38  C   UNL     1       1.442  -1.251   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   11                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    3                                                      
CONECT   12    8   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   12                                                 
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21   26                                            
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   21   29                                                 
CONECT   26   20   27   28                                            
CONECT   27   26   30                                                 
CONECT   28   26                                                      
CONECT   29   25                                                      
CONECT   30   27   31   38                                            
CONECT   31   30   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   37                                            
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
CONECT   37   34                                                      
CONECT   38   30                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END

$$$$

$$$$

$$$$
D0D0PF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.385   0.416   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.171  -0.381   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.374  -0.595   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.791  -0.011   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.004   0.786   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.801   0.999   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.000  -1.330   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.185  -1.201   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.056  -0.386   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.601  -1.784   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.321  -0.011   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.629  -0.460   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.106  -0.086   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.798  -0.535   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.533  -0.161   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.755  -1.359   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       2.225  -0.610   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.960  -0.236   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.003   0.588   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.312   1.038   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.576   0.663   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       3.738   0.963   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       3.782   1.784   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       3.652  -0.685   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       4.385  -0.312   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    4   11                                            
CONECT   10    8                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   17   21                                            
CONECT   16   14                                                      
CONECT   17   15   18                                                 
CONECT   18   24   17   19                                            
CONECT   19   22   18   20                                            
CONECT   20   19   21                                                 
CONECT   21   20   15                                                 
CONECT   22   23   19                                                 
CONECT   23   22                                                      
CONECT   24   25   18                                                 
CONECT   25   24                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0D0QT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.072  -0.996   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.072  -1.821   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.357  -2.234   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.357  -1.821   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.357  -0.996   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.357  -0.584   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       1.072  -2.234   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.786  -1.821   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.786  -0.996   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.072  -0.584   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.786  -2.234   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.529   0.223   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.349   0.309   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -1.685  -0.444   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.023   0.836   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.830   0.665   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.382   1.278   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.127   2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.320   2.234   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.232   1.621   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1      -1.039   1.792   0.000  1.00  0.00          Cl  
CONECT    1    2    6   14                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   12                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    2                                                      
CONECT   12    6   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    1                                                 
CONECT   15   12   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0D0WQ
  -OEChem-09301911152D

 34 36  0     0  0  0  0  0  0999 V2000
    2.9230   -0.7078    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2956    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2956    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4131    1.9658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144    0.9477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -0.7078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9021    3.2956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7112    2.7078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6443    1.0523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    0.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4021    1.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    0.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8198    1.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0931    2.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4021    1.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9021    4.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0665    0.3813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5035    2.8994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7666    1.2552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.1056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.1056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5221    4.2956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9021    4.9156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2821    4.2956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.9156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0277    0.9875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8964    1.6187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 14  1  0  0  0  0
  2 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4 15  2  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  5 24  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  7 22  1  0  0  0  0
  8 19  2  0  0  0  0
  9 14  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 16  2  0  0  0  0
 13 19  1  0  0  0  0
 16 25  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 26  1  0  0  0  0
 20 23  2  0  0  0  0
 20 27  1  0  0  0  0
 21 23  1  0  0  0  0
 21 28  1  0  0  0  0
 22 29  1  0  0  0  0
 22 30  1  0  0  0  0
 22 31  1  0  0  0  0
 23 32  1  0  0  0  0
M  END

$$$$
D0D0WU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.357   0.412   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       1.072   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.072  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.786  -1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.501  -0.825   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       2.501   0.000   0.000  1.00  0.00           N  
HETATM    7  CA  UNL     1       1.786   0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.357  -1.238   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.357  -0.825   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1       0.357  -2.062   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.786   1.238   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       1.072   1.650   0.000  1.00  0.00           O  
HETATM   13  OXT UNL     1       2.501   1.650   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.357   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.357   1.650   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.072   2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.786   1.650   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.786   0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.072   0.412   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1      -2.501   2.062   0.000  1.00  0.00           F  
CONECT    1    2   14                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    2   11                                            
CONECT    8    3    9   10                                            
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11    7   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14    1   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0D1EI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.525   2.406   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.525   1.581   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.810   1.169   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.096   1.581   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.096   2.406   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.810   2.819   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.381   1.169   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.295   0.348   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.488   0.177   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.076   0.891   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.628   1.504   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.908  -0.204   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.693   0.051   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.306  -0.501   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.135  -1.308   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.350  -1.563   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.737  -1.011   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -5.239   2.819   0.000  1.00  0.00          Cl  
HETATM   19  C   UNL     1      -0.269   1.063   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.014   1.847   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.566   2.460   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.373   2.289   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1       0.283   0.450   0.000  1.00  0.00           N  
HETATM   24 CL   UNL     1      -1.952  -1.266   0.000  1.00  0.00          Cl  
HETATM   25  C   UNL     1       0.028  -0.335   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.580  -0.948   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.387  -0.777   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.642   0.008   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.090   0.621   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       1.939  -1.390   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       2.764  -1.390   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       3.177  -0.675   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       3.177  -2.104   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.002  -2.104   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.414  -2.819   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       5.239  -2.819   0.000  1.00  0.00           C  
CONECT    1    2    6   18                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   19                                            
CONECT   11   10    7   22                                            
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   24                                            
CONECT   18    1                                                      
CONECT   19   10   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   11                                                 
CONECT   23   19   25   29                                            
CONECT   24   17                                                      
CONECT   25   23   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   23                                                 
CONECT   30   27   31                                                 
CONECT   31   30   32   33                                            
CONECT   32   31                                                      
CONECT   33   31   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0D1JC
  -OEChem-09301911282D

 72 77  0     1  0  0  0  0  0999 V2000
    6.6227    0.0637    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836    5.8841    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4016   -4.2661    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8907    0.0637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8907    1.0637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6227   -1.9363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1586   -1.9363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1586    1.0637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8907    3.0637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8907   -2.9363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9771    2.6569    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6997   -3.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3080    3.4001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3907   -4.4752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6227    1.0637    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7567    1.5637    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7567    2.5637    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4888    1.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6227    3.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8907   -1.9363    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7567   -0.4363    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4888    2.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7567   -1.4363    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0246   -1.4363    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0246   -0.4363    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1586    0.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7861    4.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0816   -3.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8080    4.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3907   -4.4752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    5.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8029   -5.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    5.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    5.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8084   -5.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2096   -6.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    6.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    6.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2206   -5.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6218   -7.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    7.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6273   -6.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1597    0.7537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7567    0.9437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7567    3.1837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7008    0.9811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0993    1.6713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0212    3.5386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2242    3.5386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3537   -2.2463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7567    0.1837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7567   -2.0563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0993    2.4560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7008    3.1463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0246   -2.0563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0246    0.1837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5480    0.1713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9466   -0.5189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3537    1.3737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1597   -1.6263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6217   -1.6263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2469    4.4731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4920   -3.3325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6217    1.3737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    4.7826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8262   -6.2625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467    7.4038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    6.2625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6040   -5.9239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8740   -7.5731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    7.5731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2629   -7.4038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 15  1  1  1  0  0  0
 21  1  1  1  0  0  0
  2 33  1  0  0  0  0
  3 35  1  0  0  0  0
  4 21  1  0  0  0  0
  4 25  1  0  0  0  0
  5 16  1  0  0  0  0
  5 59  1  0  0  0  0
  6 23  1  0  0  0  0
  6 60  1  0  0  0  0
 24  7  1  1  0  0  0
  7 61  1  0  0  0  0
  8 26  1  0  0  0  0
  8 64  1  0  0  0  0
  9 11  1  0  0  0  0
  9 17  1  0  0  0  0
  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
 20 10  1  1  0  0  0
 10 28  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 43  1  0  0  0  0
 16 17  1  0  0  0  0
 16 44  1  0  0  0  0
 17 19  1  0  0  0  0
 17 45  1  0  0  0  0
 18 22  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 22  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 50  1  0  0  0  0
 21 23  1  0  0  0  0
 21 51  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 23 52  1  0  0  0  0
 24 25  1  0  0  0  0
 24 55  1  0  0  0  0
 25 26  1  0  0  0  0
 25 56  1  0  0  0  0
 26 57  1  0  0  0  0
 26 58  1  0  0  0  0
 27 29  2  0  0  0  0
 27 62  1  0  0  0  0
 28 30  2  0  0  0  0
 28 63  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  2  0  0  0  0
 32 35  1  0  0  0  0
 32 36  2  0  0  0  0
 33 37  2  0  0  0  0
 34 38  1  0  0  0  0
 34 65  1  0  0  0  0
 35 39  2  0  0  0  0
 36 40  1  0  0  0  0
 36 66  1  0  0  0  0
 37 41  1  0  0  0  0
 37 67  1  0  0  0  0
 38 41  2  0  0  0  0
 38 68  1  0  0  0  0
 39 42  1  0  0  0  0
 39 69  1  0  0  0  0
 40 42  2  0  0  0  0
 40 70  1  0  0  0  0
 41 71  1  0  0  0  0
 42 72  1  0  0  0  0
M  END

$$$$
D0D1LI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.427   0.300   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.715   0.712   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.000   0.299   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.714   0.712   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.426   0.300   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.175   0.634   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.728   0.024   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.317  -0.688   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.512  -0.517   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.512  -0.517   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.317  -0.688   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.728   0.024   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.177   0.635   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.000   1.124   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.000  -0.526   0.000  1.00  0.00           C  
HETATM   16 CL   UNL     1       3.545   0.110   0.000  1.00  0.00          Cl  
HETATM   17  O   UNL     1       2.348   1.439   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       0.901  -1.067   0.000  1.00  0.00           O  
HETATM   19 CL   UNL     1       2.651  -1.439   0.000  1.00  0.00          Cl  
HETATM   20  O   UNL     1      -2.345   1.438   0.000  1.00  0.00           O  
HETATM   21 CL   UNL     1      -3.545   0.111   0.000  1.00  0.00          Cl  
HETATM   22 CL   UNL     1      -2.651  -1.439   0.000  1.00  0.00          Cl  
HETATM   23  O   UNL     1      -0.901  -1.067   0.000  1.00  0.00           O  
CONECT    1    2    6    9                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   14   15                                       
CONECT    4    3    5                                                 
CONECT    5    4   10   13                                            
CONECT    6    1    7   20                                            
CONECT    7    6    8   21                                            
CONECT    8    7    9   22                                            
CONECT    9    8    1   23                                            
CONECT   10    5   11   18                                            
CONECT   11   10   12   19                                            
CONECT   12   11   13   16                                            
CONECT   13   12    5   17                                            
CONECT   14    3                                                      
CONECT   15    3                                                      
CONECT   16   12                                                      
CONECT   17   13                                                      
CONECT   18   10                                                      
CONECT   19   11                                                      
CONECT   20    6                                                      
CONECT   21    7                                                      
CONECT   22    8                                                      
CONECT   23    9                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0D1QH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.713  -2.157   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.130  -2.740   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.333  -2.527   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.120  -1.730   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.703  -1.147   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.500  -1.360   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -3.510  -2.371   0.000  1.00  0.00           F  
HETATM    8  C   UNL     1      -3.083  -0.777   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.870   0.020   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.100   0.316   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.143   1.140   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.940   1.353   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.389   0.661   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.365  -0.059   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.673   0.390   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.716   1.214   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.451   1.589   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.062   0.016   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       0.754   0.465   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.508   0.130   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.175   0.615   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.089   1.435   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.336   1.771   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.668   1.286   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.757   1.920   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       3.510   1.584   0.000  1.00  0.00           N  
HETATM   27  O   UNL     1       2.670   2.740   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    1                                                      
CONECT    8    6    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11   14                                            
CONECT   11   10   12   17                                            
CONECT   12   11   13                                                 
CONECT   13   12    9                                                 
CONECT   14   10   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   11                                                 
CONECT   18   15   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22   26   27                                            
CONECT   26   25                                                      
CONECT   27   25                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0D1TS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.357  -0.825   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.357  -0.412   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.357   0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.357   0.825   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.786   1.650   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.357  -1.650   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.357  -2.062   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.357   1.650   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.357   2.062   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1      -1.072   2.062   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.072   1.650   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.786   2.062   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.786   2.888   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       1.072   3.300   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.357   2.888   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.357  -2.888   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.072  -3.300   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.786  -2.888   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.786  -2.062   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.072  -1.650   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       2.501  -1.650   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   14                                            
CONECT   11    6                                                      
CONECT   12    7   13                                                 
CONECT   13   12   22   26                                            
CONECT   14   10   15   16                                            
CONECT   15   14   17   21                                            
CONECT   16   14                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   15                                                 
CONECT   22   13   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   13                                                 
CONECT   27   25                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0D2BV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.536  -0.263   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.536  -1.088   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.821  -1.501   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.107  -1.088   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.107  -0.263   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.821   0.149   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.462  -1.603   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.658  -1.419   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.300  -0.676   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.658   0.068   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.462   0.251   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.096   0.672   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.340   1.461   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.144   1.644   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.705   1.040   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.475  -0.676   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1      -1.245  -2.133   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       0.109  -0.092   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.934  -0.092   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.304   0.622   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       1.346  -0.807   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.759  -0.092   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.346   0.622   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.171   0.622   0.000  1.00  0.00           N  
HETATM   25  O   UNL     1       0.934   1.337   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       2.584   1.337   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.409   1.337   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.821   0.622   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1       3.195   2.133   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1       3.992   1.920   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1       3.409  -0.092   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       4.536   1.035   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       4.405   0.039   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   17                                            
CONECT    9    8   10   16                                            
CONECT   10    9   11   12                                            
CONECT   11   10    5   15                                            
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16    9   18                                                 
CONECT   17    8                                                      
CONECT   18   16   19   20                                            
CONECT   19   18   21   22   23                                       
CONECT   20   18                                                      
CONECT   21   19                                                      
CONECT   22   19                                                      
CONECT   23   19   24   25                                            
CONECT   24   23   26                                                 
CONECT   25   23                                                      
CONECT   26   24   27                                                 
CONECT   27   26   28   29   30                                       
CONECT   28   27   31   32   33                                       
CONECT   29   27                                                      
CONECT   30   27                                                      
CONECT   31   28                                                      
CONECT   32   28                                                      
CONECT   33   28                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0D2CF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.630   0.556   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.908   0.157   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.201   0.583   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.479   0.183   0.000  1.00  0.00           N  
HETATM    5  O   UNL     1      -1.217   1.407   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1      -0.464  -0.641   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.259  -1.040   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.965  -0.615   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.950   0.210   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.228   0.609   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.687  -1.014   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.703  -1.838   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.425  -2.237   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.131  -1.812   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.116  -0.987   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.394  -0.588   0.000  1.00  0.00           C  
HETATM   17 CL   UNL     1       2.378   0.237   0.000  1.00  0.00          Cl  
HETATM   18  C   UNL     1       3.846  -2.224   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.560  -1.812   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       5.275  -2.224   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       5.989  -1.812   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       4.560  -0.987   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1      -2.731   1.374   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.542   1.531   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.941   0.809   0.000  1.00  0.00           C  
HETATM   26  S   UNL     1      -3.377   0.206   0.000  1.00  0.00           S  
HETATM   27  C   UNL     1      -3.941   2.237   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.765   2.237   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.164   1.531   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.765   0.809   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -5.989   1.535   0.000  1.00  0.00           F  
HETATM   32  H   UNL     1       0.212   1.434   0.000  1.00  0.00           H  
HETATM   33  C   UNL     1      -1.170  -1.067   0.000  1.00  0.00           C  
HETATM   34  H   UNL     1      -0.464  -1.528   0.000  1.00  0.00           H  
CONECT    1    2   23   26                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    5                                            
CONECT    4    3    6   10                                            
CONECT    5    3                                                      
CONECT    6    4    7   33   34                                       
CONECT    7    6    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    4   32                                            
CONECT   11    8   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   11   17                                            
CONECT   17   16                                                      
CONECT   18   14   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20                                                      
CONECT   22   19                                                      
CONECT   23    1   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26   30                                            
CONECT   26   25    1                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29   25                                                 
CONECT   31   29                                                      
CONECT   32   10                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0D2CR
  -OEChem-09301911282D

 54 59  0     0  0  0  0  0  0999 V2000
    6.3301    0.5613    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4387    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.2671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.4387    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.0613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.5613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8744    0.7566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.0613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4957    4.2671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8910   -1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3052   -1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3052   -2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8910   -2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4282   -1.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282   -0.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.5613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8744    2.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4580    1.5613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1851    3.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4526   -0.7074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4526   -1.5842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7436   -1.5842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7436   -0.7074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7436   -2.9984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7436   -2.1216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4526   -2.1216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4526   -2.9984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781   -4.2671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.8871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181   -4.2671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0887   -0.3398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.7513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9533   -2.2032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9032   -2.2032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5108   -1.1507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0359   -0.3281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -0.7487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.1813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.1813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0780    1.5613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 17  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 18  1  0  0  0  0
  4 21  1  0  0  0  0
  4 27  1  0  0  0  0
  4 51  1  0  0  0  0
  5 24  1  0  0  0  0
  5 28  1  0  0  0  0
  5 53  1  0  0  0  0
  6 27  2  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  7 31  1  0  0  0  0
  8 28  2  0  0  0  0
  9 29  2  0  0  0  0
  9 32  1  0  0  0  0
 10 30  3  0  0  0  0
 11 33  3  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 24  2  0  0  0  0
 20 25  1  0  0  0  0
 20 46  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
 25 30  1  0  0  0  0
 26 52  1  0  0  0  0
 27 29  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 32 54  1  0  0  0  0
M  END

$$$$
D0D2JW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   1.230   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501   0.405   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -0.007   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072   0.405   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072   1.230   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   1.643   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.357   1.643   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.357   2.468   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1      -1.786   2.468   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1      -3.215  -0.007   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1       0.357   1.230   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.072   1.643   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.786   1.230   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.786   0.405   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.501  -0.007   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.215   0.405   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.215   1.230   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.501   1.643   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       2.501   2.468   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1       3.930  -0.007   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.786  -0.832   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.501  -1.245   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.501  -2.070   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.786  -2.482   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.072  -2.070   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.072  -1.245   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.067  -3.051   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.235  -2.828   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.613  -3.007   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.235  -1.717   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.930   0.405   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.369   3.051   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4   21                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1    9                                            
CONECT    7    5    8   11                                            
CONECT    8    7                                                      
CONECT    9    6   32                                                 
CONECT   10    2   31                                                 
CONECT   11    7   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   13   19                                            
CONECT   19   18                                                      
CONECT   20   16                                                      
CONECT   21    3   22   26   30                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   21                                                 
CONECT   27   23   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   25   28                                                 
CONECT   30   28   21                                                 
CONECT   31   10                                                      
CONECT   32    9                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0D2LC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858  -1.460   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858  -2.285   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.143  -2.697   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.429  -2.285   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.429  -1.460   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.143  -1.047   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.715  -2.697   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.000  -2.285   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.715  -2.697   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.429  -2.285   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.429  -1.460   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.715  -1.047   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.000  -1.460   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.143  -0.222   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.429   0.190   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.429   1.015   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.143   1.428   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.858   1.015   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.858   0.190   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.143   2.253   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.476   2.738   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.731   3.522   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.556   3.522   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.811   2.738   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.143  -2.697   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.143  -3.522   0.000  1.00  0.00           O  
HETATM   27  N   UNL     1       2.858  -2.285   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -0.715   1.429   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       0.110   1.429   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   14                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   25                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    6   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   28                                            
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   20                                                 
CONECT   25   10   26   27                                            
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   16   29                                                 
CONECT   29   28                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0D2PU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.735   0.114   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.317  -0.597   0.000  1.00  0.00           C  
HETATM    3  O   UNL     1      -5.511  -0.420   0.000  1.00  0.00           O  
HETATM    4  C   UNL     1      -5.431   0.402   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.188   0.731   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.720   0.820   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.727   1.645   0.000  1.00  0.00           O  
HETATM    8  N   UNL     1      -4.003   0.412   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.288   0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.288   1.650   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.574   2.062   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.574   2.888   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.859   1.650   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.574   0.412   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.859   0.825   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1      -2.574  -0.412   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.124   0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.410   0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.124  -0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.839  -0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.410  -0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.839  -1.650   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.410   1.650   0.000  1.00  0.00           O  
HETATM   24  N   UNL     1       0.305   0.412   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       1.019   0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.734   0.412   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       1.734  -0.412   0.000  1.00  0.00           O  
HETATM   28  N   UNL     1       2.448   0.825   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       3.163   0.412   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.163  -0.412   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.448  -0.825   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.448  -1.650   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.734  -2.062   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       1.734  -2.888   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       3.877   0.825   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1       4.592   0.412   0.000  1.00  0.00           N  
HETATM   37  O   UNL     1       3.877   1.650   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1       5.306   0.825   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       6.021   0.412   0.000  1.00  0.00           C  
HETATM   40  N   UNL     1       6.735   0.825   0.000  1.00  0.00           N  
HETATM   41  O   UNL     1       6.021  -0.412   0.000  1.00  0.00           O  
HETATM   42  C   UNL     1       4.592  -0.412   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       5.306  -0.825   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       3.877  -0.825   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    1                                                 
CONECT    6    4    7    8                                            
CONECT    7    6                                                      
CONECT    8    6    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14    9   15   16                                            
CONECT   15   14   17                                                 
CONECT   16   14                                                      
CONECT   17   15   18   19                                            
CONECT   18   17   23   24                                            
CONECT   19   17   20   21                                            
CONECT   20   19   22                                                 
CONECT   21   19                                                      
CONECT   22   20                                                      
CONECT   23   18                                                      
CONECT   24   18   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26                                                      
CONECT   28   26   29                                                 
CONECT   29   28   30   35                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33                                                      
CONECT   35   29   36   37                                            
CONECT   36   35   38   42                                            
CONECT   37   35                                                      
CONECT   38   36   39                                                 
CONECT   39   38   40   41                                            
CONECT   40   39                                                      
CONECT   41   39                                                      
CONECT   42   36   43   44                                            
CONECT   43   42                                                      
CONECT   44   42                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
M  END

$$$$
D0D2YG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.025   1.364   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.822   1.151   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.035   0.354   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.452  -0.229   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.655  -0.016   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.442   0.781   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.645   0.995   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.004   0.475   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.688   0.925   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.475   1.722   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.349   1.765   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.798   2.457   0.000  1.00  0.00           O  
HETATM   13  N   UNL     1       1.459   0.629   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.588  -0.186   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.358  -0.481   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.999   0.038   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       2.870   0.853   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.100   1.148   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.769  -0.258   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.410   0.261   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       3.898  -1.073   0.000  1.00  0.00           O  
HETATM   22  N   UNL     1       5.207   0.048   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       5.657   0.740   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       5.137   1.381   0.000  1.00  0.00           C  
HETATM   25  S   UNL     1       4.367   1.085   0.000  1.00  0.00           S  
HETATM   26  C   UNL     1      -3.514   1.600   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.155   1.081   0.000  1.00  0.00           N  
HETATM   28  N   UNL     1      -3.859   0.311   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.309  -0.381   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.132  -0.338   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.582  -1.030   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.207  -1.765   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.383  -1.808   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.934  -1.116   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1      -5.657  -2.457   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   26                                            
CONECT    3    2    4   28                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10    7   12                                            
CONECT   12   11                                                      
CONECT   13    9   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16   20   21                                            
CONECT   20   19   22   25                                            
CONECT   21   19                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26    2   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27    3   29                                            
CONECT   29   28   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   35                                            
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0D3BL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.942   3.078   0.000  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.114   2.271   0.000  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.501   1.719   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.716   1.974   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.545   2.781   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.158   3.333   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.760   3.036   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.147   2.484   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.637   2.739   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.250   2.187   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.034   2.442   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       1.079   1.380   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.325   1.045   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1       0.411   0.224   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.218   0.053   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.630   0.767   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.202  -0.328   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.553  -0.701   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.141  -1.415   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.693  -2.028   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.446  -1.692   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.360  -0.872   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       1.607  -2.848   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       2.274  -3.333   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.027  -2.997   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.114  -2.177   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16   18                                            
CONECT   16   15   12                                                 
CONECT   17   14                                                      
CONECT   18   15   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22   26                                            
CONECT   22   21   18                                                 
CONECT   23   20   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0D3FB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.644   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.644   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.930  -0.206   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.215   0.206   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.215   1.031   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.930   1.444   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.930  -1.031   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.644  -1.444   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.644  -2.269   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.930  -2.681   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.215  -2.269   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.215  -1.444   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.501   1.444   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.786   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.072  -0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.357   0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.357   1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.072   1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.357   1.444   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       0.357   2.269   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1       1.072   1.031   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1       1.786   1.444   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       2.501   1.031   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.501   0.206   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       3.215   1.444   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.930   1.031   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.644   1.444   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.644   2.269   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.930   2.681   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.215   2.269   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.501   2.681   0.000  1.00  0.00           C  
HETATM   34 CL   UNL     1       3.930   0.206   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   13                                            
CONECT    6    5    1                                                 
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    5   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   14                                                 
CONECT   20   15                                                      
CONECT   21   18   22   23                                            
CONECT   22   21                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25                                                      
CONECT   27   25   28   32                                            
CONECT   28   27   29   34                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27   33                                            
CONECT   33   32                                                      
CONECT   34   28                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0D3GL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.548  -0.716   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.723  -0.716   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.311  -0.001   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.723   0.713   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.548   0.713   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.961  -0.001   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.486  -0.001   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.000  -0.668   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.216  -0.412   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.216   0.412   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1      -1.001   0.667   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.499  -0.825   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.213  -0.412   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.213   0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.499   0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.928  -0.825   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.928  -1.650   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.642  -0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.357  -0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.071  -0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.071   0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.357   0.825   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.642   0.412   0.000  1.00  0.00           C  
HETATM   24  F   UNL     1       3.357   1.650   0.000  1.00  0.00           F  
HETATM   25 CL   UNL     1       4.786  -0.825   0.000  1.00  0.00          Cl  
HETATM   26  F   UNL     1      -4.786  -0.001   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   26                                            
CONECT    7    3    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11   15                                            
CONECT   11   10    7                                                 
CONECT   12    9   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   18                                                 
CONECT   24   22                                                      
CONECT   25   20                                                      
CONECT   26    6                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0D3RS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.644  -1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.644  -2.475   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.930  -2.888   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.215  -2.475   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.215  -1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.930  -1.238   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.359  -1.238   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -5.359  -2.888   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -6.073  -2.475   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -6.787  -2.888   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.502  -2.475   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.787  -3.712   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.787  -2.062   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -7.502  -1.650   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1      -6.073  -4.125   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1      -7.502  -4.125   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -5.359  -0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.644   0.000   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.930  -0.412   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.215   0.000   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.215   0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.930   1.238   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.644   0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.930   2.062   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.930   2.888   0.000  1.00  0.00           N  
HETATM   26  O   UNL     1      -2.501  -1.238   0.000  1.00  0.00           O  
HETATM   27 CL   UNL     1      -2.501  -2.888   0.000  1.00  0.00          Cl  
HETATM   28  C   UNL     1      -1.786  -1.650   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.072  -1.238   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.357  -1.650   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.357  -1.238   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.357  -0.412   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.357   0.000   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.072  -0.412   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.357  -2.475   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       1.072  -1.650   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       1.072  -2.475   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       1.786  -2.888   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       2.501  -2.475   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       2.501  -1.650   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       1.786  -1.238   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       1.786  -0.412   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       3.215  -1.238   0.000  1.00  0.00           C  
HETATM   44  O   UNL     1       3.930  -1.650   0.000  1.00  0.00           O  
HETATM   45  C   UNL     1       4.644  -1.238   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1       5.359  -1.650   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1       6.073  -1.238   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1       6.073  -0.412   0.000  1.00  0.00           C  
HETATM   49  C   UNL     1       5.359   0.000   0.000  1.00  0.00           C  
HETATM   50  C   UNL     1       4.644  -0.412   0.000  1.00  0.00           C  
HETATM   51 CL   UNL     1       5.359  -2.475   0.000  1.00  0.00          Cl  
HETATM   52  C   UNL     1       6.787   0.000   0.000  1.00  0.00           C  
HETATM   53  C   UNL     1       7.502  -0.412   0.000  1.00  0.00           C  
HETATM   54  O   UNL     1       5.359   0.825   0.000  1.00  0.00           O  
HETATM   55  C   UNL     1       4.644   1.238   0.000  1.00  0.00           C  
HETATM   56  C   UNL     1       4.644   2.062   0.000  1.00  0.00           C  
HETATM   57  C   UNL     1       5.359   2.475   0.000  1.00  0.00           C  
HETATM   58  C   UNL     1       5.359   3.300   0.000  1.00  0.00           C  
HETATM   59  C   UNL     1       4.644   3.712   0.000  1.00  0.00           C  
HETATM   60  N   UNL     1       3.930   3.300   0.000  1.00  0.00           N  
HETATM   61  C   UNL     1       3.930   2.475   0.000  1.00  0.00           C  
HETATM   62  C   UNL     1       6.073   3.712   0.000  1.00  0.00           C  
HETATM   63  N   UNL     1       6.787   4.125   0.000  1.00  0.00           N  
HETATM   64  O   UNL     1       6.787   0.825   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   27                                            
CONECT    5    4    6   26                                            
CONECT    6    5    1                                                 
CONECT    7    1   17                                                 
CONECT    8    2    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   12   13                                       
CONECT   11   10                                                      
CONECT   12   10   15   16                                            
CONECT   13   10   14                                                 
CONECT   14   13                                                      
CONECT   15   12                                                      
CONECT   16   12                                                      
CONECT   17    7   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   18                                                 
CONECT   24   22   25                                                 
CONECT   25   24                                                      
CONECT   26    5   28                                                 
CONECT   27    4                                                      
CONECT   28   26   29                                                 
CONECT   29   28   30   34                                            
CONECT   30   29   31   35                                            
CONECT   31   30   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   30                                                      
CONECT   36   31   37   41                                            
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41   43                                            
CONECT   41   40   36   42                                            
CONECT   42   41                                                      
CONECT   43   40   44                                                 
CONECT   44   43   45                                                 
CONECT   45   44   46   50                                            
CONECT   46   45   47   51                                            
CONECT   47   46   48                                                 
CONECT   48   47   49   52                                            
CONECT   49   48   50   54                                            
CONECT   50   49   45                                                 
CONECT   51   46                                                      
CONECT   52   48   53   64                                            
CONECT   53   52                                                      
CONECT   54   49   55                                                 
CONECT   55   54   56                                                 
CONECT   56   55   57   61                                            
CONECT   57   56   58                                                 
CONECT   58   57   59   62                                            
CONECT   59   58   60                                                 
CONECT   60   59   61                                                 
CONECT   61   60   56                                                 
CONECT   62   58   63                                                 
CONECT   63   62                                                      
CONECT   64   52                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
M  END

$$$$
D0D4BP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.952  -0.416   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.952  -1.241   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.238  -1.654   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.523  -1.241   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.523  -0.416   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.238  -0.004   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.809  -1.654   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.094  -1.241   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.094  -0.416   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.809  -0.004   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1      -0.380  -0.004   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.335  -0.416   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.421  -1.237   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.228  -1.408   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.640  -0.694   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.088  -0.081   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.461  -0.607   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       2.946  -1.275   0.000  1.00  0.00           O  
HETATM   19  N   UNL     1       2.796   0.146   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       3.617   0.233   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.952   0.986   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1       3.467   1.654   0.000  1.00  0.00           S  
HETATM   23  C   UNL     1       2.647   1.567   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.311   0.814   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   12                                                 
CONECT   17   15   18   19                                            
CONECT   18   17                                                      
CONECT   19   17   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0D4FR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.855  -0.655   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.855  -1.480   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.141  -1.892   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.574  -1.480   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.574  -0.655   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.141  -0.242   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.288  -0.242   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.042  -0.578   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.594   0.035   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.182   0.750   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.375   0.578   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       0.761   1.130   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.569  -1.892   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.323  -1.557   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.875  -2.170   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.463  -2.884   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.656  -2.713   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.578  -0.772   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.385  -0.601   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.937  -1.214   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.682  -1.998   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1      -2.026  -0.159   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.798  -3.638   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.517   1.503   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       3.324   1.675   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.410   2.495   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.657   2.831   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       2.105   2.218   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       2.485   3.638   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.937   1.123   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   24                                            
CONECT   11   10    7   12                                            
CONECT   12   11                                                      
CONECT   13    2   14   17                                            
CONECT   14   13   15   18                                            
CONECT   15   14   16   21                                            
CONECT   16   15   17   23                                            
CONECT   17   16   13                                                 
CONECT   18   14   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   15                                                 
CONECT   22   18                                                      
CONECT   23   16                                                      
CONECT   24   10   25   28                                            
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   24                                                 
CONECT   29   27                                                      
CONECT   30   25                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0D4NX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.856   0.055   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.681   0.055   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.094  -0.659   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.681  -1.374   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.856  -1.374   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.444  -0.659   0.000  1.00  0.00           C  
HETATM    7 SI   UNL     1      -3.919  -0.659   0.000  1.00  0.00          Si  
HETATM    8  C   UNL     1      -3.919   0.166   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.919  -1.484   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.744  -0.659   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.619  -0.659   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.206   0.055   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.619   0.055   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.619   0.770   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.031  -0.659   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.856  -0.659   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.269   0.055   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.856   0.770   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.031   0.770   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.094   0.055   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.506  -0.659   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       4.331  -0.659   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.744   0.055   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.331   0.770   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.506   0.770   0.000  1.00  0.00           C  
HETATM   26 CL   UNL     1       3.094   1.484   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   11                                            
CONECT    7    3    8    9   10                                       
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    7                                                      
CONECT   11    6   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   15   19                                            
CONECT   14   12                                                      
CONECT   15   13   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   13                                                 
CONECT   20   17   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20   26                                            
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0D4OW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.842  -0.532   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.842   0.293   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.058   0.548   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.573  -0.119   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.058  -0.787   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.557  -0.119   0.000  1.00  0.00           C  
HETATM    7  H   UNL     1      -2.255  -1.246   0.000  1.00  0.00           H  
HETATM    8  H   UNL     1      -2.425   0.877   0.000  1.00  0.00           H  
HETATM    9  O   UNL     1       0.252  -0.119   0.000  1.00  0.00           O  
HETATM   10  H   UNL     1      -3.140   0.464   0.000  1.00  0.00           H  
HETATM   11  C   UNL     1      -3.382  -0.119   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.965   0.464   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -3.965  -0.703   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1      -0.844   1.345   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1      -1.271  -1.584   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.343  -1.199   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.343  -2.024   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       0.665   0.595   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.490   0.595   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.902  -0.119   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.727  -0.119   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.140   0.595   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.727   1.310   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.902   1.310   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       0.454  -0.986   0.000  1.00  0.00           O  
HETATM   26 CL   UNL     1       3.140   2.024   0.000  1.00  0.00          Cl  
HETATM   27 CL   UNL     1       3.965   0.595   0.000  1.00  0.00          Cl  
CONECT    1    2    5    6    7                                       
CONECT    2    1    3    6    8                                       
CONECT    3    2    4   14                                            
CONECT    4    3    5    9                                            
CONECT    5    4    1   15   16                                       
CONECT    6    1    2   10   11                                       
CONECT    7    1                                                      
CONECT    8    2                                                      
CONECT    9    4   18                                                 
CONECT   10    6                                                      
CONECT   11    6   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14    3                                                      
CONECT   15    5                                                      
CONECT   16    5   17   25                                            
CONECT   17   16                                                      
CONECT   18    9   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24   26                                            
CONECT   24   23   19                                                 
CONECT   25   16                                                      
CONECT   26   23                                                      
CONECT   27   22                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0D4UH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.900   0.139   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.900  -0.686   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.185  -1.099   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.471  -0.686   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.471   0.139   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.185   0.551   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.243  -1.099   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.958  -0.686   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.958   0.139   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.243   0.551   0.000  1.00  0.00           C  
HETATM   11 CL   UNL     1      -1.185   1.376   0.000  1.00  0.00          Cl  
HETATM   12  C   UNL     1      -2.615   0.551   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       0.243   1.376   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.672   0.551   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.387   0.139   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.387  -0.686   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.101  -1.099   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.816  -0.686   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       3.816   0.139   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       3.101   0.551   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       3.101   1.376   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       4.530  -1.099   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.672  -1.099   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.701   1.372   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.508   1.543   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1      -3.920   0.829   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.368   0.216   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.088   1.924   0.000  1.00  0.00           C  
HETATM   29 CL   UNL     1      -1.185  -1.924   0.000  1.00  0.00          Cl  
HETATM   30  C   UNL     1      -3.947  -0.457   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.530   0.127   0.000  1.00  0.00           O  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   29                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9    5   13                                            
CONECT   11    6                                                      
CONECT   12    1   24   27                                            
CONECT   13   10                                                      
CONECT   14    9   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17   23                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
CONECT   22   18                                                      
CONECT   23   16                                                      
CONECT   24   12   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   12   30                                            
CONECT   28   24                                                      
CONECT   29    3                                                      
CONECT   30   27   31                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0D5AH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930   2.269   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930   1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215   1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501   1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501   2.269   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215   2.681   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.716   1.189   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.231   1.856   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.716   2.524   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -3.215   0.206   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.930  -0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.930  -1.031   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.215  -1.444   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.215  -2.269   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.501  -2.681   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.786  -2.269   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.072  -2.681   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.357  -2.269   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.357  -2.681   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.072  -2.269   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.072  -1.444   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.357  -1.031   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.357  -1.444   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.786  -1.031   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       2.501  -1.444   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       2.501  -2.269   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.215  -2.681   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       3.930  -2.269   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       3.930  -1.444   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.215  -1.031   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1      -0.406   1.856   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   10                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   33                                            
CONECT    9    8    5                                                 
CONECT   10    3   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33    8                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0D5AI
  -OEChem-09301911282D

 46 47  0     0  0  0  0  0  0999 V2000
    3.7320    2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -3.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.4440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -1.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -0.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    0.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291   -2.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0560   -3.7130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -3.4860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -1.7540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6760   -0.9070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8291   -1.1340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    1.6074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    2.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2 22  1  0  0  0  0
  2 46  1  0  0  0  0
  3 22  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 18  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 19  1  0  0  0  0
 16 40  1  0  0  0  0
 17 20  1  0  0  0  0
 17 41  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
M  END

$$$$
D0D5MQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.716  -0.067   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.630  -0.887   0.000  1.00  0.00           N  
HETATM    3  N   UNL     1      -0.823  -1.059   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.410  -0.345   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.962   0.269   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.243  -1.440   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.027  -1.185   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.640  -1.737   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.469  -2.544   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.684  -2.799   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.071  -2.247   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -1.287  -2.502   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1      -0.676   1.075   0.000  1.00  0.00           C  
HETATM   14 CL   UNL     1      -4.082  -3.096   0.000  1.00  0.00          Cl  
HETATM   15  C   UNL     1       0.410  -0.258   0.000  1.00  0.00           C  
HETATM   16  S   UNL     1       0.962  -0.871   0.000  1.00  0.00           S  
HETATM   17  C   UNL     1       1.716  -0.536   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.630   0.285   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1       0.823   0.456   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.430   0.345   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.430   1.171   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.145   1.583   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.859   1.171   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.859   0.345   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.145  -0.067   0.000  1.00  0.00           C  
HETATM   26 CL   UNL     1      -4.574   1.583   0.000  1.00  0.00          Cl  
HETATM   27  N   UNL     1      -1.089   1.790   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -0.753   2.544   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -1.366   3.096   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -2.081   2.683   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -1.909   1.876   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       2.430  -0.948   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.145  -0.536   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.018  -1.663   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.843  -1.663   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.859  -0.948   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.574  -0.536   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       4.574   0.289   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       3.859   0.702   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       3.145   0.289   0.000  1.00  0.00           C  
CONECT    1    2    5   20                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   15                                            
CONECT    5    4    1   13                                            
CONECT    6    2    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10    6   12                                            
CONECT   12   11                                                      
CONECT   13    5   27                                                 
CONECT   14    9                                                      
CONECT   15    4   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   32                                            
CONECT   18   17   19                                                 
CONECT   19   18   15                                                 
CONECT   20    1   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23                                                      
CONECT   27   13   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   27                                                 
CONECT   32   17   33   34   35                                       
CONECT   33   32   36   40                                            
CONECT   34   32   35                                                 
CONECT   35   34   32                                                 
CONECT   36   33   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   33                                                 
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0D5PL
  -OEChem-09301911172D

 53 57  0     0  0  0  0  0  0999 V2000
    6.4103   -0.5512    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.9939   -3.0880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.6440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9939   -3.0880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4939   -2.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4939   -3.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9939   -3.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4939   -2.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4939   -3.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4939   -2.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939   -2.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939   -1.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9939   -1.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -1.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939   -0.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4939   -0.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -2.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6016   -1.6114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9113   -2.0099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9113   -4.1661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6016   -4.5646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4113   -3.3001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1016   -3.6986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0765   -2.0099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3863   -1.6114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3863   -4.5646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0765   -4.1661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1839   -2.7589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6139   -1.3560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1839    0.0470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8039    0.0470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6029   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.5460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.9540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.1660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.4540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.8340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.4540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    3.9540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 19  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 28  1  0  0  0  0
  3 53  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 22  1  0  0  0  0
  5 25  1  0  0  0  0
  5 47  1  0  0  0  0
  6 21  2  0  0  0  0
  6 24  1  0  0  0  0
  7 10  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 11  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 12  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 13 41  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 42  1  0  0  0  0
 16 20  2  0  0  0  0
 17 18  1  0  0  0  0
 17 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 21  1  0  0  0  0
 20 45  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 46  1  0  0  0  0
 24 48  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 49  1  0  0  0  0
 27 29  2  0  0  0  0
 27 50  1  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
 29 51  1  0  0  0  0
 30 52  1  0  0  0  0
M  END

$$$$
D0D5YG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.364   1.752   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.364   0.927   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.421   0.672   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.906   1.339   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.421   2.007   0.000  1.00  0.00           C  
HETATM    6  S   UNL     1      -1.148   2.007   0.000  1.00  0.00           S  
HETATM    7  C   UNL     1      -1.633   1.339   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.148   0.672   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.653  -0.193   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.069  -0.776   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.283  -1.573   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.080  -1.787   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.663  -1.204   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.450  -0.407   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       2.460  -1.417   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.269  -2.551   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.983  -2.963   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       0.554  -2.963   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       0.674   2.792   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.481   2.963   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.460   1.339   0.000  1.00  0.00           C  
CONECT    1    2    5    6                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    1   19                                            
CONECT    6    1    7                                                 
CONECT    7    6    8   21                                            
CONECT    8    7    2                                                 
CONECT    9    3   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14   15                                            
CONECT   14   13    9                                                 
CONECT   15   13                                                      
CONECT   16   12   17   18                                            
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19    5   20                                                 
CONECT   20   19                                                      
CONECT   21    7                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0D6DE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.047   1.990   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.844   1.777   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.057   0.980   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.474   0.397   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.677   0.610   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.463   1.407   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -2.427   2.360   0.000  1.00  0.00           F  
HETATM    8  N   UNL     1      -0.094   0.027   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.223  -0.788   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.512  -1.163   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.096  -0.579   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.721   0.156   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.958  -1.163   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.650  -0.713   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.385  -1.088   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.428  -1.912   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.736  -2.361   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.001  -1.987   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.096   0.891   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.508   0.135   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.920   0.934   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.294   1.669   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.845   2.361   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.021   2.318   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.646   1.583   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.911  -0.708   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       2.428  -0.069   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1       2.205  -1.476   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9   12                                            
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   26   10   12   20                                       
CONECT   12   11    8   19                                            
CONECT   13    9   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   12   21   25                                            
CONECT   20   11                                                      
CONECT   21   19   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   19                                                 
CONECT   26   27   28   11                                            
CONECT   27   26                                                      
CONECT   28   26                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END

$$$$

$$$$

$$$$
D0D6DN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.115  -1.439   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.115  -2.261   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.403  -2.672   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.309  -2.261   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.309  -1.439   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.403  -1.028   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.827  -1.028   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.827  -2.672   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.021  -1.028   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.733  -1.439   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.445  -1.028   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.445  -0.205   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.733   0.205   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.021  -0.205   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.157   0.205   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.157   1.028   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       3.869  -0.205   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       3.869   1.439   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.869   2.261   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       3.157   2.672   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.445   2.261   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.445   1.439   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.913  -0.210   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.717  -0.039   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1      -3.128  -0.751   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1      -2.578  -1.362   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.051   0.712   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.869   0.798   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.568   1.377   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       3.157  -1.439   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       3.869  -1.028   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    1   23   26                                            
CONECT    8    2                                                      
CONECT    9    5   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   30   10   12                                            
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16   17                                            
CONECT   16   15   18   22                                            
CONECT   17   15                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   16                                                 
CONECT   23    7   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25    7                                                 
CONECT   27   24   28   29                                            
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   31   11                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0D6UF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.812   2.219   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.812   1.393   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.597   1.139   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.082   1.806   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.597   2.473   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.098   2.631   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.617   2.219   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.617   1.393   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.098   0.981   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -1.331   0.981   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.085   1.317   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.637   0.703   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.224  -0.011   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.417   0.161   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.804  -0.392   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.219  -1.105   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.809  -1.821   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.016  -1.823   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.431  -1.110   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.021  -0.394   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1      -2.044  -1.102   0.000  1.00  0.00           F  
HETATM   22  S   UNL     1       1.378  -0.434   0.000  1.00  0.00           S  
HETATM   23  C   UNL     1       1.852   0.354   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.852  -0.981   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.637  -0.726   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1       2.637   0.099   0.000  1.00  0.00           N  
HETATM   27  F   UNL     1       1.256  -1.110   0.000  1.00  0.00           F  
HETATM   28  C   UNL     1       1.852  -1.806   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.567  -2.219   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.138  -2.219   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.852  -2.631   0.000  1.00  0.00           C  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   23                                            
CONECT    4    3    5                                                 
CONECT    5    4    1                                                 
CONECT    6    1    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10   15                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   27                                            
CONECT   20   19   15                                                 
CONECT   21   16                                                      
CONECT   22   23   24                                                 
CONECT   23    3   22   26                                            
CONECT   24   22   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   23                                                 
CONECT   27   19                                                      
CONECT   28   24   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0D6UT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.026   1.507   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.026   0.682   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.811   0.427   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.296   1.095   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.811   1.762   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.688   1.920   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.403   1.507   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.403   0.682   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.688   0.270   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.066   2.547   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.279   3.344   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1      -2.117   1.920   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.832   1.507   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.024  -0.370   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.441  -0.953   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.654  -1.750   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.451  -1.963   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.035  -1.380   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.821  -0.583   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.665  -2.760   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       2.462  -2.974   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       1.082  -3.344   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       2.832  -1.594   0.000  1.00  0.00           O  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   14                                            
CONECT    4    3    5                                                 
CONECT    5    4    1   10                                            
CONECT    6    1    7                                                 
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    5   11                                                 
CONECT   11   10                                                      
CONECT   12    7   13                                                 
CONECT   13   12                                                      
CONECT   14    3   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19   23                                            
CONECT   19   18   14                                                 
CONECT   20   17   21   22                                            
CONECT   21   20                                                      
CONECT   22   20                                                      
CONECT   23   18                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0D7AI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.753   1.627   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.753   0.802   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.038   0.389   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.324   0.802   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.324   1.627   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.038   2.039   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -5.467   2.039   0.000  1.00  0.00           F  
HETATM    8  F   UNL     1      -4.038  -0.436   0.000  1.00  0.00           F  
HETATM    9  C   UNL     1      -2.610   0.389   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.610  -0.436   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.895  -0.848   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.181  -0.436   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.181   0.389   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.895   0.802   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.466  -0.848   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.248  -0.436   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.248   0.389   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.466   0.802   0.000  1.00  0.00           C  
HETATM   19  H   UNL     1      -2.610   1.214   0.000  1.00  0.00           H  
HETATM   20  H   UNL     1      -1.181  -1.261   0.000  1.00  0.00           H  
HETATM   21  C   UNL     1       0.963  -0.848   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.677  -0.436   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       0.963  -1.673   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       2.431  -0.771   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.983  -0.158   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.570   0.556   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.764   0.385   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.686  -1.556   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       3.493  -1.727   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       4.045  -1.114   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.790  -0.330   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       4.852  -1.286   0.000  1.00  0.00           N  
HETATM   33  N   UNL     1       5.187  -2.039   0.000  1.00  0.00           N  
HETATM   34  N   UNL     1       6.008  -1.953   0.000  1.00  0.00           N  
HETATM   35  N   UNL     1       6.179  -1.146   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1       5.465  -0.734   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.467   0.389   0.000  1.00  0.00           C  
HETATM   38  N   UNL     1      -6.179  -0.022   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2   37    1    3                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    3                                                      
CONECT    9    4   10   14   19                                       
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15   20                                       
CONECT   13   12   14   18                                            
CONECT   14   13    9                                                 
CONECT   15   12   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19    9                                                      
CONECT   20   12                                                      
CONECT   21   16   22   23                                            
CONECT   22   21   24   27                                            
CONECT   23   21                                                      
CONECT   24   22   25   28                                            
CONECT   25   24   26   31                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   24   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30   25                                                 
CONECT   32   30   33   36                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   32                                                 
CONECT   37   38    2                                                 
CONECT   38   37                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0D7AJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.832   1.940   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.832   1.115   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.117   0.703   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.403   1.115   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.403   1.940   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.117   2.353   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.688   0.703   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.602  -0.118   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.795  -0.289   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.383   0.425   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.935   1.038   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.215  -0.670   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.000  -0.415   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.613  -0.967   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.442  -1.774   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.657  -2.029   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.044  -1.477   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.438   0.511   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.923  -0.156   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1       0.773   1.265   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.748  -0.156   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.194  -0.850   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.855  -1.602   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.337  -2.271   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.158  -2.189   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.497  -1.437   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.015  -0.767   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.570   1.479   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.784   2.276   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       1.200   2.859   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       1.922   0.650   0.000  1.00  0.00           O  
HETATM   32 CL   UNL     1       3.639  -2.859   0.000  1.00  0.00          Cl  
HETATM   33  O   UNL     1       2.594   2.384   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1       3.832   1.669   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.007   1.669   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    8   11    4                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   18                                            
CONECT   11   10    7                                                 
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   10   19   20                                            
CONECT   19   18   21                                                 
CONECT   20   18   28                                                 
CONECT   21   19   22   31                                            
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   32                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   20   29                                                 
CONECT   29   28   30   33                                            
CONECT   30   29                                                      
CONECT   31   21                                                      
CONECT   32   25                                                      
CONECT   33   29   35                                                 
CONECT   34   35                                                      
CONECT   35   33   34                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0D7EG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.084  -0.505   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.649  -0.128   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.343  -0.574   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       2.076  -0.196   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1       0.688   0.697   0.000  1.00  0.00           O  
HETATM    6  N   UNL     1       2.813  -0.567   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1       3.394   0.019   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       3.016   0.753   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.202   0.620   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.946  -1.381   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.307  -1.903   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.440  -2.717   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.212  -3.010   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.850  -2.487   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.717  -1.673   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.799  -0.093   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.308   1.524   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.616   1.200   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.885   0.728   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.692   0.899   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.104   0.185   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.552  -0.428   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.104   1.614   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.929   1.614   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.342   2.328   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.167   2.328   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.724  -1.235   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.509  -1.490   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.680  -2.297   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.067  -2.849   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.282  -2.594   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.111  -1.788   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1      -2.239  -3.656   0.000  1.00  0.00           F  
HETATM   34  C   UNL     1       4.109   1.723   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1       4.167   2.546   0.000  1.00  0.00           N  
HETATM   36  N   UNL     1       3.402   2.856   0.000  1.00  0.00           N  
HETATM   37  C   UNL     1       2.872   2.224   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       3.204   3.656   0.000  1.00  0.00           C  
CONECT    1    2   16                                                 
CONECT    2    1    3    5                                            
CONECT    3    2    4                                                 
CONECT    4    3    6    9                                            
CONECT    5    2                                                      
CONECT    6    4    7   10                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   17                                            
CONECT    9    8    4   18                                            
CONECT   10    6   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    1   19   22                                            
CONECT   17    8   34   37                                            
CONECT   18    9                                                      
CONECT   19   16   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   16   27                                            
CONECT   23   20   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25                                                      
CONECT   27   22   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   30                                                      
CONECT   34   17   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37   38                                            
CONECT   37   36   17                                                 
CONECT   38   36                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0D7MV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.716   0.841   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.716   0.016   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.430  -0.397   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.145   0.016   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.145   0.841   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.430   1.254   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.001   1.254   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.001   2.079   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.713   2.491   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.428   2.079   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.428   1.254   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.713   0.841   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1      -2.142   2.491   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.857   2.079   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.857   1.254   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.142   0.841   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.142   0.016   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.857  -0.397   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.857  -1.222   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.524  -1.706   0.000  1.00  0.00           C  
HETATM   21  S   UNL     1      -3.269  -2.491   0.000  1.00  0.00           S  
HETATM   22  C   UNL     1      -2.444  -2.491   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.189  -1.706   0.000  1.00  0.00           N  
HETATM   24  O   UNL     1      -3.571   0.016   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       2.857   1.254   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1       2.444   1.968   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1       3.571   1.666   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       3.269   0.539   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   25                                            
CONECT    6    5    1                                                 
CONECT    7    1    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12   16                                            
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11   17                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   24                                            
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   19                                                 
CONECT   24   18                                                      
CONECT   25    5   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END

$$$$

$$$$

$$$$
D0D7SL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -7.301   3.326   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.301   2.501   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.586   2.088   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.872   2.501   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.872   3.326   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.586   3.738   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -6.586   4.563   0.000  1.00  0.00           F  
HETATM    8  C   UNL     1      -6.586   1.263   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -5.157   3.738   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.443   3.326   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.729   3.738   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1      -4.443   2.501   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.014   3.326   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.014   2.501   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.300   2.088   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.585   2.501   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.585   3.326   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.300   3.738   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.871   2.088   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.871   1.263   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.585   0.851   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.585   0.026   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.871  -0.387   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.156   0.026   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.156   0.851   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.628  -0.229   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.113   0.438   0.000  1.00  0.00           C  
HETATM   28  S   UNL     1       0.628   1.106   0.000  1.00  0.00           S  
HETATM   29  C   UNL     1       1.938   0.438   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       2.351  -0.276   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       2.351   1.153   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       3.176  -0.276   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.588  -0.991   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.413  -0.991   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1       4.826  -1.705   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1       5.651  -1.705   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.413  -2.420   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       6.063  -0.991   0.000  1.00  0.00           C  
HETATM   39  O   UNL     1       6.888  -0.991   0.000  1.00  0.00           O  
HETATM   40  C   UNL     1       7.301  -0.276   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       4.826  -3.134   0.000  1.00  0.00           C  
HETATM   42  O   UNL     1       4.413  -3.849   0.000  1.00  0.00           O  
HETATM   43  O   UNL     1       5.651  -3.134   0.000  1.00  0.00           O  
HETATM   44  C   UNL     1       4.826  -4.563   0.000  1.00  0.00           C  
HETATM   45  O   UNL     1       5.651  -0.276   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    3                                                      
CONECT    9    5   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10   13                                                 
CONECT   12   10                                                      
CONECT   13   11   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   20   28                                            
CONECT   26   24   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   25                                                 
CONECT   29   27   30   31                                            
CONECT   30   29   32                                                 
CONECT   31   29                                                      
CONECT   32   30   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36   37                                            
CONECT   36   35   38                                                 
CONECT   37   35   41                                                 
CONECT   38   36   39   45                                            
CONECT   39   38   40                                                 
CONECT   40   39                                                      
CONECT   41   37   42   43                                            
CONECT   42   41   44                                                 
CONECT   43   41                                                      
CONECT   44   42                                                      
CONECT   45   38                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
M  END

$$$$
D0D7ZU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.951   0.659   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.865  -0.162   0.000  1.00  0.00           N  
HETATM    3  N   UNL     1      -0.058  -0.333   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.354   0.381   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.198   0.995   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.478  -0.714   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.263  -0.459   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.876  -1.011   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.704  -1.818   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.920  -2.072   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.307  -1.520   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -0.522  -1.775   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1       0.088   1.802   0.000  1.00  0.00           C  
HETATM   14 CL   UNL     1      -3.317  -2.370   0.000  1.00  0.00          Cl  
HETATM   15  C   UNL     1      -1.666   1.071   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.752   1.892   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.559   2.063   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.971   1.349   0.000  1.00  0.00           C  
HETATM   19 SE   UNL     1      -2.420   0.736   0.000  1.00  0.00          Se  
HETATM   20 BR   UNL     1      -3.792   1.263   0.000  1.00  0.00          Br  
HETATM   21  C   UNL     1       1.175   0.468   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       1.727  -0.145   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1       2.481   0.190   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       2.394   1.011   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       1.587   1.182   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       3.007   1.563   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.836   2.370   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.792   1.308   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.591   2.146   0.000  1.00  0.00           C  
CONECT    1    2    5   15                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   21                                            
CONECT    5    4    1   13                                            
CONECT    6    2    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10    6   12                                            
CONECT   12   11                                                      
CONECT   13    5                                                      
CONECT   14    9                                                      
CONECT   15    1   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   15                                                 
CONECT   20   18                                                      
CONECT   21    4   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   21                                                 
CONECT   26   24   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0D8AV
  -OEChem-09301911232D

 42 44  0     0  0  0  0  0  0999 V2000
    4.6038    0.8692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1340    1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660    1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3301    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4641   -0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -0.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320    0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2679   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2679    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1340   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1340    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3740    0.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3740   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4679    0.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4679   -0.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1340   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359    0.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5981    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    0.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038    0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -1.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4641    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3812    1.4996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3812   -1.8096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9322   -0.9879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5140   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1340   -2.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7540   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320   -0.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5970    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9966    1.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1995    1.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742    1.4958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2678   -0.9396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4681    0.6912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8617   -1.7442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -0.9288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8671    0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 19  1  0  0  0  0
  2 11  1  0  0  0  0
  2 34  1  0  0  0  0
  3 18  2  0  0  0  0
  4 26  1  0  0  0  0
  4 42  1  0  0  0  0
  5 26  2  0  0  0  0
  6 10  1  0  0  0  0
  6 14  2  0  0  0  0
  7 18  1  0  0  0  0
  7 20  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 17  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 27  1  0  0  0  0
 13 16  2  0  0  0  0
 13 28  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 26  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 23  1  0  0  0  0
 21 37  1  0  0  0  0
 22 24  2  0  0  0  0
 22 38  1  0  0  0  0
 23 25  2  0  0  0  0
 23 39  1  0  0  0  0
 24 25  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
M  END

$$$$
D0D8IZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.673  -0.465   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.256   0.118   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.991  -0.256   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.862  -1.071   0.000  1.00  0.00           C  
HETATM    5  S   UNL     1      -2.047  -1.200   0.000  1.00  0.00           S  
HETATM    6 CL   UNL     1      -3.445  -1.655   0.000  1.00  0.00          Cl  
HETATM    7  S   UNL     1      -0.848  -0.465   0.000  1.00  0.00           S  
HETATM    8  N   UNL     1      -0.023  -0.465   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -1.431   0.118   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1      -1.260  -1.180   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.561   0.118   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.148   0.833   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.386   0.118   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       0.561   1.547   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.798   0.833   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.798  -0.596   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.623   0.833   0.000  1.00  0.00           C  
HETATM   18  F   UNL     1       2.623   0.010   0.000  1.00  0.00           F  
HETATM   19  F   UNL     1       3.445   0.833   0.000  1.00  0.00           F  
HETATM   20  F   UNL     1       2.623   1.655   0.000  1.00  0.00           F  
HETATM   21  C   UNL     1       2.623  -0.596   0.000  1.00  0.00           C  
HETATM   22  F   UNL     1       2.623  -1.419   0.000  1.00  0.00           F  
HETATM   23  F   UNL     1       3.445  -0.596   0.000  1.00  0.00           F  
HETATM   24  F   UNL     1       2.623   0.226   0.000  1.00  0.00           F  
CONECT    1    2    5    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    1                                                 
CONECT    6    4                                                      
CONECT    7    1    8    9   10                                       
CONECT    8    7   11                                                 
CONECT    9    7                                                      
CONECT   10    7                                                      
CONECT   11   12    8   13                                            
CONECT   12   11   14                                                 
CONECT   13   11   15   16                                            
CONECT   14   12                                                      
CONECT   15   17   13                                                 
CONECT   16   21   13                                                 
CONECT   17   18   19   20   15                                       
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20   17                                                      
CONECT   21   22   23   24   16                                       
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24   21                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0D8KO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.604  -0.503   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.301  -1.270   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.484  -1.390   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.972  -0.744   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.276   0.023   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.092   0.144   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.763   0.670   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.156  -0.864   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.852  -1.631   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1      -3.644  -0.218   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.819  -0.252   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.532   0.521   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.178   1.034   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.865   0.577   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.293  -0.888   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.480  -0.750   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.192   0.023   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.718   0.659   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.379   0.161   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.210  -0.416   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.942  -0.034   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1       0.804   0.780   0.000  1.00  0.00           S  
HETATM   23  C   UNL     1      -0.012   0.900   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.395   1.631   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       1.681  -0.400   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       2.448  -0.097   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       2.568   0.720   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       3.094  -0.609   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.891  -0.395   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.474  -0.979   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.271  -0.765   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.485   0.032   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.902   0.615   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.105   0.402   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1       5.963  -1.215   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1       6.604  -0.695   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1       6.309   0.075   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    4    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11   14                                            
CONECT   11   10   12   15                                            
CONECT   12   11   13   18                                            
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   12                                                 
CONECT   19   17   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   19   24                                            
CONECT   24   23                                                      
CONECT   25   21   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26                                                      
CONECT   28   26   29                                                 
CONECT   29   28   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32   35                                            
CONECT   32   31   33   37                                            
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   31   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   32                                                 
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0D8LP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.357   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.357   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.072   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.786   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.786   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.072   2.062   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.501   0.412   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       3.215   0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.215   1.650   0.000  1.00  0.00           C  
HETATM   10  S   UNL     1       2.501   2.062   0.000  1.00  0.00           S  
HETATM   11  S   UNL     1       2.501  -0.412   0.000  1.00  0.00           S  
HETATM   12  C   UNL     1       3.215  -0.825   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       1.786  -0.825   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       3.215  -1.650   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.930  -2.062   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.644  -1.650   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.644  -0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.930  -0.412   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.357   0.412   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.072   0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.786   0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.501   0.825   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.215   0.412   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.930   0.825   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.644   0.412   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.644  -0.412   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.930  -0.825   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.215  -0.412   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       3.215   0.000   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   19                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    7   12   13   29                                       
CONECT   12   11   14   18                                            
CONECT   13   11                                                      
CONECT   14   12   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   12                                                 
CONECT   19    2   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   11                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0D8MK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572  -1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572  -2.475   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.858  -2.888   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.143  -2.475   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.143  -1.650   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.858  -1.238   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.429  -2.888   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.714  -2.475   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.000  -2.888   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.714  -2.475   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.714  -1.650   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.000  -1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.714  -1.650   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.429  -1.238   0.000  1.00  0.00           N  
HETATM   15  N   UNL     1      -2.858  -0.412   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       2.143  -1.650   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.858  -1.238   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.858  -0.412   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.143   0.000   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.429  -0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.572   0.000   0.000  1.00  0.00           C  
HETATM   22  F   UNL     1       1.429  -2.888   0.000  1.00  0.00           F  
HETATM   23  C   UNL     1      -2.143   0.000   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.714   0.000   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.714   0.825   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.429   1.238   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.143   0.825   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.429   2.062   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.714   2.475   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       0.000   2.888   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   15                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   22                                            
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   16   20                                            
CONECT   15    6   23                                                 
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   14                                                 
CONECT   21   18                                                      
CONECT   22   10                                                      
CONECT   23   15   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   23                                                 
CONECT   29   27   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0D8PF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.061   1.940   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.061   1.115   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.776   0.703   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.490   1.115   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.490   1.940   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.776   2.353   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1       3.204   2.353   0.000  1.00  0.00           F  
HETATM    8  N   UNL     1       1.776  -0.122   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.061  -0.535   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.061  -1.360   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.776  -1.772   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.490  -1.360   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.490  -0.535   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.061  -2.185   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.346  -1.772   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1       1.061  -3.010   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1       2.490  -2.185   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       3.204  -1.772   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.346   0.703   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.368   1.115   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.082   0.703   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.368   1.940   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.836   1.038   0.000  1.00  0.00           C  
HETATM   24  S   UNL     1      -2.388   0.425   0.000  1.00  0.00           S  
HETATM   25  C   UNL     1      -1.976  -0.289   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.169  -0.118   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.311  -1.043   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.118  -1.215   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.204  -2.035   0.000  1.00  0.00           N  
HETATM   30  N   UNL     1      -2.451  -2.371   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -1.899  -1.758   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       1.776   3.178   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1      -2.279  -3.178   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   19                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   32                                            
CONECT    7    5                                                      
CONECT    8    3    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14   17                                       
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15   16                                            
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17   11   18                                                 
CONECT   18   17                                                      
CONECT   19    2   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   23   26                                            
CONECT   22   20                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   21                                                 
CONECT   27   25   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   27                                                 
CONECT   32    6                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END

$$$$

$$$$

$$$$
D0D8RR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.841  -1.842   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.666  -1.842   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.078  -2.557   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.666  -3.271   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.841  -3.271   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.428  -2.557   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.428  -1.128   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.603  -1.128   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.191  -0.413   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.603   0.301   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.428   0.301   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.841  -0.413   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.191   1.016   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.603   1.730   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.428   1.730   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.841   1.016   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.366  -0.413   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       0.047   0.301   0.000  1.00  0.00           O  
HETATM   19  N   UNL     1       0.047  -1.128   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       0.872  -1.128   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       1.357  -1.795   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       2.141  -1.540   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.141  -0.715   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1       1.357  -0.460   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       2.809  -2.025   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.809  -2.850   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       3.593  -3.105   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.078  -2.438   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.593  -1.770   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.191   2.446   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -0.366   2.446   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1      -0.366   3.271   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       0.459   2.446   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -0.366   1.621   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   17                                            
CONECT   10    9   11   13                                            
CONECT   11   10   12   16                                            
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15   30                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    9   18   19                                            
CONECT   18   17                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   20                                                 
CONECT   25   22   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   25                                                 
CONECT   30   14   31                                                 
CONECT   31   30   32   33   34                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0D9CK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.771   2.475   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.771   1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.057   1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.342   1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.342   2.475   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.057   2.888   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.628   2.888   0.000  1.00  0.00           C  
HETATM    8 CL   UNL     1      -5.057   0.412   0.000  1.00  0.00          Cl  
HETATM    9  N   UNL     1      -2.913   2.475   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.199   2.888   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.484   2.475   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.199   3.712   0.000  1.00  0.00           O  
HETATM   13  N   UNL     1      -1.484   1.650   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.770   1.238   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.770   0.412   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.055   1.650   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.484   0.000   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.484  -0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.770  -1.238   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.055  -0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.055   0.000   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.770  -2.062   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.484  -2.475   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.484  -3.300   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.770  -3.712   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.055  -3.300   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.055  -2.475   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.770   2.888   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.055   2.475   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.659   2.888   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.374   2.475   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       2.088   2.888   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       2.803   2.475   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.628   2.475   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.215   3.189   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.342   2.062   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.342   1.238   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       5.057   0.825   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       5.771   1.238   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       5.771   2.062   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       5.057   2.475   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    9                                                 
CONECT    8    3                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10   13   28                                            
CONECT   12   10                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   17   21                                            
CONECT   16   14                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   15                                                 
CONECT   22   19   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   11   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   35                                            
CONECT   34   33   35   36                                            
CONECT   35   34   33                                                 
CONECT   36   34   37   41                                            
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41                                                 
CONECT   41   40   36                                                 
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D0DA4Y
  -OEChem-09301911262D

 41 42  0     0  0  0  0  0  0999 V2000
    8.1962   -2.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    1.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -3.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -2.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1962    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9841    3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5856    2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8626    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0656    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7932   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3722    2.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7522    3.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3 26  1  0  0  0  0
  4 26  1  0  0  0  0
  5 26  1  0  0  0  0
  8 19  2  0  0  0  0
  9 13  1  0  0  0  0
  9 19  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 17  2  0  0  0  0
 14 31  1  0  0  0  0
 15 18  2  0  0  0  0
 15 32  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
 22 24  2  0  0  0  0
 22 26  1  0  0  0  0
 23 25  2  0  0  0  0
 23 39  1  0  0  0  0
 24 25  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
M  END

$$$$
D0DA6B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.713   0.221   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.713  -0.604   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.998  -1.017   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.284  -0.604   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.284   0.221   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.998   0.633   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.639  -1.119   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.834  -0.935   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.476  -0.192   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.834   0.551   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.639   0.735   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.370  -1.617   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.547  -1.555   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.189  -0.812   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.654  -0.130   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.296   0.613   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       0.527   0.675   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.992  -0.007   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.814   0.055   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.172   0.798   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.708   1.480   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.885   1.418   0.000  1.00  0.00           C  
HETATM   23  F   UNL     1       0.420   2.100   0.000  1.00  0.00           F  
HETATM   24  N   UNL     1       2.995   0.860   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       3.353   1.603   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.176   1.665   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.640   0.983   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       4.283   0.240   0.000  1.00  0.00           N  
HETATM   29  O   UNL     1       5.463   1.045   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       2.888   2.285   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       4.747  -0.442   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.389  -1.185   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.854  -1.867   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       5.677  -1.805   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       6.035  -1.062   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       5.570  -0.380   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1       6.141  -2.487   0.000  1.00  0.00           F  
HETATM   38  O   UNL     1      -5.427   0.633   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1      -6.141   0.221   0.000  1.00  0.00           C  
HETATM   40  O   UNL     1      -5.427  -1.017   0.000  1.00  0.00           O  
HETATM   41  C   UNL     1      -6.141  -0.604   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       4.856   2.131   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       4.112   2.487   0.000  1.00  0.00           C  
CONECT    1    2    6   38                                            
CONECT    2    1    3   40                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10   15                                            
CONECT   10    9   11                                                 
CONECT   11   10    5                                                 
CONECT   12    8   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    9   16                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   17   23                                            
CONECT   23   22                                                      
CONECT   24   20   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27   42   43                                       
CONECT   27   26   28   29                                            
CONECT   28   27   31                                                 
CONECT   29   27                                                      
CONECT   30   25                                                      
CONECT   31   28   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   37                                            
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
CONECT   37   34                                                      
CONECT   38    1   39                                                 
CONECT   39   38                                                      
CONECT   40    2   41                                                 
CONECT   41   40                                                      
CONECT   42   26   43                                                 
CONECT   43   42   26                                                 
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
M  END

$$$$
D0DA8D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143  -0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.858  -1.856   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143  -2.269   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429  -1.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429  -1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.715  -2.269   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.000  -1.856   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.000  -1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.715  -0.619   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.143   0.206   0.000  1.00  0.00           N  
HETATM   12  S   UNL     1      -1.429   0.619   0.000  1.00  0.00           S  
HETATM   13  C   UNL     1      -0.715   1.031   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.841   1.333   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1      -1.016  -0.096   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       0.000   0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.715   1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.715   1.856   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.000   2.269   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.715   1.856   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.143   1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.143   1.856   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.429   2.269   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       2.858   2.269   0.000  1.00  0.00           C  
CONECT    1    2    6   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   10                                            
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    6                                                 
CONECT   11    1   12                                                 
CONECT   12   11   13   14   15                                       
CONECT   13   12   16   20                                            
CONECT   14   12                                                      
CONECT   15   12                                                      
CONECT   16   13   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   13                                                 
CONECT   21   22                                                      
CONECT   22   21   23   24                                            
CONECT   23   22   18                                                 
CONECT   24   22                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0DB0Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.628   0.770   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.628  -0.055   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.913  -0.468   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.199  -0.055   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.199   0.770   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.913   1.182   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.484   1.182   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.770   0.770   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.770  -0.055   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.055  -0.468   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.659  -0.055   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.659   0.770   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.055   1.182   0.000  1.00  0.00           C  
HETATM   14  S   UNL     1       1.374  -0.468   0.000  1.00  0.00           S  
HETATM   15  C   UNL     1       2.088  -0.055   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.803  -0.468   0.000  1.00  0.00           C  
HETATM   17  S   UNL     1       3.215  -1.182   0.000  1.00  0.00           S  
HETATM   18  C   UNL     1       3.628  -0.468   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       0.961  -1.182   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1       1.786  -1.182   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15   19   20                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   18                                                 
CONECT   18   17   16                                                 
CONECT   19   14                                                      
CONECT   20   14                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0DB3L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.357   0.034   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.357  -0.791   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.357  -1.203   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.072  -0.791   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.072   0.034   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.357   0.447   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.970  -1.343   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.635  -2.097   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.186  -2.010   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1       1.786   0.447   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       2.501   0.034   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.501  -0.791   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.215  -1.203   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.930  -0.791   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.930   0.034   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.215   0.447   0.000  1.00  0.00           C  
HETATM   17  F   UNL     1       3.215   1.272   0.000  1.00  0.00           F  
HETATM   18 BR   UNL     1       4.644  -1.203   0.000  1.00  0.00          Br  
HETATM   19  C   UNL     1       0.357   1.272   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.357   1.684   0.000  1.00  0.00           N  
HETATM   21  O   UNL     1      -1.072   1.272   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.786   1.684   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.501   1.272   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.215   1.684   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.930   1.272   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.644   1.684   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.930   2.097   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.342   0.557   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       1.072   1.684   0.000  1.00  0.00           O  
HETATM   30  F   UNL     1       1.786  -1.203   0.000  1.00  0.00           F  
HETATM   31  C   UNL     1      -1.777  -1.171   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5   30                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   19                                            
CONECT    7    2    8   31                                            
CONECT    8    7    9                                                 
CONECT    9    8    3                                                 
CONECT   10    5   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   11   17                                            
CONECT   17   16                                                      
CONECT   18   14                                                      
CONECT   19    6   20   29                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
CONECT   29   19                                                      
CONECT   30    4                                                      
CONECT   31    7                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0DB7W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.172  -0.822   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.884  -0.411   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.884   0.411   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.172   0.822   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.460   0.411   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.460  -0.411   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -2.172  -1.644   0.000  1.00  0.00          Cl  
HETATM    8 CL   UNL     1      -3.596  -0.822   0.000  1.00  0.00          Cl  
HETATM    9  C   UNL     1      -0.748   0.822   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.748   1.644   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.036   0.411   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.786   0.411   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.376  -0.301   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.611   0.411   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       2.096  -0.256   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       2.881  -0.001   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.881   0.824   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       2.096   1.079   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       3.596  -0.414   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    2                                                      
CONECT    9    5   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   12   13                                            
CONECT   12   11   13   14                                            
CONECT   13   12   11                                                 
CONECT   14   12   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   14                                                 
CONECT   19   16                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D0DB8G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.382  -0.976   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.557  -0.976   0.000  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.072  -1.643   0.000  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.288  -1.389   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.288  -0.564   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.072  -0.308   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.795  -0.262   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.620  -0.262   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.032  -0.976   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.620  -1.690   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.795  -1.690   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -5.857  -0.976   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1      -0.573  -1.801   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.141  -1.389   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.141  -0.564   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.573  -0.151   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.856  -0.151   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.570  -0.564   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.285  -0.151   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.285   0.674   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.570   1.087   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.856   0.674   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       2.999  -0.564   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       3.714  -0.151   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.714   0.674   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.999   1.087   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       4.428   1.087   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.143   0.674   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       5.857   0.262   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       4.841   1.801   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.016   1.801   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1      -0.573   0.674   0.000  1.00  0.00           O  
CONECT    1    2    7   11                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    6   16                                            
CONECT    6    5    2                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11                                                 
CONECT   11   10    1                                                 
CONECT   12    9                                                      
CONECT   13    4   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15    5   32                                            
CONECT   17   15   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21   26                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   19   24                                                 
CONECT   24   23                                                      
CONECT   25   26   27                                                 
CONECT   26   25   20                                                 
CONECT   27   25   28   30   31                                       
CONECT   28   27   29                                                 
CONECT   29   28                                                      
CONECT   30   27   31                                                 
CONECT   31   30   27                                                 
CONECT   32   16                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0DC2P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.654   2.901   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.654   2.076   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.060   1.663   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.775   2.076   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.775   2.901   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.060   3.313   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.560   1.821   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.044   2.489   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1       1.560   3.156   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -1.369   1.663   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.083   2.076   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.797   1.663   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.083   2.901   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.814   1.036   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       1.329   0.369   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.814  -0.298   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.599  -0.043   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.599   0.781   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.643  -1.105   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.256  -1.657   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.041  -1.403   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.212  -0.596   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       3.654  -1.954   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       3.482  -2.761   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.095  -3.313   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       4.880  -3.059   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       5.051  -2.252   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.438  -1.700   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.512   2.076   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.226   1.663   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.226   0.839   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.512   0.426   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.797   0.839   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1      -5.051   0.839   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -4.639   0.124   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   14                                            
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    2   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11   29   33                                            
CONECT   13   11                                                      
CONECT   14    7   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18   22                                            
CONECT   18   17   14                                                 
CONECT   19   16   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   17                                                 
CONECT   23   21   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   12   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   34   35                                       
CONECT   32   31   33                                                 
CONECT   33   32   12                                                 
CONECT   34   31                                                      
CONECT   35   31                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END

$$$$

$$$$

$$$$
D0DC3S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.779   1.129   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.954   1.129   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.541   1.843   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.954   2.558   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.779   2.558   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.191   1.843   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.716   1.843   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.231   1.176   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.447   1.431   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.447   2.256   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.231   2.511   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.486   0.391   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.221   2.741   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.974   2.405   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.061   1.585   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.814   1.249   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.482   1.734   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.395   2.554   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.642   2.890   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       3.235   1.399   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       3.322   0.578   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       2.654   0.093   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       4.075   0.242   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       4.162  -0.578   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       4.915  -0.914   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       5.001  -1.734   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       4.334  -2.219   0.000  1.00  0.00           O  
HETATM   28  N   UNL     1       5.755  -2.070   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       5.841  -2.890   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.293   0.220   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.548  -0.565   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.996  -1.178   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.189  -1.006   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.934  -0.222   0.000  1.00  0.00           C  
HETATM   35 BR   UNL     1      -2.251  -1.963   0.000  1.00  0.00          Br  
HETATM   36  S   UNL     1      -5.016   1.845   0.000  1.00  0.00           S  
HETATM   37  O   UNL     1      -5.016   1.020   0.000  1.00  0.00           O  
HETATM   38  O   UNL     1      -5.841   1.845   0.000  1.00  0.00           O  
HETATM   39  N   UNL     1      -5.016   2.670   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   36                                            
CONECT    7    3    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10    7                                                 
CONECT   12    8   30   34                                            
CONECT   13   10   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26                                                      
CONECT   28   26   29                                                 
CONECT   29   28                                                      
CONECT   30   12   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   35                                            
CONECT   33   32   34                                                 
CONECT   34   33   12                                                 
CONECT   35   32                                                      
CONECT   36    6   37   38   39                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   36                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0DC4O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786   1.389   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786   0.564   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072   0.151   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357   0.564   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357   1.389   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072   1.801   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.501   0.151   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.215   0.564   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.215   1.389   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.930   1.801   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.644   1.389   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.644   0.564   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.930   0.151   0.000  1.00  0.00           C  
HETATM   14 CL   UNL     1      -3.930  -0.674   0.000  1.00  0.00          Cl  
HETATM   15 CL   UNL     1      -2.501   1.801   0.000  1.00  0.00          Cl  
HETATM   16  C   UNL     1       0.357   0.151   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.072   0.564   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       0.357  -0.674   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.786   0.151   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.786  -0.674   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.501  -1.087   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.215  -0.674   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.215   0.151   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.501   0.564   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.930  -1.087   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.342  -0.372   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.517  -1.801   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.644  -1.499   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.974  -0.814   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.259  -1.226   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -1.545  -0.814   0.000  1.00  0.00           O  
CONECT    1    2    6   15                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8   29                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8   14                                            
CONECT   14   13                                                      
CONECT   15    1                                                      
CONECT   16    4   17   18                                            
CONECT   17   16   19                                                 
CONECT   18   16                                                      
CONECT   19   17   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
CONECT   29    7   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0DC7I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.789   1.269   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.614   1.269   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.869   0.484   0.000  1.00  0.00           C  
HETATM    4  S   UNL     1      -1.202  -0.001   0.000  1.00  0.00           S  
HETATM    5  C   UNL     1      -0.534   0.484   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       0.250   0.229   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       0.863   0.781   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.578   0.369   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.292   0.781   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       2.292   1.606   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.578   2.019   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.863   1.606   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.654   0.229   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.267   0.781   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -4.052   0.526   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.766   0.939   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.481   0.526   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.481  -0.299   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.766  -0.711   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.052  -0.299   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.766   1.764   0.000  1.00  0.00           C  
HETATM   22 CL   UNL     1      -3.337  -0.711   0.000  1.00  0.00          Cl  
HETATM   23  O   UNL     1      -2.654  -0.596   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       1.578   2.844   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       3.007   0.369   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       5.481  -2.844   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.655  -2.844   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.243  -2.129   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.418  -2.129   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.006  -1.415   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.180  -1.415   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       1.768  -2.129   0.000  1.00  0.00           N  
HETATM   33  O   UNL     1       1.768  -0.700   0.000  1.00  0.00           O  
CONECT    1    2    5                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   13                                            
CONECT    4    3    5                                                 
CONECT    5    4    1    6                                            
CONECT    6    5    7                                                 
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   25                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   24                                            
CONECT   12   11    7                                                 
CONECT   13    3   14   23                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   22                                            
CONECT   21   16                                                      
CONECT   22   20                                                      
CONECT   23   13                                                      
CONECT   24   11                                                      
CONECT   25    9   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   33                                            
CONECT   32   31                                                      
CONECT   33   31                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0DC8B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.472  -0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.472  -1.235   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.760  -1.646   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.048  -1.235   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.048  -0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.760  -0.001   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.734  -1.489   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1       1.217  -0.824   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.734  -0.158   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.039  -0.824   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.184  -0.001   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.184   0.821   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.896   1.232   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.472   1.232   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1      -3.611   0.819   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.325   1.232   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.325   2.057   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.611   2.469   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.896   2.057   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.452  -0.109   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.277  -0.109   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1       2.039   0.605   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       3.689  -0.824   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.514  -0.824   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       4.927  -0.109   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       4.514   0.605   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.689   0.605   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.752  -0.109   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.040   0.819   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1      -5.451   1.531   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -5.752   0.408   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -4.628   0.107   0.000  1.00  0.00           F  
HETATM   33  O   UNL     1      -2.187  -1.647   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1      -2.187  -2.469   0.000  1.00  0.00           C  
CONECT    1    2    6   11                                            
CONECT    2   33    1    3                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   20                                                 
CONECT   11    1   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   15   19                                            
CONECT   14   12                                                      
CONECT   15   13   16                                                 
CONECT   16   29   15   17                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   13                                                 
CONECT   20   10   21   22                                            
CONECT   21   20   23   27                                            
CONECT   22   20                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   21                                                 
CONECT   28   25                                                      
CONECT   29   30   31   32   16                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
CONECT   33   34    2                                                 
CONECT   34   33                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0DD4I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -6.430  -0.204   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.716   0.208   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.001  -0.204   0.000  1.00  0.00           N  
HETATM    4  N   UNL     1      -5.716   1.033   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.001  -1.029   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.287  -1.442   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.572  -1.029   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.572  -0.204   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.287   0.208   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.858  -1.442   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.143  -1.029   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.429  -1.442   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.714  -1.029   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.714  -0.204   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.429   0.208   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.143  -0.204   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.000  -1.442   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       0.000  -2.267   0.000  1.00  0.00           O  
HETATM   19  N   UNL     1       0.714  -1.029   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.429  -1.442   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.143  -1.029   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.143  -0.204   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.429   0.208   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.714  -0.204   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.858   0.208   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.858   1.033   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       3.572  -0.204   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.572  -1.029   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.287  -1.442   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.001  -1.029   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.001  -0.204   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.287   0.208   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       5.716  -1.442   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       6.430  -1.029   0.000  1.00  0.00           N  
HETATM   35  N   UNL     1       5.716  -2.267   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1      -1.429   1.033   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1      -2.141   1.444   0.000  1.00  0.00           O  
HETATM   38  O   UNL     1      -0.717   1.444   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1      -0.717   2.267   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1    3    4                                            
CONECT    3    2    5    9                                            
CONECT    4    2                                                      
CONECT    5    3    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    3                                                 
CONECT   10    7   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   36   14   16                                            
CONECT   16   15   11                                                 
CONECT   17   13   18   19                                            
CONECT   18   17                                                      
CONECT   19   17   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22   26   27                                            
CONECT   26   25                                                      
CONECT   27   25   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   30   34   35                                            
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   37   38   15                                            
CONECT   37   36                                                      
CONECT   38   39   36                                                 
CONECT   39   38                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0DD7K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.290   0.551   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.290  -0.274   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.004  -0.686   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       2.719  -0.274   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.719   0.551   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.004   0.964   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.433  -0.686   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       4.147  -0.274   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       4.861  -0.686   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       3.433  -1.511   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1       4.948  -1.507   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1       5.755  -1.678   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       6.167  -0.964   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1       5.615  -0.350   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       5.829   0.446   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.290   1.376   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.505   1.631   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.020   0.964   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       0.505   0.296   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.805   0.964   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.217   1.678   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.042   1.678   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.455   0.964   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.042   0.249   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.217   0.249   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.280   0.964   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.692   0.249   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.517   0.249   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.930   0.964   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.755   0.964   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.167   0.249   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.755  -0.465   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.930  -0.465   0.000  1.00  0.00           C  
CONECT    1    2    6   16   19                                       
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8   11   14                                            
CONECT   10    7                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9   15                                            
CONECT   15   14                                                      
CONECT   16    1   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18    1                                                 
CONECT   20   18   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0DE0C
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.990   2.702   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.990   1.877   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.275   1.464   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.561   1.877   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.561   2.702   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.275   3.114   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.846   1.464   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.760   0.644   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.953   0.472   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.540   1.187   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.093   1.800   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.373   0.092   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.158   0.347   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.771  -0.205   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.599  -1.012   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.815  -1.267   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.201  -0.715   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -4.704   3.114   0.000  1.00  0.00          Cl  
HETATM   19  C   UNL     1       0.267   1.358   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.521   2.143   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.031   2.756   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.838   2.584   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1       0.819   0.745   0.000  1.00  0.00           N  
HETATM   24 CL   UNL     1      -1.417  -0.970   0.000  1.00  0.00          Cl  
HETATM   25  C   UNL     1       0.564  -0.039   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.116  -0.652   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.923  -0.481   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.178   0.304   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.625   0.917   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       2.475  -1.094   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       3.300  -1.094   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       3.712  -0.380   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       3.712  -1.809   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.377  -2.562   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.990  -3.114   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.704  -2.702   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.533  -1.895   0.000  1.00  0.00           C  
CONECT    1    2    6   18                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   19                                            
CONECT   11   10    7   22                                            
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   24                                            
CONECT   18    1                                                      
CONECT   19   10   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   11                                                 
CONECT   23   19   25   29                                            
CONECT   24   17                                                      
CONECT   25   23   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   23                                                 
CONECT   30   27   31                                                 
CONECT   31   30   32   33                                            
CONECT   32   31                                                      
CONECT   33   31   34   37                                            
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   33                                                 
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0DE0Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.593   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.593   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.878   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.164   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.164   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.878   2.062   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -4.307   2.062   0.000  1.00  0.00          Cl  
HETATM    8  N   UNL     1      -4.307  -0.412   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -5.021  -0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.021  -1.650   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -4.307  -2.062   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.593  -1.650   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.593  -0.825   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.449   0.412   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.735   0.825   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.735   1.650   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.020   0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.020  -0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.694  -0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.409  -0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.409   0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.694   0.825   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.838  -0.412   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       3.519  -0.877   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.308  -0.634   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.609   0.134   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.197   0.848   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.381   0.971   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.776   0.410   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.573   0.197   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.661   1.530   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.021   0.848   0.000  1.00  0.00           C  
HETATM   33  S   UNL     1      -4.406   0.363   0.000  1.00  0.00           S  
HETATM   34  O   UNL     1      -3.593   0.506   0.000  1.00  0.00           O  
HETATM   35  O   UNL     1      -4.123  -0.412   0.000  1.00  0.00           O  
HETATM   36  S   UNL     1       2.121  -1.044   0.000  1.00  0.00           S  
HETATM   37  O   UNL     1       1.590  -0.412   0.000  1.00  0.00           O  
HETATM   38  O   UNL     1       2.651  -0.412   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3   33                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   14                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    9   13   33                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    4   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15                                                      
CONECT   17   15   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   36                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   24   29   36                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   31   32                                       
CONECT   28   27   29                                                 
CONECT   29   28   23   30                                            
CONECT   30   29   25                                                 
CONECT   31   27                                                      
CONECT   32   27                                                      
CONECT   33    2    8   34   35                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   20   23   37   38                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0DE4E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.730  -0.019   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.730  -0.844   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.946  -1.099   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.461  -0.431   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.946   0.236   0.000  1.00  0.00           N  
HETATM    6  O   UNL     1      -2.398   0.466   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -0.732   1.033   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.065   1.247   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.316   1.617   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.112   1.403   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.696   1.986   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.482   2.783   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.493   1.773   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.279   2.570   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.398  -1.329   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.151  -0.993   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.819  -1.478   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.733  -2.298   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.979  -2.634   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.312  -2.149   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.573  -1.142   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.240  -1.627   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.154  -2.448   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.400  -2.783   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.048  -1.146   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.777  -1.146   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.189  -0.431   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.777   0.283   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.048   0.283   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.014  -0.431   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.427  -1.146   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.427   0.283   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.839  -0.431   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       0.648   0.663   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.445   0.877   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       1.658   1.674   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       1.075   2.257   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       0.278   2.044   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       2.455   1.887   0.000  1.00  0.00           C  
HETATM   40  O   UNL     1       2.669   2.684   0.000  1.00  0.00           O  
HETATM   41  N   UNL     1       3.039   1.304   0.000  1.00  0.00           N  
HETATM   42  C   UNL     1       3.836   1.518   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       4.248   0.803   0.000  1.00  0.00           C  
HETATM   44  N   UNL     1       3.913   0.049   0.000  1.00  0.00           N  
HETATM   45  N   UNL     1       4.526  -0.503   0.000  1.00  0.00           N  
HETATM   46  N   UNL     1       5.240  -0.090   0.000  1.00  0.00           N  
HETATM   47  N   UNL     1       5.069   0.717   0.000  1.00  0.00           N  
CONECT    1    2    5    6                                            
CONECT    2    1    3   15                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   25   29                                       
CONECT    5    4    1    7                                            
CONECT    6    1                                                      
CONECT    7    5    8    9                                            
CONECT    8    7   34   38                                            
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   13   14                                       
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14   11                                                      
CONECT   15    2   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19   24                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   17   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
CONECT   25    4   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28    4                                                 
CONECT   30   27   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
CONECT   34    8   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37   39                                            
CONECT   37   36   38                                                 
CONECT   38   37    8                                                 
CONECT   39   36   40   41                                            
CONECT   40   39                                                      
CONECT   41   39   42                                                 
CONECT   42   41   43                                                 
CONECT   43   42   44   47                                            
CONECT   44   43   45                                                 
CONECT   45   44   46                                                 
CONECT   46   45   47                                                 
CONECT   47   46   43                                                 
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
M  END

$$$$
D0DE5I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   1.422   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501   0.597   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786   0.185   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072   0.597   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072   1.422   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   1.835   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.215   0.185   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.930   0.597   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.930   1.422   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.644   1.835   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.359   1.422   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.359   0.597   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.644   0.185   0.000  1.00  0.00           C  
HETATM   14 CL   UNL     1      -4.644  -0.640   0.000  1.00  0.00          Cl  
HETATM   15 CL   UNL     1      -3.258   1.878   0.000  1.00  0.00          Cl  
HETATM   16  C   UNL     1      -0.357   0.185   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.357   0.597   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1      -0.357  -0.640   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.072   0.185   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.072  -0.640   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.786  -1.053   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.501  -0.640   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.501   0.185   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.786   0.597   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       3.215  -1.053   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       3.930  -0.640   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.644  -1.053   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.359  -0.640   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.644  -1.878   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.215  -0.640   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.501  -1.053   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.786  -0.640   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       3.212   0.597   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       3.927   0.185   0.000  1.00  0.00           O  
HETATM   35  N   UNL     1       3.212   1.422   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1       2.498   1.835   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.927   1.835   0.000  1.00  0.00           C  
CONECT    1    2    6   15                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8   30                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8   14                                            
CONECT   14   13                                                      
CONECT   15    1                                                      
CONECT   16    4   17   18                                            
CONECT   17   16   19                                                 
CONECT   18   16                                                      
CONECT   19   17   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24   33                                            
CONECT   24   23   19                                                 
CONECT   25   22   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30    7   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31                                                      
CONECT   33   23   34   35                                            
CONECT   34   33                                                      
CONECT   35   33   36   37                                            
CONECT   36   35                                                      
CONECT   37   35                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0DE5K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.583   0.406   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.869  -0.007   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.154   0.406   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.440  -0.007   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.275   0.406   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.989  -0.007   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.275   1.231   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.440  -0.832   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.797   1.203   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.620   1.246   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.916   0.476   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1      -3.275  -0.043   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.275  -0.869   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.990  -1.281   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.990  -2.106   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.275  -2.518   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.561  -2.106   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.561  -1.281   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -1.846  -2.518   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1       0.989  -0.832   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.704  -1.244   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.418  -0.832   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.418  -0.007   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.704   0.406   0.000  1.00  0.00           C  
HETATM   25  H   UNL     1       3.133   0.406   0.000  1.00  0.00           H  
HETATM   26  C   UNL     1       2.644  -1.938   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       3.358  -2.351   0.000  1.00  0.00           N  
HETATM   28  S   UNL     1       4.073  -1.938   0.000  1.00  0.00           S  
HETATM   29  O   UNL     1       3.660  -1.224   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       4.485  -2.653   0.000  1.00  0.00           O  
HETATM   31  N   UNL     1       4.787  -1.526   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1      -4.073   1.938   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.787   1.526   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.485   2.653   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.358   2.351   0.000  1.00  0.00           C  
CONECT    1    2    9   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5   20   24                                            
CONECT    7    5                                                      
CONECT    8    4                                                      
CONECT    9    1   10                                                 
CONECT   10    9   11   32                                            
CONECT   11   10   12                                                 
CONECT   12   11    1   13                                            
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   13                                                 
CONECT   19   17                                                      
CONECT   20    6   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24   25                                            
CONECT   24   23    6                                                 
CONECT   25   23                                                      
CONECT   26   22   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
CONECT   32   10   33   34   35                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0DF2M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.992   0.412   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.992  -0.412   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.278  -0.825   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.437  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.437   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.278   0.825   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.222  -0.667   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.706   0.000   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.222   0.667   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -0.278   1.650   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1      -1.706  -0.825   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.706   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.278  -1.650   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4   13                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    6                                                      
CONECT   11    2                                                      
CONECT   12    1                                                      
CONECT   13    3                                                      
MASTER        0    0    0    0    0    0    0    0   13    0   13    0
END
M  END

$$$$
D0DF6B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.277   2.150   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.677   1.429   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.252   0.721   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.427   0.736   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.027   1.457   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.452   2.164   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.003   0.028   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.178   0.042   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.403  -0.693   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.228  -0.707   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.628  -1.429   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.204  -2.136   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.379  -2.122   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.978  -1.401   0.000  1.00  0.00           C  
HETATM   15 CL   UNL     1      -3.701   2.857   0.000  1.00  0.00          Cl  
HETATM   16 CL   UNL     1      -3.604  -2.857   0.000  1.00  0.00          Cl  
HETATM   17  C   UNL     1      -0.353   0.042   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.230  -0.541   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.814   0.042   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       0.230   0.626   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.639   0.042   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       2.051   0.757   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1       2.051  -0.672   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       2.876  -0.672   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.289  -1.387   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.289   0.042   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.701  -0.672   0.000  1.00  0.00           C  
CONECT    1    2    6   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   17                                                 
CONECT    9    7   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    1                                                      
CONECT   16   12                                                      
CONECT   17    8   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   17                                                 
CONECT   21   19   22   23                                            
CONECT   22   21                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25   26   27                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0DG4A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.845   1.007   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.845   0.182   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.131  -0.230   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.416   0.182   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.416   1.007   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.131   1.420   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.630   1.262   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.115   0.595   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.630  -0.072   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.885   2.047   0.000  1.00  0.00           O  
HETATM   11 CL   UNL     1      -3.131  -1.055   0.000  1.00  0.00          Cl  
HETATM   12  C   UNL     1      -1.702  -0.230   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.987   0.182   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.702  -1.055   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1      -0.273  -0.230   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.273  -1.055   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.442  -1.468   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.156  -1.055   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.156  -0.230   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.442   0.182   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.242  -1.876   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.049  -2.047   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.462  -1.333   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.910  -0.719   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       2.081   0.088   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       3.282  -1.246   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.834  -1.859   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       4.588  -1.524   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       4.502  -0.703   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.695  -0.532   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.359   0.222   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       5.115  -0.151   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   11                                            
CONECT    4    3    5   12                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    7                                                      
CONECT   11    3                                                      
CONECT   12    4   13   14                                            
CONECT   13   12   15                                                 
CONECT   14   12                                                      
CONECT   15   13   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21   24                                       
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   18   25                                            
CONECT   25   24                                                      
CONECT   26   23   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   26   31                                            
CONECT   31   30                                                      
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0DG7E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.296  -0.061   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.296  -0.886   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.419  -1.299   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.133  -0.886   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.133  -0.061   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.419   0.351   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.010  -1.299   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.725  -0.886   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.439  -1.299   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.154  -0.886   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.154  -0.061   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.439   0.351   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.725  -0.061   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.010   0.351   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.848   0.351   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.562  -0.061   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       3.277   0.351   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.868  -1.299   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.582  -0.886   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.582  -0.061   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.868   0.351   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.030   0.016   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.582   0.629   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.170   1.343   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.363   1.172   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.202  -0.791   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       3.589  -1.343   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   15                                            
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   18                                                 
CONECT   11   12   21                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13                                                      
CONECT   15    5   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   22   25                                            
CONECT   18   10   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   11                                                 
CONECT   22   17   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   17                                                 
CONECT   26   22   27                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0DH0O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.232  -0.167   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.644   0.547   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.425   0.005   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.339   0.825   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -4.092   1.161   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.624   1.238   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.910   0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.195   1.238   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.195   2.062   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.910   2.475   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.624   2.062   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -3.339   2.475   0.000  1.00  0.00          Cl  
HETATM   13  N   UNL     1      -0.481   0.825   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.234   1.238   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.567  -0.921   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.948   0.825   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       0.234   2.062   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       0.948   0.000   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.663  -0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.377   0.000   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.377   0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.663   1.238   0.000  1.00  0.00           C  
HETATM   23 CL   UNL     1       1.663   2.062   0.000  1.00  0.00          Cl  
HETATM   24  N   UNL     1       3.092  -0.412   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       3.092  -1.238   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.806  -1.650   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       4.520  -1.238   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       4.520  -0.412   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.806   0.000   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.235  -1.650   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.235   0.000   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.806  -2.475   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.235  -1.406   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.481  -1.741   0.000  1.00  0.00           C  
CONECT    1    2    3   15                                            
CONECT    2    1    5                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    2                                                 
CONECT    6    4    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    6   12                                            
CONECT   12   11                                                      
CONECT   13    8   14                                                 
CONECT   14   13   16   17                                            
CONECT   15    1   33   34                                            
CONECT   16   14   18   22                                            
CONECT   17   14                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   16   23                                            
CONECT   23   22                                                      
CONECT   24   20   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   32                                            
CONECT   27   26   28   30                                            
CONECT   28   27   29   31                                            
CONECT   29   28   24                                                 
CONECT   30   27                                                      
CONECT   31   28                                                      
CONECT   32   26                                                      
CONECT   33   15   34                                                 
CONECT   34   33   15                                                 
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0DH7R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.300  -0.296   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.888  -1.010   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.062  -1.010   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.650  -0.296   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.062   0.419   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.888   0.419   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.825  -0.296   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.412   0.419   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.412  -1.010   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.412  -1.010   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.825  -1.725   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.650  -1.725   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.062  -1.010   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.650  -0.296   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.825  -0.296   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.888  -1.010   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.300  -1.725   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       3.300  -0.296   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       2.888   0.419   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       0.408   0.505   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1       0.580   1.312   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.135   1.725   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.748   1.173   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.333   1.648   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   20   23                                            
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18                                                      
CONECT   20    8   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22    8                                                 
CONECT   24   21                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0DI1R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.655   0.866   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.655   0.041   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.370  -0.371   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.084   0.041   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.084   0.866   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.370   1.279   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.869  -0.214   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       3.354   0.454   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       2.869   1.121   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -0.059  -0.371   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.774   0.041   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.488  -0.371   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.774   0.866   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1      -2.242  -0.036   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.794  -0.649   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.381  -1.363   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.575  -1.192   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.619  -0.649   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.032  -1.363   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.619  -2.078   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.794  -2.078   0.000  1.00  0.00           C  
HETATM   22  F   UNL     1      -4.032  -2.792   0.000  1.00  0.00           F  
HETATM   23  C   UNL     1      -2.413   0.771   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.138   1.534   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.354   1.789   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.210   0.985   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.424   1.782   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.221   1.995   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.804   1.412   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.591   0.615   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.794   0.402   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1      -4.434   2.792   0.000  1.00  0.00           F  
HETATM   33  C   UNL     1       4.137   0.709   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       4.804   0.224   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   33                                            
CONECT    9    8    5   25                                            
CONECT   10    2   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11   14   17                                            
CONECT   13   11                                                      
CONECT   14   12   15   23                                            
CONECT   15   14   16   18                                            
CONECT   16   15   17   21                                            
CONECT   17   16   12                                                 
CONECT   18   15   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   16                                                 
CONECT   22   20                                                      
CONECT   23   14   26                                                 
CONECT   24   25   33                                                 
CONECT   25   24    9                                                 
CONECT   26   23   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29   32                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   28                                                      
CONECT   33    8   24   34                                            
CONECT   34   33                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0DI5S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.716   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.716  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.001  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.287  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.287   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.001   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.430  -1.031   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.572  -1.031   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.858  -0.619   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.143  -1.031   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -2.858   0.206   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.429  -0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.714  -1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.000  -0.619   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.000   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.714   0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.429   0.206   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.714   0.619   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.429   0.206   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.429  -0.619   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.143  -1.031   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.858  -0.619   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.858   0.206   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.143   0.619   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.143  -1.856   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       3.572   0.619   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       4.287   0.206   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.001   0.619   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       5.001   1.444   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       4.287   1.856   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.572   1.444   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.716   1.856   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       6.430   1.444   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       6.430   0.619   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    4    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   12                                                 
CONECT   11    9                                                      
CONECT   12   10   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   19                                                 
CONECT   25   21                                                      
CONECT   26   23   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   29   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0DI9S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.357   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.357  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.357  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.072  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.072   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.357   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.786  -0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.501  -0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.215  -0.825   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       3.930  -0.412   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1       4.644  -0.825   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       3.215  -1.650   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.072   0.825   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.786   0.412   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.501   0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.215   0.412   0.000  1.00  0.00           C  
HETATM   17  H   UNL     1      -1.072  -0.825   0.000  1.00  0.00           H  
HETATM   18  C   UNL     1      -3.215   1.238   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.930   1.650   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.644   1.238   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.644   0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.930   0.000   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.353  -0.673   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.388  -0.116   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.887  -0.811   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.405   0.741   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.788  -0.412   0.000  1.00  0.00           C  
CONECT    1    2    6   13                                            
CONECT    2    1    3   17                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11                                                 
CONECT   11   10                                                      
CONECT   12    9                                                      
CONECT   13    1   14                                                 
CONECT   14   13   15   27                                            
CONECT   15   14   16                                                 
CONECT   16   15   18   22   25                                       
CONECT   17    2                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20   26                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   16                                                 
CONECT   23   21   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   16                                                 
CONECT   26   19   24                                                 
CONECT   27   14                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0DK0R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.489  -1.015   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.490  -0.193   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.779   0.220   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.780   1.042   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.069   1.454   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1      -2.493   1.452   0.000  1.00  0.00           O  
HETATM    7  N   UNL     1      -0.356   1.044   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.355   1.456   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       0.053   2.221   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.769   2.220   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.068   1.047   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.069   0.225   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.782  -0.185   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       2.493   0.227   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       2.492   1.049   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.779   1.459   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.783  -1.008   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.059  -1.420   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.776  -1.425   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.561  -2.221   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.736  -2.220   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.524  -1.422   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.190  -1.009   0.000  1.00  0.00           C  
CONECT    1    2   19                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    7   10                                            
CONECT    6    4                                                      
CONECT    7    5    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    8   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   13   18                                                 
CONECT   18   17   23                                                 
CONECT   19    1   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0DK3R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.593   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.878   2.062   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.164   1.650   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.449   2.062   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.735   1.650   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.020   2.062   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       0.694   1.650   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.409   2.062   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       2.123   1.650   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       2.837   2.062   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.552   1.650   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.346   1.986   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.899   1.373   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.486   0.658   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1      -3.679   0.830   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -5.695   1.586   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.878   2.888   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.449   2.888   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.164   3.300   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.735   3.300   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.735   0.825   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       0.694   0.825   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.409   2.888   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       3.552   0.825   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.266   0.412   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.981   0.825   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.981   1.650   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.266   2.062   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.695   0.412   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.409   0.412   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.409  -0.412   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.123  -0.825   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       2.123  -1.650   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1       2.837  -2.062   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.552  -1.650   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.266  -2.062   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.552  -0.825   0.000  1.00  0.00           C  
HETATM   38  N   UNL     1       3.552   0.000   0.000  1.00  0.00           N  
HETATM   39  O   UNL     1       2.837  -2.888   0.000  1.00  0.00           O  
HETATM   40  C   UNL     1       4.266  -2.888   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       3.552  -3.300   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       4.981  -3.300   0.000  1.00  0.00           C  
CONECT    1    2   12   15                                            
CONECT    2    1    3   17                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   18                                            
CONECT    5    4    6   21                                            
CONECT    6    5    7                                                 
CONECT    7    6    8   22                                            
CONECT    8    7    9   23                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   24   28                                            
CONECT   12    1   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14    1                                                 
CONECT   16   13                                                      
CONECT   17    2                                                      
CONECT   18    4   19   20                                            
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21    5                                                      
CONECT   22    7   30                                                 
CONECT   23    8                                                      
CONECT   24   11   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   11                                                 
CONECT   29   26                                                      
CONECT   30   22   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   39                                            
CONECT   35   34   36   37                                            
CONECT   36   35   40                                                 
CONECT   37   35   38                                                 
CONECT   38   37                                                      
CONECT   39   34                                                      
CONECT   40   36   41   42                                            
CONECT   41   40                                                      
CONECT   42   40                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D0DK4I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.357   0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.357   0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.072   0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.786   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.786   1.444   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.501   1.856   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.215   1.444   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.215   0.619   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.786  -0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.501  -1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.215  -0.619   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.215   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.501   0.619   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.501  -1.856   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       3.930  -1.031   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1      -3.930   0.206   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1      -3.930   1.856   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.357   1.444   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.357  -0.619   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   21                                            
CONECT    3    2    4   22                                            
CONECT    4    3    5                                                 
CONECT    5    4   12   16                                            
CONECT    6    1    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   20                                            
CONECT   10    9   11   19                                            
CONECT   11   10    6                                                 
CONECT   12    5   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15    5                                                 
CONECT   17   13                                                      
CONECT   18   14                                                      
CONECT   19   10                                                      
CONECT   20    9                                                      
CONECT   21    2                                                      
CONECT   22    3                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0DL1O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.189  -0.581   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.364  -0.581   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.951   0.133   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.364   0.848   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.189   0.848   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.601   0.133   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.126   0.133   0.000  1.00  0.00           C  
HETATM    8  F   UNL     1      -4.426   0.133   0.000  1.00  0.00           F  
HETATM    9  N   UNL     1      -0.543  -0.450   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.192  -0.076   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.063   0.739   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.752   0.868   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.962  -0.371   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.603   0.148   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.474   0.963   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.704   1.258   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.374  -0.148   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.503  -0.963   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       3.273  -1.258   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       3.914  -0.739   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.785   0.076   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.015   0.371   0.000  1.00  0.00           C  
HETATM   23  H   UNL     1       2.886   1.186   0.000  1.00  0.00           H  
HETATM   24 CL   UNL     1       4.426   0.595   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    3    9   12                                            
CONECT    8    6                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12   16                                            
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   14   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   17   23                                            
CONECT   23   22                                                      
CONECT   24   21                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0DL3R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.868  -1.321   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.868  -2.146   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.154  -2.559   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.439  -2.146   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.439  -1.321   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.154  -0.909   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.725  -0.909   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.010  -1.321   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.296  -0.909   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.296  -0.084   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.010   0.329   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.725  -0.084   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.419   0.329   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.133  -0.084   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.419   1.154   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.296   1.566   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.133   1.566   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.419   1.979   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.848   1.154   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       1.133   2.391   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.562   1.566   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.316   1.231   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.868   1.844   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.455   2.559   0.000  1.00  0.00           C  
HETATM   25  S   UNL     1       2.649   2.387   0.000  1.00  0.00           S  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   16   17   18                                       
CONECT   16   15                                                      
CONECT   17   15   19   20                                            
CONECT   18   15                                                      
CONECT   19   17   21                                                 
CONECT   20   17                                                      
CONECT   21   19   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0DL5J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.714  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.000   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.714   0.825   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.143   0.825   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1      -2.143  -0.825   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       0.714   0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.143   0.825   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    2                                                      
CONECT    9    5   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10                                                      
MASTER        0    0    0    0    0    0    0    0   11    0   11    0
END
M  END

$$$$
D0DL7P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.752   0.226   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.017   0.601   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.433   0.017   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.614   0.110   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.175   0.808   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.447   1.587   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.226   1.859   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.924   1.421   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.228  -0.620   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.596  -0.620   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.035   0.110   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.650   0.808   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.640  -1.334   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.228  -2.048   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.596  -2.048   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.009  -1.334   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       0.136   2.170   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.834  -1.334   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.444   0.676   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.179   0.301   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -4.222  -0.523   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.530  -0.972   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.795  -0.598   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.246  -2.048   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.071  -2.048   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.484  -1.334   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       3.071  -0.619   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       2.246  -0.619   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.574  -1.796   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -4.309  -2.170   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       4.309  -1.334   0.000  1.00  0.00           F  
CONECT    1    2   19   23                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6   12                                            
CONECT    6    5    7   17                                            
CONECT    7    6    8                                                 
CONECT    8    7    2                                                 
CONECT    9    4   10   13                                            
CONECT   10    9   11   16                                            
CONECT   11   10   12                                                 
CONECT   12   11    5                                                 
CONECT   13    9   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   10   18                                            
CONECT   17    6                                                      
CONECT   18   16   24   28                                            
CONECT   19    1   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   29                                            
CONECT   23   22    1                                                 
CONECT   24   18   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   18                                                 
CONECT   29   22   30                                                 
CONECT   30   29                                                      
CONECT   31   26                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0DM2G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.727   1.532   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.452   0.754   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.373   0.775   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.608   1.566   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.071   2.034   0.000  1.00  0.00           N  
HETATM    6  O   UNL     1      -1.517   1.767   0.000  1.00  0.00           O  
HETATM    7  O   UNL     1       1.386   1.840   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.920   0.075   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.874   0.120   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.744   0.044   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.970  -0.750   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.284  -1.209   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.636  -0.700   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.640  -0.671   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       1.320  -1.139   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.974  -0.671   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.699   0.120   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.319   0.636   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.119   0.434   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.344  -0.360   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.770  -0.952   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.797  -0.828   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.344  -0.194   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.069   0.597   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.246   0.754   0.000  1.00  0.00           C  
HETATM   26 XX   UNL     1      -1.253  -2.034   0.000  1.00  0.00          Xx  
HETATM   27 XX   UNL     1       1.327  -1.963   0.000  1.00  0.00          Xx  
CONECT    1    2    5    6                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5    7                                            
CONECT    5    4    1                                                 
CONECT    6    1                                                      
CONECT    7    4                                                      
CONECT    8    2   10   13                                            
CONECT    9    3   14   17                                            
CONECT   10    8   11   18                                            
CONECT   11   10   12   21                                            
CONECT   12   11   13   26                                            
CONECT   13   12    8                                                 
CONECT   14    9   15                                                 
CONECT   15   14   16   27                                            
CONECT   16   15   17   22                                            
CONECT   17   16    9   25                                            
CONECT   18   10   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   11                                                 
CONECT   22   16   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   17                                                 
CONECT   26   12                                                      
CONECT   27   15                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0DM9L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.551   0.240   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.551  -0.585   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.837  -0.997   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.122  -0.585   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.122   0.240   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.837   0.653   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.408   0.653   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.306   0.240   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -0.408   1.478   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.021   0.653   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.736   0.240   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.450   0.653   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.450   1.478   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.736   1.890   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.021   1.478   0.000  1.00  0.00           C  
HETATM   16 CL   UNL     1       3.164   1.890   0.000  1.00  0.00          Cl  
HETATM   17  O   UNL     1       3.164   0.240   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1      -3.164  -1.137   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1      -2.829  -1.890   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.008  -1.804   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4   20                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13                                                      
CONECT   17   12                                                      
CONECT   18    2   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19    3                                                 
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0DN3Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.263   2.466   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.263   1.641   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.047   1.386   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.532   2.054   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.047   2.721   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.452   2.879   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.166   2.466   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.166   1.641   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.452   1.229   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.302   0.602   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.881   1.229   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.635   1.564   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.187   0.951   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.774   0.237   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.967   0.408   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.354  -0.144   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.766  -0.858   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.354  -1.573   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.529  -1.573   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.117  -0.858   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.529  -0.144   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.591  -0.858   0.000  1.00  0.00           O  
HETATM   23  F   UNL     1       0.709  -0.858   0.000  1.00  0.00           F  
HETATM   24  C   UNL     1      -3.004  -1.573   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.109   0.430   0.000  1.00  0.00           N  
HETATM   26  O   UNL     1       0.750  -0.012   0.000  1.00  0.00           O  
HETATM   27  S   UNL     1       2.364  -0.355   0.000  1.00  0.00           S  
HETATM   28  O   UNL     1       1.812  -0.968   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       3.171  -0.526   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       2.578  -1.151   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       3.426  -1.311   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.723   0.087   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.996  -0.526   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.825  -1.659   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1      -3.996  -2.466   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1      -3.281  -2.879   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.668  -2.326   0.000  1.00  0.00           C  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   10                                            
CONECT    4    3    5                                                 
CONECT    5    4    1                                                 
CONECT    6    1    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8    2                                                 
CONECT   10    3   25   26                                            
CONECT   11    8   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   11   16                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   16                                                 
CONECT   22   17   24                                                 
CONECT   23   20                                                      
CONECT   24   22   34   37                                            
CONECT   25   10   27                                                 
CONECT   26   10                                                      
CONECT   27   25   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27   31   32   33                                       
CONECT   30   27                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
CONECT   33   29                                                      
CONECT   34   24   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   24                                                 
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END

$$$$

$$$$
D0DN8Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.359  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.359  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.644  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.930  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.930  -0.825   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.644  -0.412   0.000  1.00  0.00           N  
HETATM    7 CL   UNL     1      -6.073  -2.062   0.000  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -3.215  -0.412   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.501  -0.825   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.786  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.072  -0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.357  -0.412   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.357   0.412   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.072   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.786   0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.357   0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.072   0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.786   0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.786   1.650   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.072   2.062   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.357   1.650   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.501   2.062   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1      -1.072   1.650   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       3.215   1.650   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.930   2.062   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       4.644   1.650   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       5.359   2.062   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       6.073   1.650   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.644   0.825   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.359   0.412   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   23                                            
CONECT   15   14   10                                                 
CONECT   16   13   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   19   24                                                 
CONECT   23   14                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27                                                      
CONECT   29   26   30                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0DO1U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.720  -1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.720  -0.206   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.006  -1.444   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.291  -1.031   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.291  -0.206   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.006   0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.006   1.031   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.291   1.444   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.577   1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.862   1.444   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.862   2.269   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.577   2.681   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.291   2.269   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.078   1.189   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.407   1.856   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1      -0.078   2.524   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.577  -1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.577  -2.269   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.862  -2.681   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.148  -2.269   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.148  -1.444   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.862  -1.031   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       0.567  -1.031   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       1.281  -1.444   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.995  -1.031   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       2.710  -1.444   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.435   0.206   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.435  -1.444   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.424  -1.031   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.221  -1.245   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.435  -0.448   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.638  -0.234   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       1.995  -0.206   0.000  1.00  0.00           O  
CONECT    1    2    3   28                                            
CONECT    2    1    6   27                                            
CONECT    3    1    4                                                 
CONECT    4    3    5   17                                            
CONECT    5    4    6                                                 
CONECT    6    5    2    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    4   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   17                                                 
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   33                                            
CONECT   26   25   29                                                 
CONECT   27    2                                                      
CONECT   28    1                                                      
CONECT   29   26   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   29                                                 
CONECT   33   25                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0DO4I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.052   2.171   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.052   1.345   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.732   1.091   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.217   1.758   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.732   2.425   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.767   2.583   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.481   2.171   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.481   1.345   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.767   0.933   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -2.196   0.933   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.949   1.268   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.501   0.655   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.089  -0.059   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.282   0.113   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.669  -0.440   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.081  -1.154   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.669  -1.869   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.844  -1.869   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.431  -1.154   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.844  -0.440   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1      -0.431   0.275   0.000  1.00  0.00           F  
HETATM   22  F   UNL     1      -2.081  -2.583   0.000  1.00  0.00           F  
HETATM   23  N   UNL     1       0.987   0.306   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.794   0.134   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       2.346   0.748   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1       2.049  -0.650   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       1.564  -1.318   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.049  -1.985   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.834  -1.730   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.834  -0.905   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       3.501  -2.215   0.000  1.00  0.00           O  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   23                                            
CONECT    4    3    5                                                 
CONECT    5    4    1                                                 
CONECT    6    1    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10   15                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
CONECT   22   17                                                      
CONECT   23    3   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29   26                                                 
CONECT   31   29                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0DO4J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.200  -0.328   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.375  -0.333   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.037   0.382   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.863   0.382   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.117   1.166   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.450   1.651   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.217   1.166   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.275  -0.333   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.100  -0.333   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.513  -1.047   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.513   0.382   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       2.100  -1.762   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.513  -2.476   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.337  -2.476   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.750  -1.762   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.337  -1.047   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.684   0.340   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.469   0.085   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.469  -0.740   0.000  1.00  0.00           C  
HETATM   20  S   UNL     1      -1.684  -0.995   0.000  1.00  0.00           S  
HETATM   21  C   UNL     1      -3.184   0.498   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.898   0.085   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.898  -0.740   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.184  -1.152   0.000  1.00  0.00           C  
HETATM   25 CL   UNL     1      -4.613  -1.152   0.000  1.00  0.00          Cl  
HETATM   26  O   UNL     1       0.450   2.476   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1       2.042  -1.554   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       2.756  -1.966   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       3.898  -0.481   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       4.613  -0.894   0.000  1.00  0.00           C  
CONECT    1    2   17   20                                            
CONECT    2    1    3                                                 
CONECT    3    4    7    2                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7   26                                            
CONECT    7    6    3                                                 
CONECT    8    9    4                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   12   16                                            
CONECT   11    9                                                      
CONECT   12   10   13   27                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   10   29                                            
CONECT   17    1   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20   24                                            
CONECT   20   19    1                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   19                                                 
CONECT   25   23                                                      
CONECT   26    6                                                      
CONECT   27   12   28                                                 
CONECT   28   27                                                      
CONECT   29   16   30                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0DO6K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.192   1.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.192   1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.907   0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.621   1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.621   1.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.907   2.269   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.907  -0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.192  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.192  -1.444   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.907  -1.856   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.621  -1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.621  -0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.192  -2.269   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.478  -1.856   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       1.192  -3.094   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       2.621  -2.269   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.336  -1.856   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.478   0.619   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.236   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.951   0.619   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.236   1.856   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.705   0.954   0.000  1.00  0.00           C  
HETATM   23  S   UNL     1      -2.257   0.341   0.000  1.00  0.00           S  
HETATM   24  C   UNL     1      -1.844  -0.373   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.037  -0.202   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.180  -1.127   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       1.907   3.094   0.000  1.00  0.00           N  
HETATM   28  F   UNL     1       3.336   0.619   0.000  1.00  0.00           F  
HETATM   29  C   UNL     1      -3.000  -1.213   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.336  -1.967   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.851  -2.634   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1      -2.030  -2.548   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1      -1.695  -1.794   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5   28                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   27                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13   16                                       
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   10   17                                                 
CONECT   17   16                                                      
CONECT   18    2   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   22   25                                            
CONECT   21   19                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   20                                                 
CONECT   26   24   29   33                                            
CONECT   27    6                                                      
CONECT   28    4                                                      
CONECT   29   26   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   26                                                 
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END

$$$$

$$$$

$$$$
D0DP6U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.617  -0.957   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.617  -1.780   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.905  -2.191   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.193  -1.780   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.193  -0.957   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.905  -0.546   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.589  -2.034   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1       1.072  -1.369   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.589  -0.703   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.905   0.276   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.617   0.687   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.843   0.079   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.625   0.333   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.625   1.155   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.843   1.409   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1       0.360   0.744   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.589   2.191   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.290   1.638   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.041   1.304   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.617   1.509   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.329   1.920   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.041   1.509   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.041   0.687   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.329   0.276   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   12                                            
CONECT   10    6   11                                                 
CONECT   11   10   20   24                                            
CONECT   12   13   16    9                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16   17                                            
CONECT   16   15   12                                                 
CONECT   17   15                                                      
CONECT   18   14   19                                                 
CONECT   19   18                                                      
CONECT   20   11   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   11                                                 
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0DP8E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143  -0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.572  -0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.572   0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.287   0.825   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.001   0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.001  -0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.287  -0.825   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.715  -0.412   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.715   0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.000   0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.000   1.650   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.715   2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.429   1.650   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.429   0.825   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1       0.715   0.412   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       1.429   0.825   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.429   1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.715   2.062   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.143   0.412   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       2.858   0.825   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       3.572   0.412   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.287   0.825   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       5.001   0.412   0.000  1.00  0.00           O  
CONECT    1    2    6    8                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   14                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    1    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    5   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18   24                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   16   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   17                                                 
CONECT   25   22   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0DQ5G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.201   2.174   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.201   1.349   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.487   0.937   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.772   1.349   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.772   2.174   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.487   2.587   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1      -0.058   0.937   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.656   1.349   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.371   0.937   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.085   1.349   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.800   0.937   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.514   1.349   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.514   2.174   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.800   2.587   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.085   2.174   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.656   2.174   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.916   0.937   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.916   0.112   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.630   1.349   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.583  -0.373   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.328  -1.158   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.503  -1.158   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.248  -0.373   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.390  -0.202   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.942  -0.815   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.687  -1.599   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.880  -1.771   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.091  -1.872   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.266  -1.872   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.503  -2.587   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.678  -2.587   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.091  -3.301   0.000  1.00  0.00           O  
HETATM   33  F   UNL     1      -3.626  -2.555   0.000  1.00  0.00           F  
HETATM   34  C   UNL     1       4.228   2.587   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1       3.815   3.301   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1       4.942   2.999   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1       4.640   1.872   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   17                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   16                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   34                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    8                                                      
CONECT   17    2   18   19                                            
CONECT   18   17   20   23                                            
CONECT   19   17                                                      
CONECT   20   18   21   24                                            
CONECT   21   20   22   27                                            
CONECT   22   21   23   28                                            
CONECT   23   22   18                                                 
CONECT   24   20   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   21   33                                            
CONECT   28   22   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28   32                                                 
CONECT   31   28                                                      
CONECT   32   30                                                      
CONECT   33   27                                                      
CONECT   34   13   35   36   37                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END

$$$$

$$$$

$$$$
D0DQ6C
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.742   0.873   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.742   0.048   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.028  -0.365   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.314   0.048   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.314   0.873   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.028   1.285   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.527   1.128   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.012   0.460   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.527  -0.207   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.782   1.912   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.401  -0.365   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.487  -1.185   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.294  -1.357   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.707  -0.642   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1       1.155  -0.029   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1       1.630  -2.110   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.527  -0.556   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       2.863   0.198   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       3.012  -1.223   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.028   2.110   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.203   2.110   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   11                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   20                                            
CONECT    7    1    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    7                                                      
CONECT   11    4   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   17                                            
CONECT   15   14   11                                                 
CONECT   16   13                                                      
CONECT   17   14   18   19                                            
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20    6   21                                                 
CONECT   21   20                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0DQ6N
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.533  -0.286   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.533  -1.111   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.819  -1.524   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.104  -1.111   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.104  -0.286   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.819   0.126   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.320  -1.366   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.835  -0.699   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.320  -0.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.065   0.753   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.258   0.925   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1      -1.617   1.366   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.003   1.709   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.804   1.881   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.356   1.268   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.163   1.439   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.418   2.224   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.866   2.837   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.059   2.666   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       0.507   3.279   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       3.225   2.396   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       1.101   0.483   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.065  -2.151   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.010  -0.699   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.258  -2.322   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.617  -2.764   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.003  -3.107   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.804  -3.279   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       1.356  -2.666   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       1.101  -1.881   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.294  -1.709   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.153  -2.879   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.736  -2.296   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1       3.533  -2.509   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1       2.523  -1.499   0.000  1.00  0.00           F  
HETATM   36  C   UNL     1       0.387   0.071   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1       3.320  -1.712   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   23                                            
CONECT    8    7    9   24                                            
CONECT    9    8    5   10                                            
CONECT   10    9   11   12                                            
CONECT   11   10   13                                                 
CONECT   12   10                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16   22                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   14   20                                            
CONECT   20   19                                                      
CONECT   21   17                                                      
CONECT   22   15   36                                                 
CONECT   23    7   25   26                                            
CONECT   24    8                                                      
CONECT   25   23   27   31                                            
CONECT   26   23                                                      
CONECT   27   25   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   25                                                 
CONECT   32   29   33                                                 
CONECT   33   32   34   35   37                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   22                                                      
CONECT   37   33                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0DR0S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.787  -1.447   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.787  -0.622   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.073  -1.861   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.358  -1.447   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.358  -0.622   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.073  -0.208   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.073   0.617   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.359   1.030   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.359   1.855   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.073   2.267   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.788   1.855   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.788   1.030   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       0.357  -1.859   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.071  -1.446   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.786  -1.858   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.787  -2.683   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.501  -3.095   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.216  -2.683   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.216  -1.858   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.501  -1.446   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.501  -0.209   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.216  -0.622   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.216  -1.447   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.501  -1.859   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.074   3.095   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.899   3.095   0.000  1.00  0.00           N  
CONECT    1    2    3   24                                            
CONECT    2    1    6   21                                            
CONECT    3    1    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    6                                                 
CONECT    6    5    2    7                                            
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   25                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    4   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21    2   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23    1                                                 
CONECT   25   10   26                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0DS9D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.424   0.000   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.424  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.710  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.995  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.995   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.710   0.412   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.281  -1.238   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.567  -0.825   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.148  -1.238   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.862  -0.825   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.862   0.000   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.148   0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.567   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.139   0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.577   0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.352   1.209   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.149   0.996   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.936   0.199   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.577  -1.238   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       2.291  -0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.291   0.000   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.006   0.412   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       3.720   0.000   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       3.720  -0.825   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.435  -1.238   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       5.149  -0.825   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       5.149   0.000   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.435   0.412   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       3.006   1.238   0.000  1.00  0.00           O  
CONECT    1    2    6   14                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   19                                            
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    1   16   18                                            
CONECT   15   11   21                                                 
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   14                                                 
CONECT   19   10   20                                                 
CONECT   20   19                                                      
CONECT   21   15   22                                                 
CONECT   22   21   23   29                                            
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   22                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0DT0E
  -OEChem-09301911232D

 54 57  0     0  0  0  0  0  0999 V2000
    3.4317   -1.3556    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5087   -2.9434    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9728   -2.9434    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9218    1.3180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896    4.2742    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6507    2.3690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4108    2.6478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2198    2.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3230    0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0497   -1.3556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1529    0.4045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4918    3.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7486    2.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2839    4.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4428    3.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976    3.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3328    4.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6018    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9108    1.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9108    1.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4108    3.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3285    0.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7407   -0.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7407   -0.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2407   -1.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2407   -2.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3747   -3.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1067   -3.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3747   -4.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1067   -4.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2407   -4.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6207    3.0498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4576    2.4396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2372    2.6054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9035    4.6560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3701    5.2483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    3.3688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5291    3.9612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1779    3.2745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7113    2.6821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6239    5.4908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8442    5.3251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.4658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1900    1.9542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2752    0.6074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0308    3.6478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4108    4.2678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7908    3.6478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5752   -0.2664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5363    0.3397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4051    0.9709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8378   -4.7534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6437   -4.7534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2407   -5.5634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4 22  2  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 43  1  0  0  0  0
  6 15  1  0  0  0  0
  6 18  1  0  0  0  0
  6 44  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  7 21  1  0  0  0  0
  8 20  2  0  0  0  0
  9 19  1  0  0  0  0
  9 22  1  0  0  0  0
  9 49  1  0  0  0  0
 10 23  1  0  0  0  0
 10 25  2  0  0  0  0
 11 24  1  0  0  0  0
 11 50  1  0  0  0  0
 11 51  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 32  1  0  0  0  0
 13 16  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 17  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 45  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 29 52  1  0  0  0  0
 30 31  1  0  0  0  0
 30 53  1  0  0  0  0
 31 54  1  0  0  0  0
M  END

$$$$
D0DT5I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.537  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.537  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.822  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.108  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.108  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.822  -0.412   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.607  -2.062   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.321  -1.650   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.321  -0.825   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.607  -0.412   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.607   0.412   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.321   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.035   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.750   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.750   1.650   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.035   2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.321   1.650   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.464   2.062   0.000  1.00  0.00           C  
HETATM   19  S   UNL     1      -0.994   0.395   0.000  1.00  0.00           S  
HETATM   20  C   UNL     1      -1.814   0.481   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.150  -0.273   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.227   1.195   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.814   1.910   0.000  1.00  0.00           N  
HETATM   24  O   UNL     1      -3.052   1.195   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.464   0.481   0.000  1.00  0.00           C  
CONECT    1    2    6   21                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   19                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15                                                      
CONECT   19    6   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20    1                                                 
CONECT   22   20   23   24                                            
CONECT   23   22                                                      
CONECT   24   22   25                                                 
CONECT   25   24                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0DT7M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -0.468   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215  -0.055   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -0.055   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.786   0.770   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501   1.182   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215   0.770   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.072  -0.468   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.357  -0.055   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.357   0.770   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1       0.357  -0.468   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.072  -0.055   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.786  -0.468   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.786  -1.293   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.501  -1.705   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.215  -1.293   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.215  -0.468   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.501  -0.055   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.501   0.770   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       3.930  -1.705   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1       4.644  -2.118   0.000  1.00  0.00           F  
HETATM   21  F   UNL     1       4.342  -0.991   0.000  1.00  0.00           F  
HETATM   22  F   UNL     1       3.517  -2.420   0.000  1.00  0.00           F  
HETATM   23  N   UNL     1      -3.930  -0.468   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.930  -1.293   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.215  -1.705   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.501  -1.293   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.644  -1.705   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       3.215   1.182   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.215   2.007   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.501   2.420   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.786   2.007   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.786   1.182   0.000  1.00  0.00           C  
CONECT    1    2    3   26                                            
CONECT    2    1    6   23                                            
CONECT    3    1    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    2                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   18                                            
CONECT   18   17   28   32                                            
CONECT   19   15   20   21   22                                       
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   19                                                      
CONECT   23    2   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25    1                                                 
CONECT   27   24                                                      
CONECT   28   18   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   18                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0DV4H
  -OEChem-09301911232D

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   10.3875    3.0171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.0171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2593    1.5204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    0.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7991    0.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290   -1.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5273    1.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1234    2.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7953    1.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3914    2.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6594    2.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9914    1.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2632    0.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9952    0.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8555    2.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8632    0.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7234    1.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7273    0.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0218    1.1376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708   -1.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0218   -2.1717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5201    2.5002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7231    2.4972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2571    1.8150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6694   -0.6096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.1029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6570    2.6304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693    0.2058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6432    0.5180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2656   -0.0996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8832    0.5228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4595    0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8531    2.6504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -2.8271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8656   -0.5895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2591    1.8458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2654    0.2259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 51  1  0  0  0  0
  2 18  2  0  0  0  0
  3 27  2  0  0  0  0
  4 13  1  0  0  0  0
  4 18  1  0  0  0  0
  4 24  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 17  1  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  8 16  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  2  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 22  2  0  0  0  0
 14 27  1  0  0  0  0
 15 19  1  0  0  0  0
 15 36  1  0  0  0  0
 16 20  2  0  0  0  0
 16 37  1  0  0  0  0
 17 23  2  0  0  0  0
 17 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 25  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 28  1  0  0  0  0
 25 45  1  0  0  0  0
 26 29  2  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
 28 30  2  0  0  0  0
 28 48  1  0  0  0  0
 29 30  1  0  0  0  0
 29 49  1  0  0  0  0
 30 50  1  0  0  0  0
M  END

$$$$
D0DV4X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572   1.237   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.857   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143   1.237   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.857   1.650   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.857   2.474   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.429   1.650   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.429   0.000   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.429  -0.825   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.143  -1.237   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.143  -2.062   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.429  -2.474   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.715  -2.062   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.715  -1.237   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.000  -2.474   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.714  -2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.714  -1.237   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.000  -0.825   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       1.428  -0.825   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1       1.428  -2.474   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       2.143  -1.237   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.143  -2.062   0.000  1.00  0.00           C  
HETATM   24  F   UNL     1      -4.286  -0.000   0.000  1.00  0.00           F  
HETATM   25  C   UNL     1       2.857  -2.474   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       3.572  -2.062   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       4.286  -2.474   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   24                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    5                                                      
CONECT    9    4   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   10   19                                            
CONECT   16   14   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19   20                                            
CONECT   19   18   15                                                 
CONECT   20   18   22                                                 
CONECT   21   17   23                                                 
CONECT   22   20                                                      
CONECT   23   21   25                                                 
CONECT   24    2                                                      
CONECT   25   23   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0DW1D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.909   0.705   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.121  -0.092   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.536  -0.674   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.740  -0.458   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.528   0.339   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.113   0.921   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.206   0.716   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.075   1.530   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1      -0.741   1.657   0.000  1.00  0.00           S  
HETATM   10  O   UNL     1       0.656   2.115   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.942   0.343   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.655   0.757   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       2.370   0.345   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.308  -0.478   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.913  -1.039   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.729  -0.916   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.141  -0.202   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.840   0.567   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.051   0.810   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.917  -0.308   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.131  -1.105   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.928  -1.318   0.000  1.00  0.00           C  
HETATM   23  F   UNL     1      -4.141  -2.115   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   20                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1    9                                            
CONECT    7    5    8   11                                            
CONECT    8    7    9   10                                            
CONECT    9    8    6                                                 
CONECT   10    8                                                      
CONECT   11    7   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   19                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   13                                                 
CONECT   20    2   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0DW3Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786   0.468   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786  -0.357   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072  -0.770   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357  -0.357   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357   0.468   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072   0.880   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -1.484   1.595   0.000  1.00  0.00           F  
HETATM    8  F   UNL     1      -0.659   1.595   0.000  1.00  0.00           F  
HETATM    9  C   UNL     1      -2.501   0.880   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.072  -1.595   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1       0.357   0.880   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -2.501  -0.770   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1       0.357  -0.770   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.072   0.468   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.072  -0.357   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.786  -0.770   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.501  -0.357   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.501   0.468   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.786   0.880   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       3.215  -0.770   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.215   0.468   0.000  1.00  0.00           O  
CONECT    1    2    6    9                                            
CONECT    2    1    3   12                                            
CONECT    3    2    4   10                                            
CONECT    4    3    5   13                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1    7    8                                       
CONECT    7    6                                                      
CONECT    8    6                                                      
CONECT    9    1   21                                                 
CONECT   10    3                                                      
CONECT   11    5   14                                                 
CONECT   12    2                                                      
CONECT   13    4                                                      
CONECT   14   11   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17                                                      
CONECT   21    9                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0DW4P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.713  -0.622   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.713  -1.447   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.998  -1.859   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.284  -1.447   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.284  -0.622   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.998  -0.209   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.499  -1.702   0.000  1.00  0.00           O  
HETATM    8  N   UNL     1      -0.014  -1.034   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.499  -0.367   0.000  1.00  0.00           C  
HETATM   10 CL   UNL     1      -3.427  -0.209   0.000  1.00  0.00          Cl  
HETATM   11  C   UNL     1      -1.998   0.616   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.427  -1.859   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.285   0.430   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.539   0.430   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.952   1.145   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.777   1.145   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.123  -0.153   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.189   0.430   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.014   0.430   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.427   1.145   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.014   1.859   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.189   1.859   0.000  1.00  0.00           C  
CONECT    1    2    6   10                                            
CONECT    2    1    3   12                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   13                                            
CONECT   10    1                                                      
CONECT   11    6                                                      
CONECT   12    2                                                      
CONECT   13    9   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   18   22                                            
CONECT   17   14                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   16                                                 
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0DW5P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.614  -0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.614  -1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.899  -1.856   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.185  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.185  -0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.899  -0.206   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.470  -1.856   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.756  -1.444   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.756  -0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.470  -0.206   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.470   0.619   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -0.041  -1.856   0.000  1.00  0.00           O  
HETATM   13  N   UNL     1      -0.041  -0.206   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.673  -0.619   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.388  -0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.102  -0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.817  -0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.817   0.619   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.102   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.388   0.619   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       0.673   1.031   0.000  1.00  0.00           O  
HETATM   22 BR   UNL     1       2.102   1.856   0.000  1.00  0.00          Br  
HETATM   23  H   UNL     1       3.614   0.832   0.000  1.00  0.00           H  
HETATM   24 BR   UNL     1       3.531  -0.619   0.000  1.00  0.00          Br  
HETATM   25  H   UNL     1       2.102  -1.444   0.000  1.00  0.00           H  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10   13                                            
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    8                                                      
CONECT   13    9   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17   25                                            
CONECT   17   16   18   24                                            
CONECT   18   17   19   23                                            
CONECT   19   18   20   22                                            
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
CONECT   22   19                                                      
CONECT   23   18                                                      
CONECT   24   17                                                      
CONECT   25   16                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0DW6V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.215  -0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.215  -1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.500  -1.856   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.786  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.786  -0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.500  -0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.071  -0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.357  -0.619   0.000  1.00  0.00           C  
HETATM    9  F   UNL     1      -4.929  -1.856   0.000  1.00  0.00           F  
HETATM   10  N   UNL     1      -0.643  -0.206   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -2.071   0.619   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.072  -0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.786  -0.206   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.786   0.619   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.072   1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.643   0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.501   1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.215   0.619   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.501   1.856   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       2.302  -0.202   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.108  -0.373   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.521   0.341   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1       2.969   0.954   0.000  1.00  0.00           N  
HETATM   24 CL   UNL     1       1.587  -0.614   0.000  1.00  0.00          Cl  
HETATM   25  C   UNL     1       4.346   0.341   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.929   0.925   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   11                                            
CONECT    8    7   10                                                 
CONECT    9    2                                                      
CONECT   10    8   12   16                                            
CONECT   11    7                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   10                                                 
CONECT   17   14   18   19                                            
CONECT   18   17   20   23                                            
CONECT   19   17                                                      
CONECT   20   18   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   18                                                 
CONECT   24   20                                                      
CONECT   25   22   26                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0DX8P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.495   0.235   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.292   0.021   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.506  -0.776   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.922  -1.359   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.125  -1.146   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.912  -0.349   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.241  -1.150   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.112  -1.965   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.297  -2.094   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.976  -0.776   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.434  -1.595   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.792  -1.076   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.088  -0.306   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.639   0.386   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.815   0.343   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.440  -0.392   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.384  -0.435   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.833   0.257   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       0.458   0.992   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.366   1.035   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.657   0.214   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.106   0.905   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.930   0.862   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       1.732   1.641   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       3.304   0.127   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.128   0.084   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.578   0.776   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.203   1.511   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.379   1.554   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.393   0.905   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       5.522   1.720   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       4.786   2.094   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       5.976   0.322   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1   13                                            
CONECT    7    3    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    4                                                 
CONECT   10    7                                                      
CONECT   11    5   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    6   14                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   25   29                                            
CONECT   24   22                                                      
CONECT   25   23   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29   32                                            
CONECT   29   28   23                                                 
CONECT   30   27   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   28                                                 
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0DY3A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -7.832   0.411   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.832  -0.411   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.120  -0.822   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -6.408  -0.411   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -7.120   0.822   0.000  1.00  0.00           C  
HETATM    6  S   UNL     1      -5.696   0.822   0.000  1.00  0.00           S  
HETATM    7  C   UNL     1      -5.696   1.644   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.408   2.055   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -7.120   1.644   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -5.696  -0.822   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.984  -0.411   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.984   0.411   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.272  -0.822   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.560  -0.411   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.848  -0.822   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.136  -0.411   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.424  -0.822   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.712  -0.411   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       0.000  -0.822   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -6.323   0.609   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1      -5.696  -1.644   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1      -3.560   0.411   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.424  -1.644   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.848  -1.644   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.560  -2.055   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.136  -2.055   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.120  -1.644   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       7.832  -0.411   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       7.120  -0.822   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       6.408  -0.411   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.696  -0.822   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.984  -0.411   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.272  -0.822   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.560  -0.411   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.848  -0.822   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.136  -0.411   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       1.424  -0.822   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       0.712  -0.411   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   27                                            
CONECT    4    3   10                                                 
CONECT    5    1    9   20                                            
CONECT    6    7   12                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    4   11   21                                            
CONECT   11   10   12   13                                            
CONECT   12   11    6                                                 
CONECT   13   11   14                                                 
CONECT   14   13   15   22                                            
CONECT   15   14   16   24                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   23                                            
CONECT   18   17   19                                                 
CONECT   19   38   18                                                 
CONECT   20    5                                                      
CONECT   21   10                                                      
CONECT   22   14                                                      
CONECT   23   17                                                      
CONECT   24   15   25   26                                            
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27    3                                                      
CONECT   28   29                                                      
CONECT   29   30   28                                                 
CONECT   30   31   29                                                 
CONECT   31   32   30                                                 
CONECT   32   33   31                                                 
CONECT   33   34   32                                                 
CONECT   34   35   33                                                 
CONECT   35   36   34                                                 
CONECT   36   37   35                                                 
CONECT   37   38   36                                                 
CONECT   38   37   19                                                 
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0DY3E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.052   0.288   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.052  -0.537   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.338  -0.949   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.377  -0.537   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.377   0.288   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.338   0.701   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.161  -0.791   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.646  -0.124   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.161   0.543   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.416   1.328   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       0.864   1.941   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       2.223   1.500   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.775   0.886   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.520   0.102   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.072  -0.511   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.879  -0.340   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.134   0.445   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.582   1.058   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.767  -0.949   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.520  -0.614   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.072  -1.227   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1      -2.660  -1.941   0.000  1.00  0.00           S  
HETATM   23  C   UNL     1      -1.853  -1.770   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.775   0.171   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.582   0.343   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.134  -0.271   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -3.879  -1.055   0.000  1.00  0.00           N  
HETATM   28  N   UNL     1      -2.223   0.784   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   19                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19    2   20   23                                            
CONECT   20   19   21   24                                            
CONECT   21   20   22   27                                            
CONECT   22   21   23                                                 
CONECT   23   22   19                                                 
CONECT   24   20   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   21                                                 
CONECT   28   24                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0DY5R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.314  -0.512   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.314  -1.337   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.600  -1.749   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.115  -1.337   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.115  -0.512   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.600  -0.099   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.830  -0.099   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.544  -0.512   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1       0.830   0.726   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       2.258  -0.099   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.012  -0.435   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       3.564   0.178   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       3.152   0.893   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       2.345   0.721   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.028  -0.099   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.183  -1.242   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.570  -1.794   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.742  -2.601   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.526  -2.856   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.139  -2.304   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.968  -1.497   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.115   0.721   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1      -2.922   0.893   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.334   0.178   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.782  -0.435   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.257   1.647   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.407   1.677   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.855   2.290   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.048   2.119   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.793   1.334   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.110   3.075   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       2.558   3.688   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       3.917   3.246   0.000  1.00  0.00           C  
HETATM   34  H   UNL     1       3.365   3.860   0.000  1.00  0.00           H  
HETATM   35  C   UNL     1      -2.029  -1.749   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1      -0.810  -3.860   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -4.139  -2.968   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1      -3.248   0.361   0.000  1.00  0.00           F  
CONECT    1    2    6   15                                            
CONECT    2    1    3   35                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   14                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   27                                            
CONECT   14   13   10   30                                            
CONECT   15    1   22   25                                            
CONECT   16   11   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   15   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   15                                                 
CONECT   26   23                                                      
CONECT   27   13   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   14                                                 
CONECT   31   28   32   33   34                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
CONECT   35   36   37   38    2                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END

$$$$

$$$$

$$$$
D0DZ0M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.706   0.019   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.881   0.019   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.468   0.734   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.881   1.448   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.706   1.448   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.118   0.734   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.643   0.734   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.818   0.734   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.007   0.734   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.491   0.066   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.276   0.321   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.276   1.146   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.491   1.401   0.000  1.00  0.00           C  
HETATM   14  F   UNL     1      -0.368   1.469   0.000  1.00  0.00           F  
HETATM   15  C   UNL     1       1.944  -0.164   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.857  -0.984   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.525  -1.469   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.279  -1.133   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.365  -0.313   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.697   0.172   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1       4.118   0.023   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   13   14                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12    9                                                 
CONECT   14    9                                                      
CONECT   15   11   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   15                                                 
CONECT   21   19                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0DZ5H
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.536   0.711   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.747  -0.087   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.162  -0.668   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.366  -0.453   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.155   0.345   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.740   0.926   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.421   0.721   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.552   1.536   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1      -3.367   1.663   0.000  1.00  0.00           S  
HETATM   10  O   UNL     1      -1.970   2.121   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.685   0.349   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.971   0.763   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.256   0.352   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.458   0.767   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       1.173   0.356   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.177  -0.469   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.893  -0.878   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.606  -0.469   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.606   0.356   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.893   0.766   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.320  -0.882   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.318  -1.707   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.032  -2.121   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.747  -1.707   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.747  -0.882   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.032  -0.469   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1    9                                            
CONECT    7    5    8   11                                            
CONECT    8    7    9   10                                            
CONECT    9    8    6                                                 
CONECT   10    8                                                      
CONECT   11    7   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0E0MH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.607  -0.128   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.607  -0.953   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.893  -1.365   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.179  -0.953   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.179  -0.128   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.893   0.285   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.464  -1.365   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.750  -0.953   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.750  -0.128   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.464   0.285   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.035   0.285   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.035   1.110   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.750   1.522   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.464   1.110   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.750   0.030   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.234   0.698   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.750   1.365   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.322  -1.365   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.464  -2.190   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.035  -1.365   0.000  1.00  0.00           O  
HETATM   21  H   UNL     1       0.051  -0.535   0.000  1.00  0.00           H  
HETATM   22  C   UNL     1       0.750   2.190   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.035   2.603   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.464   2.603   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.179   2.190   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.893   2.603   0.000  1.00  0.00           C  
HETATM   27  S   UNL     1       3.607   2.190   0.000  1.00  0.00           S  
HETATM   28  O   UNL     1       4.322   2.603   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.179   0.698   0.000  1.00  0.00           C  
HETATM   30  H   UNL     1      -2.179  -1.778   0.000  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.750   0.698   0.000  1.00  0.00           H  
HETATM   32  C   UNL     1      -0.035   1.935   0.000  1.00  0.00           C  
HETATM   33  H   UNL     1       1.534   1.620   0.000  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.464  -0.540   0.000  1.00  0.00           H  
HETATM   35  C   UNL     1      -2.179  -2.603   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1       3.024   1.607   0.000  1.00  0.00           O  
HETATM   37  O   UNL     1       4.191   1.607   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7   30                                       
CONECT    5    4    6   10   29                                       
CONECT    6    5    1                                                 
CONECT    7    4    8   19                                            
CONECT    8    7    9   20                                            
CONECT    9    8   10   11   31                                       
CONECT   10    9    5   14   34                                       
CONECT   11    9   12   15   21                                       
CONECT   12   11   13   17   32                                       
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   22   33                                       
CONECT   18    2                                                      
CONECT   19    7   35                                                 
CONECT   20    8                                                      
CONECT   21   11                                                      
CONECT   22   17   23   24                                            
CONECT   23   22                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   36   37                                       
CONECT   28   27                                                      
CONECT   29    5                                                      
CONECT   30    4                                                      
CONECT   31    9                                                      
CONECT   32   12                                                      
CONECT   33   17                                                      
CONECT   34   10                                                      
CONECT   35   19                                                      
CONECT   36   27                                                      
CONECT   37   27                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0E0YY
  -OEChem-09301911142D

 45 49  0     1  0  0  0  0  0999 V2000
    7.9332    3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2011   -3.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3351    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6931   -0.0347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3938    1.4718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4691   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5992    0.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7370   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2011    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0671    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9332   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7992    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2011   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0671    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9332   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7992    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9332    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4691    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6030    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0671   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7992   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6931    2.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7370    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0671   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7992   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5992    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9332   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4051    1.5749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6030   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2011    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3351    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5811   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2011   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8211   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5302    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5302   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3361   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6860    2.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8079    1.9333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3361   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1349    1.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9332   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    2.1118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6030   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 25  1  0  0  0  0
  3 10  1  0  0  0  0
  3 19  1  0  0  0  0
  3 32  1  0  0  0  0
  4  7  2  0  0  0  0
  4 13  1  0  0  0  0
  5 20  1  0  0  0  0
  5 29  1  0  0  0  0
  5 40  1  0  0  0  0
  6 19  2  0  0  0  0
  6 30  1  0  0  0  0
  7 27  1  0  0  0  0
  8 24  1  0  0  0  0
  8 29  2  0  0  0  0
  9 24  1  0  0  0  0
  9 30  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  2  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 18  1  0  0  0  0
 15 36  1  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 18  2  0  0  0  0
 17 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 21 37  1  0  0  0  0
 22 26  2  0  0  0  0
 22 38  1  0  0  0  0
 23 27  2  0  0  0  0
 23 39  1  0  0  0  0
 25 28  2  0  0  0  0
 26 28  1  0  0  0  0
 26 41  1  0  0  0  0
 27 42  1  0  0  0  0
 28 43  1  0  0  0  0
 29 44  1  0  0  0  0
 30 45  1  0  0  0  0
M  END

$$$$
D0E1KS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.966   3.892   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.555   3.177   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.730   3.176   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.316   3.889   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.727   4.605   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.552   4.606   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.316   2.461   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.491   2.461   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.077   3.176   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.491   3.889   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.728   1.746   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.316   1.032   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.491   1.032   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.079   1.746   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.079   0.317   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.254   0.317   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1      -2.491  -0.397   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.841  -0.397   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.016  -0.397   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.397  -1.112   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.222  -1.112   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.634  -0.397   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.222   0.317   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.397   0.317   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.634  -1.826   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       1.222  -2.541   0.000  1.00  0.00           O  
HETATM   27  N   UNL     1       2.459  -1.826   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       2.872  -2.541   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.696  -2.541   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       4.181  -3.208   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       4.966  -2.953   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.966  -2.128   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.181  -1.873   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.926  -3.993   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.479  -4.606   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8   11                                            
CONECT    8    7    9   14                                            
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    7   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13    8                                                 
CONECT   15   13   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   21   26   27                                            
CONECT   26   25                                                      
CONECT   27   25   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   33                                            
CONECT   30   29   31   34                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   29                                                 
CONECT   34   30   35                                                 
CONECT   35   34                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0E2AD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.204   1.850   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.204   1.028   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.492   0.617   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.780   1.028   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.780   1.850   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.492   2.261   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -3.916   2.261   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1      -4.628   1.850   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.628   1.028   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.916   0.617   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.068   0.617   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.356   0.205   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.356  -0.205   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.356  -1.028   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.068  -1.439   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.780  -1.028   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.780  -0.205   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.068   0.205   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.492  -1.439   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       3.204  -1.028   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       3.916  -1.439   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.628  -1.028   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       2.492  -2.261   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.505  -0.095   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.327  -0.095   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   11                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    2   24   25                                       
CONECT   11    4   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21                                                      
CONECT   23   19                                                      
CONECT   24   10                                                      
CONECT   25   10                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0E2AF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.715  -0.030   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.000   0.382   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.715  -0.030   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.429   0.382   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.143  -0.030   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       2.858   0.382   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       3.572  -0.030   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       4.287   0.382   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       5.001   0.795   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       3.160  -0.745   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.985  -0.745   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       2.143  -0.855   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       1.429   1.207   0.000  1.00  0.00           C  
HETATM   14  S   UNL     1       2.012   1.791   0.000  1.00  0.00           S  
HETATM   15  O   UNL     1       1.429   2.374   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       2.425   2.505   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       2.809   1.577   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.213   1.179   0.000  1.00  0.00           C  
HETATM   19  F   UNL     1       0.427   1.976   0.000  1.00  0.00           F  
HETATM   20  F   UNL     1       0.797   1.763   0.000  1.00  0.00           F  
HETATM   21  F   UNL     1       0.000   1.976   0.000  1.00  0.00           F  
HETATM   22  C   UNL     1      -0.654   0.885   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.369   1.297   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.083   1.710   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.496   2.424   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.909   1.710   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.429   0.382   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.143  -0.030   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.143  -0.855   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.429  -1.268   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.715  -0.855   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.858  -1.268   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.572  -0.855   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.287  -1.268   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.287  -2.093   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.572  -2.505   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.858  -2.093   0.000  1.00  0.00           C  
HETATM   38 XX   UNL     1      -5.001  -2.505   0.000  1.00  0.00          Xx  
CONECT    1    2   27   31                                            
CONECT    2    1    3   18   22                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    6   12                                            
CONECT    6    5    7                                                 
CONECT    7    6    8   10   11                                       
CONECT    8    7    9                                                 
CONECT    9    8                                                      
CONECT   10    7   11                                                 
CONECT   11   10    7                                                 
CONECT   12    5                                                      
CONECT   13    4   14                                                 
CONECT   14   13   15   16   17                                       
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17   14                                                      
CONECT   18    2   19   20   21                                       
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   18                                                      
CONECT   22    2   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   26                                                 
CONECT   26   25   24                                                 
CONECT   27    1   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30    1                                                 
CONECT   32   29   33   37                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36   38                                            
CONECT   36   35   37                                                 
CONECT   37   36   32                                                 
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0E2TY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.335   1.585   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.335   0.760   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.620   0.348   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.906   0.760   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.906   1.585   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.620   1.998   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.121   0.505   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.636   1.173   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.121   1.840   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.866   2.625   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.908  -0.291   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.111  -0.505   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.491  -0.875   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.288  -0.661   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.872  -1.245   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.658  -2.042   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.861  -2.255   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.278  -1.672   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -3.241  -2.625   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1       0.189   1.173   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.635   1.853   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.460   1.853   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.043   1.270   0.000  1.00  0.00           N  
HETATM   24  O   UNL     1       1.872   2.568   0.000  1.00  0.00           O  
HETATM   25  S   UNL     1       2.868   1.270   0.000  1.00  0.00           S  
HETATM   26  C   UNL     1       3.693   1.270   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       2.868   2.095   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1       2.868   0.445   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1      -3.693   2.204   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -2.979   1.792   0.000  1.00  0.00           C  
CONECT    1    2    6   29                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   20                                            
CONECT    9    8    5   10                                            
CONECT   10    9                                                      
CONECT   11    7   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16                                                      
CONECT   20    8   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   25                                                 
CONECT   24   22                                                      
CONECT   25   23   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
CONECT   29    1   30                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0E2VI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.156   0.585   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.441   0.998   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.273   0.585   0.000  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.441   1.823   0.000  1.00  0.00           O  
HETATM    5  C   UNL     1       0.273  -0.240   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.988  -0.652   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.702  -0.240   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.702   0.585   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.988   0.998   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       0.988   1.823   0.000  1.00  0.00           O  
HETATM   11  S   UNL     1       0.988  -1.477   0.000  1.00  0.00           S  
HETATM   12  C   UNL     1       1.702   2.235   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.702   3.060   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.988  -2.302   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       1.813  -1.477   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       0.163  -1.477   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.909   0.921   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.461   0.307   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.049  -0.407   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.242  -0.235   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.874  -0.407   0.000  1.00  0.00           C  
HETATM   22  H   UNL     1      -3.129   0.792   0.000  1.00  0.00           H  
HETATM   23  C   UNL     1      -1.963  -1.227   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.576  -1.779   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.240  -2.533   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.420  -2.447   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.248  -1.640   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -0.868  -3.060   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.417   1.823   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1       2.006   1.111   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1       3.129   1.411   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       2.828   2.535   0.000  1.00  0.00           F  
CONECT    1    2   17   20                                            
CONECT    2    1    3    4                                            
CONECT    3    2    5    9                                            
CONECT    4    2                                                      
CONECT    5    3    6                                                 
CONECT    6    5    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    3   10                                            
CONECT   10    9   12                                                 
CONECT   11    6   14   15   16                                       
CONECT   12   29   10   13                                            
CONECT   13   12                                                      
CONECT   14   11                                                      
CONECT   15   11                                                      
CONECT   16   11                                                      
CONECT   17    1   18                                                 
CONECT   18   17   19   21   22                                       
CONECT   19   18   20   21   23                                       
CONECT   20   19    1                                                 
CONECT   21   18   19                                                 
CONECT   22   18                                                      
CONECT   23   19   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   23                                                 
CONECT   28   26                                                      
CONECT   29   30   31   32   12                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0E2WK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.169   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.169   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.454   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.740   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.740   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.454   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.454  -0.412   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.169  -0.825   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.169  -1.650   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.454  -2.062   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.740  -1.650   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.740  -0.825   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.045  -1.905   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.530  -1.238   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.045  -0.570   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.300   0.215   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.252   0.828   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       1.107   0.386   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.362   1.171   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.169   1.342   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11    7   15                                            
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   12   16                                            
CONECT   16   15   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0E2WS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.175   2.427   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.972   2.213   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.186   1.416   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.602   0.833   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.805   1.047   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.592   1.843   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.816   0.036   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.232  -0.547   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.446  -1.344   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.216  -1.640   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.173  -2.464   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.376  -2.677   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.927  -1.985   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.103  -1.942   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.654  -2.634   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.170  -2.591   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.028  -3.369   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       0.620  -3.283   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.443  -3.240   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.818  -2.504   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.369  -1.813   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.545  -1.856   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.027  -3.823   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       2.762  -3.448   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       2.633  -2.634   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       3.216  -2.050   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       0.245  -4.018   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.962   3.224   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -1.749   4.018   0.000  1.00  0.00           N  
CONECT    1   28    2    6                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    9   14                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   18   22                                            
CONECT   17   15                                                      
CONECT   18   16   19   27                                            
CONECT   19   18   20   23                                            
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   16                                                 
CONECT   23   19   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20   26                                            
CONECT   26   25                                                      
CONECT   27   18                                                      
CONECT   28   29    1                                                 
CONECT   29   28                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0E3ED
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.877   0.635   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.877  -0.190   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.163  -0.603   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.448  -0.190   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.448   0.635   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.163   1.047   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -5.592  -0.603   0.000  1.00  0.00           S  
HETATM    8  N   UNL     1      -6.306  -1.015   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -5.179  -1.317   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1      -6.004   0.112   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.734   1.047   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.019   0.635   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1      -2.734   1.872   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.933  -0.186   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.126  -0.357   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.714   0.357   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.266   0.970   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.574  -0.970   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.179  -0.635   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       0.093   0.186   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.894  -1.047   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.608  -0.635   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.323  -1.047   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.037  -0.635   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.752  -1.047   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.466  -0.635   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.466   0.190   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.752   0.603   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.037   0.190   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1       2.323   0.603   0.000  1.00  0.00           F  
HETATM   31  O   UNL     1       5.181   0.603   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       0.894  -1.872   0.000  1.00  0.00           O  
HETATM   33  H   UNL     1      -1.539  -1.072   0.000  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.301   1.072   0.000  1.00  0.00           H  
HETATM   35  C   UNL     1       5.894   0.191   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1       5.481  -0.524   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1       5.179   0.603   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1       6.306   0.905   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    2    8    9   10                                       
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    7                                                      
CONECT   11    5   12   13                                            
CONECT   12   11   14   17                                            
CONECT   13   11                                                      
CONECT   14   12   15                                                 
CONECT   15   14   16   18   33                                       
CONECT   16   15   17   20   34                                       
CONECT   17   16   12                                                 
CONECT   18   15   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   16                                                 
CONECT   21   19   22   32                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   24   30                                            
CONECT   30   29                                                      
CONECT   31   27   35                                                 
CONECT   32   21                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   31   36   37   38                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0E3OT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.001  -0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.001  -1.238   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.287  -1.650   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.572  -1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.572  -0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.287   0.000   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.287   0.825   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.287  -2.475   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.858   0.000   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.143  -0.412   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -2.858   0.825   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -5.001   1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.001   2.062   0.000  1.00  0.00           C  
HETATM   14  F   UNL     1      -5.716   2.475   0.000  1.00  0.00           F  
HETATM   15  C   UNL     1      -1.429   0.000   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.715  -0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.000   0.000   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.715  -0.412   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.429   0.000   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.143  -0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.858   0.000   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.858   0.825   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.143   1.238   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.429   0.825   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.572  -0.412   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.287   0.000   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.287   0.825   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.572   1.238   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       5.001   1.238   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       5.001  -0.412   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       5.716   0.825   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.716   0.000   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1    7                                            
CONECT    7    6   12                                                 
CONECT    8    3                                                      
CONECT    9    5   10   11                                            
CONECT   10    9   15                                                 
CONECT   11    9                                                      
CONECT   12    7   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13                                                      
CONECT   15   10   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23   28                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   21   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   28   29                                            
CONECT   28   27   22                                                 
CONECT   29   27   31                                                 
CONECT   30   26   32                                                 
CONECT   31   29                                                      
CONECT   32   30                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0E4BN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.763  -0.345   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.763  -1.170   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.049  -1.582   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.666  -1.170   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.666  -0.345   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.049   0.068   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.049   0.893   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.666   1.305   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.478   0.068   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.192  -0.345   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.478   0.893   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.192   1.305   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.380  -1.582   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.907   0.893   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.192   2.130   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.419   0.970   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.972   1.583   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.559   2.297   0.000  1.00  0.00           N  
HETATM   19  S   UNL     1       0.752   2.126   0.000  1.00  0.00           S  
HETATM   20  C   UNL     1      -2.907   0.068   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.621  -0.345   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.621  -1.170   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.907  -1.582   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.192  -1.170   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.095  -1.170   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.809  -1.582   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       3.524  -1.170   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1       2.809  -2.407   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       1.380  -2.407   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.796   1.583   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       2.796   0.758   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       3.621   1.583   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       2.796   2.407   0.000  1.00  0.00           F  
CONECT    1    2    6    9                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7   16   19                                            
CONECT    9    1   10   11                                            
CONECT   10    9   20   24                                            
CONECT   11    9   12                                                 
CONECT   12   11   14   15                                            
CONECT   13    4   25   29                                            
CONECT   14   12                                                      
CONECT   15   12                                                      
CONECT   16    8   17                                                 
CONECT   17   16   18   30                                            
CONECT   18   17   19                                                 
CONECT   19   18    8                                                 
CONECT   20   10   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   10                                                 
CONECT   25   13   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   13                                                      
CONECT   30   31   32   33   17                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0E4TO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.431   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.431  -0.413   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.717  -0.826   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.003  -0.413   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.003   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.717   0.824   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.288   0.824   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.288   1.649   0.000  1.00  0.00           O  
HETATM    9  N   UNL     1      -3.574   0.412   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.859   0.824   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.145   0.412   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1      -2.859   1.649   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.430   0.824   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.716   0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.001   0.824   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.001   1.649   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.716   2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.430   1.649   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.713   2.062   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.713   0.412   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.428   0.824   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.142   0.412   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.428   1.649   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       2.142  -0.413   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.857  -0.826   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.571  -0.413   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.571   0.412   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.857   0.824   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.286  -0.826   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.000  -0.413   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.715  -0.826   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       6.429  -0.413   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       7.143  -0.826   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       7.858  -0.413   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       7.858   0.412   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       7.143   0.824   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       6.429   0.412   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1      -7.146   0.824   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1      -7.858   0.413   0.000  1.00  0.00           C  
HETATM   40  O   UNL     1      -7.146  -0.826   0.000  1.00  0.00           O  
HETATM   41  C   UNL     1      -7.146  -1.648   0.000  1.00  0.00           C  
HETATM   42  O   UNL     1      -5.717  -1.651   0.000  1.00  0.00           O  
HETATM   43  C   UNL     1      -5.005  -2.062   0.000  1.00  0.00           C  
CONECT    1   38    2    6                                            
CONECT    2   40    1    3                                            
CONECT    3   42    2    4                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10   13                                                 
CONECT   12   10                                                      
CONECT   13   11   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16                                                      
CONECT   20   15   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   24   28                                            
CONECT   23   21                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   22                                                 
CONECT   29   26   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   37                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   32                                                 
CONECT   38   39    1                                                 
CONECT   39   38                                                      
CONECT   40   41    2                                                 
CONECT   41   40                                                      
CONECT   42   43    3                                                 
CONECT   43   42                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
M  END

$$$$
D0E4UV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.357   2.062   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.357   1.238   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.357   0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.072   1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.072   2.062   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.357   2.475   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.072   2.475   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.786   2.062   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.786   1.238   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.072   0.825   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.501   0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.357   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.357  -0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.357  -1.238   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.357  -1.650   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.072  -1.238   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.072  -0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.142  -0.158   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.627  -0.825   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.142  -1.492   0.000  1.00  0.00           N  
HETATM   21  O   UNL     1       0.357  -2.475   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.501   2.475   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.786  -1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.072   1.650   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       1.786   2.475   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       2.501   2.062   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4   12                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   25                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9   22                                            
CONECT    9    8   10   11   24                                       
CONECT   10    9    2                                                 
CONECT   11    9                                                      
CONECT   12    3   13   17                                            
CONECT   13   12   14   18                                            
CONECT   14   13   15   20                                            
CONECT   15   14   16   21                                            
CONECT   16   15   17   23                                            
CONECT   17   16   12                                                 
CONECT   18   13   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   14                                                 
CONECT   21   15                                                      
CONECT   22    8                                                      
CONECT   23   16                                                      
CONECT   24    9                                                      
CONECT   25    5   26                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0E5AT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.827   0.908   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.827   0.084   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.541  -0.329   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.256   0.084   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.256   0.908   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.541   1.321   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1       2.970  -0.329   0.000  1.00  0.00          Cl  
HETATM    8  N   UNL     1       0.112   1.321   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.112   2.146   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.602   2.558   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.317   2.146   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.317   1.321   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.602   0.908   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.031   2.558   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.746   2.146   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1       0.112  -0.329   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.112  -1.154   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       0.827  -1.567   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.602  -1.567   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.356  -1.231   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.908  -1.844   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1      -1.496  -2.558   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.689  -2.387   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.611  -0.446   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.418  -0.275   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.970  -0.888   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.715  -1.673   0.000  1.00  0.00           C  
CONECT    1    2    6    8                                            
CONECT    2    1    3   16                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4                                                      
CONECT    8    1    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15                                                 
CONECT   15   14                                                      
CONECT   16    2   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17                                                      
CONECT   19   17   20   23                                            
CONECT   20   19   21   24                                            
CONECT   21   20   22   27                                            
CONECT   22   21   23                                                 
CONECT   23   22   19                                                 
CONECT   24   20   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   21                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0E5CO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.300  -0.357   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.888  -1.072   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.062  -1.072   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.650  -0.357   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.062   0.357   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.888   0.357   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.825  -0.357   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.412  -1.072   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.412  -1.072   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.825  -1.786   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.650  -1.786   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.062  -1.072   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.650  -0.357   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.825  -0.357   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.888  -1.072   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.300  -0.357   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       3.300  -1.786   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       2.888   0.357   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.412   0.357   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.412   0.357   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.825   1.072   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.412   1.786   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.412   1.786   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.825   1.072   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.650   1.072   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.063   1.786   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   19                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16                                                      
CONECT   19    7   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19   25                                            
CONECT   25   24   26                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0E5OA
  -OEChem-09301911212D

 61 63  0     1  0  0  0  0  0999 V2000
    2.8660   -1.4888    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6728    0.8129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6728    2.8823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -2.3548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -0.6228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3109    2.3751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8549    1.1803    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5112    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1808    0.8476    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2672    1.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -0.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0762   -0.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    2.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    2.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    2.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5788    2.3684    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5788    1.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4429    2.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1750    2.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0429    2.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9070    2.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7750    2.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6390    2.8918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1483    1.4668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5772    1.7913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7656    1.6188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5317   -0.6070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2897   -0.9445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1410   -0.7635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962   -0.1469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.5938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.0965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9838    1.7868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2653    0.9887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.2276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5098    2.6576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    3.4676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5753    2.9884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7879    0.7431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1897    1.4329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8396    3.3482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0426    3.3452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0560   -2.8918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5717    3.3549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7746    3.3518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6462    1.9053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4433    1.9084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3037    3.3616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5066    3.3585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3783    1.9120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1753    1.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9511    2.3560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1748    3.2038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3270    3.4275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  2 15  1  0  0  0  0
  3 19  1  0  0  0  0
  3 23  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 49  1  0  0  0  0
  6 50  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
 10  9  1  1  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 16  1  1  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 41  1  0  0  0  0
 18 20  2  0  0  0  0
 18 42  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 20 43  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  6  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 26  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 26 27  1  0  0  0  0
 26 53  1  0  0  0  0
 26 54  1  0  0  0  0
 27 28  1  0  0  0  0
 27 55  1  0  0  0  0
 27 56  1  0  0  0  0
 28 29  1  0  0  0  0
 28 57  1  0  0  0  0
 28 58  1  0  0  0  0
 29 59  1  0  0  0  0
 29 60  1  0  0  0  0
 29 61  1  0  0  0  0
M  END

$$$$
D0E5QO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.675   1.649   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.037   2.060   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.749   1.649   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.749   0.826   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.461   0.415   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.173   0.826   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.173   1.649   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.461   2.060   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.885   0.415   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.597   0.826   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.597   1.649   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.885   2.060   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       4.309   2.060   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       5.021   1.649   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       4.309   2.882   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       2.885  -0.407   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.390   2.061   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.104   1.649   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.104   0.824   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.390   0.411   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.675   0.824   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.170  -0.819   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.170  -1.644   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.885  -2.057   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.599  -1.644   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.599  -0.819   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.889   1.903   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.374   1.236   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.889   0.569   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1       2.885  -2.882   0.000  1.00  0.00           F  
HETATM   31  C   UNL     1      -4.199   1.236   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1      -4.199   2.058   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -5.021   1.236   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -4.199   0.414   0.000  1.00  0.00           F  
CONECT    1    2   17   21                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7    9                                            
CONECT    7    6    8   12                                            
CONECT    8    7    3                                                 
CONECT    9    6   10   16                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11    7                                                 
CONECT   13   11   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16    9   22   26                                            
CONECT   17    1   18                                                 
CONECT   18   17   19   27                                            
CONECT   19   18   20   29                                            
CONECT   20   19   21                                                 
CONECT   21   20    1                                                 
CONECT   22   16   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   30                                            
CONECT   25   24   26                                                 
CONECT   26   25   16                                                 
CONECT   27   18   28                                                 
CONECT   28   31   27   29                                            
CONECT   29   28   19                                                 
CONECT   30   24                                                      
CONECT   31   32   33   34   28                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0E5WC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.383  -0.683   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.383  -1.505   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.671  -1.917   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.041  -1.505   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.041  -0.683   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.671  -0.272   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       0.752  -1.917   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       1.464  -1.505   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.464  -0.683   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.752  -0.272   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.165  -0.429   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.649  -1.094   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.165  -1.760   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1       2.176  -1.917   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.419   0.353   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.752   0.550   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.176  -0.272   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.869   0.964   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.123   1.746   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.928   1.917   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.478   1.306   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.224   0.524   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.928  -0.607   0.000  1.00  0.00           N  
HETATM   24  S   UNL     1       3.478   0.004   0.000  1.00  0.00           S  
HETATM   25  C   UNL     1       3.067   0.716   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.262   0.545   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1       3.401   1.467   0.000  1.00  0.00           O  
CONECT    1    2    6   11                                            
CONECT    2    1    3   13                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   14                                            
CONECT    9    8   10   17                                            
CONECT   10    9    5   16                                            
CONECT   11    1   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12    2                                                 
CONECT   14    8                                                      
CONECT   15   11   18   22                                            
CONECT   16   10                                                      
CONECT   17    9   23   26                                            
CONECT   18   15   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   15                                                 
CONECT   23   17   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   17                                                 
CONECT   27   25                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0E6ED
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.644  -0.207   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.644  -1.032   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.930  -1.445   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.215  -1.032   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.215  -0.207   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.930   0.205   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.359  -1.445   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.501   0.205   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.786  -0.207   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.072   0.205   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.357  -0.207   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.357   0.205   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.072  -0.207   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.786   0.205   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       2.501  -0.207   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       3.215   0.205   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.501   1.030   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1      -0.357  -1.032   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       1.786   1.030   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.072   1.030   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.072  -1.032   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.930  -0.207   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.215   1.030   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.644   0.205   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       3.930  -1.032   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       1.786  -1.445   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.501   1.443   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.644  -0.620   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       5.359   0.618   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       4.644   1.030   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.786  -2.270   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.501  -2.682   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.215  -2.270   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.215  -1.445   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.501  -1.032   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1       3.930  -2.682   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1       4.644  -2.270   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       2.703   2.243   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       2.005   2.682   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       1.371   2.154   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       1.677   1.388   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9   17                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   20                                            
CONECT   11   10   12   18                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   21                                            
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   22   23                                            
CONECT   17    8                                                      
CONECT   18   11                                                      
CONECT   19   14                                                      
CONECT   20   10                                                      
CONECT   21   13   26                                                 
CONECT   22   16   24   25                                            
CONECT   23   16   27                                                 
CONECT   24   22   28   29   30                                       
CONECT   25   22                                                      
CONECT   26   21   31   35                                            
CONECT   27   23   38   41                                            
CONECT   28   24                                                      
CONECT   29   24   30                                                 
CONECT   30   29   24                                                 
CONECT   31   26   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   36                                            
CONECT   34   33   35                                                 
CONECT   35   34   26                                                 
CONECT   36   33   37                                                 
CONECT   37   36                                                      
CONECT   38   27   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41                                                 
CONECT   41   40   27                                                 
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D0E6EP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.387   3.421   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.387   2.596   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.102   2.183   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.816   2.596   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.816   3.421   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.102   3.833   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.102   4.658   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.102   1.358   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.327   3.833   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.042   3.421   0.000  1.00  0.00           C  
HETATM   11  S   UNL     1      -1.756   3.833   0.000  1.00  0.00           S  
HETATM   12  C   UNL     1      -2.369   3.281   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.034   2.528   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.213   2.614   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.446   1.813   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.271   1.813   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.684   1.099   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.271   0.384   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.446   0.384   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.034   1.099   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.816   0.946   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       2.531   1.358   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.816   0.121   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.149  -0.364   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.404  -1.149   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.229  -1.149   0.000  1.00  0.00           C  
HETATM   27  S   UNL     1       2.484  -0.364   0.000  1.00  0.00           S  
HETATM   28  C   UNL     1       2.714  -1.816   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.378  -2.570   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.863  -3.237   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       3.684  -3.151   0.000  1.00  0.00           O  
HETATM   32  N   UNL     1       2.527  -3.991   0.000  1.00  0.00           N  
HETATM   33  O   UNL     1       3.013  -4.658   0.000  1.00  0.00           O  
CONECT    1    2    6    9                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    3   21                                                 
CONECT    9    1   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13   10                                                 
CONECT   15   13   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21    8   22   23                                            
CONECT   22   21                                                      
CONECT   23   21   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   23                                                 
CONECT   28   26   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30                                                      
CONECT   32   30   33                                                 
CONECT   33   32                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0E6KF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.715  -0.977   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.715  -1.802   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.000  -2.215   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.715  -1.802   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.715  -0.977   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.000  -0.565   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.429  -0.565   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.143  -0.977   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.858  -0.565   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.858   0.260   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.143   0.673   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.429   0.260   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.572  -0.977   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.287  -0.565   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.287   0.260   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.572   0.673   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.572   1.498   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       5.001   0.673   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       5.716   0.260   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       5.716  -0.565   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1       6.430   0.673   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       4.287   1.085   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.429  -2.215   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.143  -1.802   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.143  -0.977   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1      -2.858  -2.215   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.572  -1.802   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.572  -0.977   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.287  -0.565   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.001  -0.977   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.001  -1.802   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.287  -2.215   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.716  -0.565   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.430  -0.977   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.999   1.500   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1       4.586   2.215   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1       5.713   1.913   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1       5.411   0.786   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   23                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11   16                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    9   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18   22                                       
CONECT   16   15   10   17                                            
CONECT   17   16                                                      
CONECT   18   15   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   15   35                                                 
CONECT   23    2   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27                                                 
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   30   34                                                 
CONECT   34   33                                                      
CONECT   35   22   36   37   38                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0E6LU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.357   0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.072  -0.206   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.501  -1.444   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1       0.357  -1.444   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.072  -1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.786  -1.444   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.501  -1.031   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       2.501  -0.206   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.786   0.206   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       1.786   1.031   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       2.501   1.444   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7   11   15                                            
CONECT    9    2                                                      
CONECT   10    4                                                      
CONECT   11    8   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    8   16                                            
CONECT   16   15   17                                                 
CONECT   17   16                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D0E6VS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.278  -0.485   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.278  -1.310   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.437  -1.722   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.151  -1.310   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.151  -0.485   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.437  -0.072   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.992  -0.072   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.706  -0.485   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.706  -1.310   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.992  -1.722   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.866  -0.072   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.866   0.753   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.151   1.165   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.437   0.753   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.651  -0.327   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.135   0.340   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.651   1.008   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.421  -0.072   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.135  -0.485   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.421  -1.722   0.000  1.00  0.00           O  
HETATM   21  H   UNL     1       0.437  -0.897   0.000  1.00  0.00           H  
HETATM   22  H   UNL     1       1.866  -0.897   0.000  1.00  0.00           H  
HETATM   23  H   UNL     1       1.151   0.340   0.000  1.00  0.00           H  
HETATM   24  C   UNL     1       1.866   1.578   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       3.063   1.722   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   11   23                                       
CONECT    6    5    1   14   21                                       
CONECT    7    1    8                                                 
CONECT    8    7    9   18                                            
CONECT    9    8   10   20                                            
CONECT   10    9    2                                                 
CONECT   11    5   12   15   22                                       
CONECT   12   11   13   17   24                                       
CONECT   13   12   14                                                 
CONECT   14   13    6                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   25                                            
CONECT   18    8   19                                                 
CONECT   19   18                                                      
CONECT   20    9                                                      
CONECT   21    6                                                      
CONECT   22   11                                                      
CONECT   23    5                                                      
CONECT   24   12                                                      
CONECT   25   17                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0E6YT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.130   1.396   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.344   0.599   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.652   0.149   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.011   0.669   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.307   1.439   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.714   1.979   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.511   1.766   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.724   0.969   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.141   0.385   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.196   0.540   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.323   1.181   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.028   1.951   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1      -0.787   2.080   0.000  1.00  0.00           N  
HETATM   14  S   UNL     1       1.120   0.967   0.000  1.00  0.00           S  
HETATM   15  C   UNL     1       1.333   0.170   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.130  -0.043   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.344  -0.840   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.141  -1.054   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.724  -0.470   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.511   0.327   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.714   0.540   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.652  -0.675   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.938  -1.088   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.851  -1.909   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.044  -2.080   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       0.368  -1.366   0.000  1.00  0.00           N  
HETATM   27  O   UNL     1      -0.184  -0.752   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1      -2.366  -1.088   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       1.759  -1.423   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       0.963  -1.210   0.000  1.00  0.00           N  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   22                                            
CONECT    4    3    5   10                                            
CONECT    5    4    1   13                                            
CONECT    6    1    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    4   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    5                                                 
CONECT   14   11   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18   29                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22    3   23   28                                            
CONECT   23   22   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   23                                                 
CONECT   28   22                                                      
CONECT   29   17   30                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0E7FT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.897   0.085   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.897  -0.740   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.182  -1.152   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.467  -0.740   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.467   0.085   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.182   0.498   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -4.611   0.498   0.000  1.00  0.00          Cl  
HETATM    8  F   UNL     1      -4.611  -1.152   0.000  1.00  0.00           F  
HETATM    9  C   UNL     1      -1.753   0.498   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.039   0.085   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -1.753   1.323   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.039  -0.740   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.324  -1.152   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.390  -0.740   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.390   0.085   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.324   0.498   0.000  1.00  0.00           C  
HETATM   17  F   UNL     1       0.974  -1.323   0.000  1.00  0.00           F  
HETATM   18  C   UNL     1       1.215  -0.740   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.628  -0.025   0.000  1.00  0.00           N  
HETATM   20  H   UNL     1       1.215   0.689   0.000  1.00  0.00           H  
HETATM   21  C   UNL     1       2.453  -0.025   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.865   0.689   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       3.690   0.689   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       3.897   0.182   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.611  -0.231   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    2                                                      
CONECT    9    5   10   11                                            
CONECT   10    9   12   16                                            
CONECT   11    9                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17   18                                       
CONECT   15   14   16                                                 
CONECT   16   15   10                                                 
CONECT   17   14                                                      
CONECT   18   14   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19                                                      
CONECT   21   19   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0E7OQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.055   0.707   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.055  -0.118   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.729  -0.372   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.214   0.295   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.729   0.962   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.540  -0.785   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.055  -1.452   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.729  -1.198   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.770  -1.452   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.028  -2.283   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.825  -2.070   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.825  -1.245   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1       2.249  -0.537   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.452  -0.751   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.452  -1.576   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.851   0.925   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.425   1.518   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.425   0.707   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.629   0.489   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.734   2.283   0.000  1.00  0.00           C  
HETATM   21  H   UNL     1      -2.249   1.518   0.000  1.00  0.00           H  
HETATM   22  O   UNL     1      -1.212  -0.094   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       0.984   1.747   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       2.039   0.295   0.000  1.00  0.00           O  
CONECT    1    2    5   16                                            
CONECT    2    1    3    6   19                                       
CONECT    3    2    4    8   14                                       
CONECT    4    3    5   24                                            
CONECT    5    4    1   23                                            
CONECT    6    2    7                                                 
CONECT    7    6    9                                                 
CONECT    8    3                                                      
CONECT    9    7   12                                                 
CONECT   10   11   15                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13    9                                            
CONECT   13   12   14                                                 
CONECT   14   13   15    3                                            
CONECT   15   14   10                                                 
CONECT   16    1   17                                                 
CONECT   17   16   18   20   21                                       
CONECT   18   17   19                                                 
CONECT   19   18    2   22                                            
CONECT   20   17                                                      
CONECT   21   17                                                      
CONECT   22   19                                                      
CONECT   23    5                                                      
CONECT   24    4                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END

$$$$

$$$$

$$$$
D0E7SF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.624   0.674   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.624  -0.151   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.090  -0.564   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.805  -0.151   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.805   0.674   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.090   1.087   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.519   1.087   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.344   1.087   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       2.757   0.372   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.932   1.801   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.339  -0.564   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       3.482   0.765   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       4.185   0.333   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       4.162  -0.492   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1       4.911   0.725   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.053  -0.151   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.768  -0.564   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.482  -0.151   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.196  -0.564   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.196  -1.389   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.482  -1.801   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.768  -1.389   0.000  1.00  0.00           C  
HETATM   23  F   UNL     1      -4.911  -1.801   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   10                                            
CONECT    8    7    9   10                                            
CONECT    9    8   12                                                 
CONECT   10    8    7                                                 
CONECT   11    2   16                                                 
CONECT   12    9   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   11   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   20                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END

$$$$

$$$$

$$$$
D0E7TM
  -OEChem-09301911202D

 50 51  0     1  0  0  0  0  0999 V2000
    5.7011   -2.1679    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.3742   -3.2812    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.0474   -4.3946    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.8107    0.7142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3654    1.1253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1191   -0.4548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0431   -1.2282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5004    2.4419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7683    5.4419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3590   -3.1076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7613   -1.8259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6407   -2.5099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3894   -3.4549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5479   -4.2660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2006   -2.2964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7054   -5.3343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1077   -4.0526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9871   -4.7366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7683    2.4419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6343    3.9419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8503    2.7336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3660    1.1602    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4264    1.5022    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3311    0.1608    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3698   -0.1148    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7080    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0278   -1.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9023    2.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6383    2.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6343    2.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9023    3.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7683    4.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8930    0.4228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7544   -0.1904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2906    1.8878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9201    2.6825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1254    2.3120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0278   -1.6745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6384   -1.1622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917    3.0496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6902    2.3593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6564    0.5779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0328   -1.0688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6902    4.5245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917    3.8343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1713    4.2519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6537   -1.2153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1305   -4.4781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0948   -5.4419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  2  0  0  0  0
  2 10  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  2  0  0  0  0
  3 13  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  2  0  0  0  0
  4 23  1  0  0  0  0
  4 25  1  0  0  0  0
 22  5  1  1  0  0  0
  5 42  1  0  0  0  0
 24  6  1  1  0  0  0
  6 43  1  0  0  0  0
  7 27  1  0  0  0  0
  8 30  2  0  0  0  0
  9 32  2  0  0  0  0
 11 47  1  0  0  0  0
 14 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 50  1  0  0  0  0
 19 23  1  0  0  0  0
 19 28  1  0  0  0  0
 19 30  1  0  0  0  0
 20 30  1  0  0  0  0
 20 32  1  0  0  0  0
 20 46  1  0  0  0  0
 21 29  3  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 26  1  0  0  0  0
 23 29  1  1  0  0  0
 24 25  1  0  0  0  0
 24 33  1  0  0  0  0
 25 27  1  6  0  0  0
 25 34  1  0  0  0  0
 26 35  1  0  0  0  0
 26 36  1  0  0  0  0
 26 37  1  0  0  0  0
 27 38  1  0  0  0  0
 27 39  1  0  0  0  0
 28 31  1  0  0  0  0
 28 40  1  0  0  0  0
 28 41  1  0  0  0  0
 31 32  1  0  0  0  0
 31 44  1  0  0  0  0
 31 45  1  0  0  0  0
M  END

$$$$
D0E7TU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.722   0.877   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.722   0.052   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.007  -0.361   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.707   0.052   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.707   0.877   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.007   1.289   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.422   1.289   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.136   0.877   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1       1.422   2.114   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.436  -0.361   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.190  -0.025   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.742  -0.638   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.329  -1.353   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1      -1.522  -1.181   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       2.136   0.052   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.851  -0.361   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.565   0.052   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.565   0.877   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.851   1.289   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.565  -0.550   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1      -3.565   0.275   0.000  1.00  0.00           F  
HETATM   22  F   UNL     1      -2.740  -0.550   0.000  1.00  0.00           F  
HETATM   23  F   UNL     1      -3.565  -1.375   0.000  1.00  0.00           F  
HETATM   24  O   UNL     1       2.313  -2.114   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       1.598  -1.702   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1       0.884  -2.114   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1       1.598  -0.877   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   15   19                                            
CONECT    9    7                                                      
CONECT   10    2   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   20                                            
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15    8   16                                                 
CONECT   16   15   17   24                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18    8                                                 
CONECT   20   12   21   22   23                                       
CONECT   21   20                                                      
CONECT   22   20                                                      
CONECT   23   20                                                      
CONECT   24   16   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25                                                      
CONECT   27   25                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0E7ZN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.868  -1.321   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.868  -2.146   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.154  -2.559   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.439  -2.146   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.439  -1.321   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.154  -0.909   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.725  -0.909   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.010  -1.321   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.296  -0.909   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.296  -0.084   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.010   0.329   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.725  -0.084   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.419   0.329   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.133  -0.084   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.419   1.154   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.296   1.566   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.133   1.566   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.419   1.979   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.848   1.154   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       1.133   2.391   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.562   1.566   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.316   1.231   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.868   1.844   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.455   2.559   0.000  1.00  0.00           C  
HETATM   25  S   UNL     1       2.649   2.387   0.000  1.00  0.00           S  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   16   17   18                                       
CONECT   16   15                                                      
CONECT   17   15   19   20                                            
CONECT   18   15                                                      
CONECT   19   17   21                                                 
CONECT   20   17                                                      
CONECT   21   19   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0E7ZS
  -OEChem-09301911272D

 56 59  0     0  0  0  0  0  0999 V2000
    8.4993    4.7099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    0.2892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8564    3.0151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -0.2489    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101    3.5532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103   -5.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    0.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    2.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    1.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    0.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    2.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    1.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1886    3.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -3.9656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4778    4.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -4.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -4.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7884    5.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -5.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318   -5.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6714    0.5738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5061    2.7305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0633    1.7379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2277    0.9580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2772    0.2882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8704    0.8205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9004    3.0161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3071    2.4838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1142    1.5663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9498    2.3463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815   -0.7104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7960    4.0146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -2.2104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4983    4.2965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0916    4.8288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.0204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815   -3.7104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7144   -4.5821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.0996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.0996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3777    5.6740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9810    6.4560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1991    6.0593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8848   -5.2502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2177   -6.1219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 25  1  0  0  0  0
  2 17  2  0  0  0  0
  3 18  2  0  0  0  0
  4 11  1  0  0  0  0
  4 17  1  0  0  0  0
  4 42  1  0  0  0  0
  5 12  1  0  0  0  0
  5 18  1  0  0  0  0
  5 43  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  6 22  1  0  0  0  0
  7 26  2  0  0  0  0
  8 23  2  0  0  0  0
  8 26  1  0  0  0  0
  9 23  1  0  0  0  0
  9 50  1  0  0  0  0
  9 51  1  0  0  0  0
 10 30  2  0  0  0  0
 10 31  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 32  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 33  1  0  0  0  0
 13 15  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 16  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 21 44  1  0  0  0  0
 22 24  1  0  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 47  1  0  0  0  0
 27 30  1  0  0  0  0
 27 48  1  0  0  0  0
 28 31  2  0  0  0  0
 28 49  1  0  0  0  0
 29 52  1  0  0  0  0
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
 30 55  1  0  0  0  0
 31 56  1  0  0  0  0
M  END

$$$$
D0E8AS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.540   0.156   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.540  -0.669   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.825  -1.082   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.111  -0.669   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.111   0.156   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.825   0.568   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.324   0.411   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.809  -0.257   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.324  -0.924   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1       0.674  -0.924   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.159  -0.257   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.674   0.411   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1      -3.634  -0.257   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1      -0.825   1.393   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.579  -1.709   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.984  -0.257   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       2.397  -0.971   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.221  -0.971   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.634  -0.257   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.221   0.458   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.397   0.458   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.929   1.195   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.726   1.409   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.523   1.622   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.320   1.836   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       3.069  -1.534   0.000  1.00  0.00           N  
HETATM   27  O   UNL     1       1.640  -1.534   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       0.925  -1.121   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.338  -0.407   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.513  -1.836   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.211  -0.709   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.354  -1.121   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       2.354  -0.296   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    6   12                                            
CONECT    6    5    1   14                                            
CONECT    7    1    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8    2   15                                            
CONECT   10    4   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11    5   22                                            
CONECT   13    8                                                      
CONECT   14    6                                                      
CONECT   15    9                                                      
CONECT   16   11   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   26                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   12   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24                                                      
CONECT   26   18   32                                                 
CONECT   27   28   32                                                 
CONECT   28   27   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
CONECT   32   26   33   27                                            
CONECT   33   32                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0E8UP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.625   1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.625   0.619   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.911   0.206   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.196   0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.196   1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.911   1.856   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.340   1.856   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.482   0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.482  -0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.767   0.619   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.053   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.338   0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.338   1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.053   1.856   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.767   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.767  -1.031   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.053  -0.619   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.196  -1.031   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.911  -0.619   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       0.376   0.206   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       0.376  -0.619   0.000  1.00  0.00           O  
HETATM   22  N   UNL     1       1.091   0.619   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.805   0.206   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.805  -0.619   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.520  -1.031   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.234  -0.619   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.234   0.206   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.520   0.619   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1       2.520  -1.856   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1       3.949   0.619   0.000  1.00  0.00           F  
HETATM   31  O   UNL     1       3.949  -1.031   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       4.625  -0.488   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       5.340  -0.900   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       5.038   0.227   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.911  -0.075   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1       3.196  -0.488   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    4    9   10                                            
CONECT    9    8   16   18                                            
CONECT   10    8   11   15                                            
CONECT   11   10   12   17                                            
CONECT   12   11   13   20                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    9   17                                                 
CONECT   17   16   11                                                 
CONECT   18    9   19                                                 
CONECT   19   18                                                      
CONECT   20   12   21   22                                            
CONECT   21   20                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27   31                                            
CONECT   27   26   28   30                                            
CONECT   28   27   23                                                 
CONECT   29   25                                                      
CONECT   30   27                                                      
CONECT   31   26   32                                                 
CONECT   32   31   33   34   35                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32   36                                                 
CONECT   36   35                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0E8XV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.436   1.285   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.436   0.463   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.724   0.052   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.012   0.463   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.012   1.285   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.724   1.696   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.230   0.209   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.253   0.874   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.230   1.539   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1       0.024  -0.573   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1       1.075   0.874   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.828  -0.744   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.082  -1.526   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.886  -1.696   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.436  -1.085   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.182  -0.304   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.378  -0.133   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9   11                                            
CONECT    9    8    5                                                 
CONECT   10    7   12                                                 
CONECT   11    8                                                      
CONECT   12   10   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D0E9CK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.501  -0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.357   0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.357   1.650   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       1.072   2.062   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.072   0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.786   0.825   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       2.501   0.412   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.501  -0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.215  -0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.930  -0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.930   0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.215   0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.215  -0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.930  -0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.930  -1.650   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.215  -2.062   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.501  -1.650   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2   19   23                                            
CONECT    8    5    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9                                                      
CONECT   11    8   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19    7   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22    7                                                 
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0E9IY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287  -0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287  -1.238   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572  -1.650   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858  -1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858  -0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.572   0.000   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -5.001   0.000   0.000  1.00  0.00           F  
HETATM    8  F   UNL     1      -3.572  -2.475   0.000  1.00  0.00           F  
HETATM    9  C   UNL     1      -2.143   0.000   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.714   0.000   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.714   0.000   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.429  -0.412   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       2.143   0.000   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.858  -0.412   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.572   0.000   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       4.287  -0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       5.001  -0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       5.001   0.000   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.287  -1.238   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       2.858  -1.238   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.429  -1.238   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       0.000  -1.238   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.143   0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.858   1.238   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.858   2.062   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.143   2.475   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.429   2.062   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.429   1.238   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       0.714   0.825   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    3                                                      
CONECT    9    5   10                                                 
CONECT   10    9   11   23                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   24                                            
CONECT   13   12   14   31                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   25                                            
CONECT   16   15   17   22                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   20   21                                       
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   18                                                      
CONECT   22   16                                                      
CONECT   23   10                                                      
CONECT   24   12                                                      
CONECT   25   15   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   13                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0E9JC
  -OEChem-09301911202D

 59 63  0     0  0  0  0  0  0999 V2000
    2.3589    3.1861    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.3958    2.6060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -3.7242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3958   -0.3940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9989   -0.5611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    1.1060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    0.6060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5836   -0.1988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2730    2.3612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5938   -1.4689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6051   -1.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    0.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5298    0.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5298    1.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5073   -1.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4892   -2.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3958    1.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5836    1.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279    1.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    0.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -0.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2944    2.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -1.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6266    1.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9838    3.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -1.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6481    2.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0053    3.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3374    2.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.8581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9886   -1.4319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6060   -1.9859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2552   -2.4420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0737   -2.1278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7595   -1.3092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8726   -2.3986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4244   -3.0800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1059   -2.5282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4379    1.0690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6648    1.9160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8179    2.1429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1077    1.2165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4174    0.8180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6870    2.8227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900    0.2769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6200   -1.1261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8192    1.2338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3978    3.9794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3800   -1.1261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100   -2.5290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2340    1.5679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8127    4.3135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -2.8581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 17  2  0  0  0  0
  3 33  2  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 10  1  0  0  0  0
  5 12  2  0  0  0  0
  6 12  1  0  0  0  0
  6 17  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  7 20  1  0  0  0  0
  8 13  2  0  0  0  0
  9 18  1  0  0  0  0
  9 22  1  0  0  0  0
  9 48  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 13 14  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 21  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 23 49  1  0  0  0  0
 24 28  2  0  0  0  0
 24 50  1  0  0  0  0
 25 30  1  0  0  0  0
 25 51  1  0  0  0  0
 26 31  2  0  0  0  0
 26 52  1  0  0  0  0
 27 29  2  0  0  0  0
 27 53  1  0  0  0  0
 28 29  1  0  0  0  0
 28 54  1  0  0  0  0
 29 33  1  0  0  0  0
 30 32  2  0  0  0  0
 30 55  1  0  0  0  0
 31 32  1  0  0  0  0
 31 56  1  0  0  0  0
 33 34  1  0  0  0  0
 34 57  1  0  0  0  0
 34 58  1  0  0  0  0
 34 59  1  0  0  0  0
M  END

$$$$
D0E9JL
  -OEChem-09301911172D

 36 38  0     0  0  0  0  0  0999 V2000
    2.0000   -0.2655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479    1.8036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    0.9946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6723    1.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -1.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    0.9946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    0.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    2.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -2.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -2.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0736    2.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4912    3.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -3.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -3.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4803    3.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8980    4.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -4.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8925    4.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1583    2.1503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2416    1.3576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1588   -0.1481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630   -1.7342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -1.7342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4380    2.3201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8746    3.4614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630   -3.3542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -3.3542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0969    3.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5336    4.9413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1401   -4.5442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -5.1642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3801   -4.5442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1447    5.1106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4 10  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 24  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 16  1  0  0  0  0
 11 25  1  0  0  0  0
 12 17  2  0  0  0  0
 12 26  1  0  0  0  0
 13 18  1  0  0  0  0
 13 27  1  0  0  0  0
 14 19  2  0  0  0  0
 14 28  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 20  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 21  2  0  0  0  0
 18 31  1  0  0  0  0
 19 21  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
M  END

$$$$
D0E9MO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.796  -0.038   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.796  -0.864   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       3.511  -1.276   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       4.225  -0.864   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       4.225  -0.038   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.511   0.374   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       2.082   0.374   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       1.367  -0.038   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.653   0.374   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.062  -0.038   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       0.653   1.199   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1      -0.776   0.374   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.491  -0.038   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.205   0.374   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.920  -0.038   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1      -2.205   1.199   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.673   0.297   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.225  -0.316   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.813  -1.030   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.006  -0.859   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.847   1.105   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.040   1.276   0.000  1.00  0.00           N  
HETATM   23  C   UNL     2      -0.688  -0.571   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   12                                                 
CONECT   11    9                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   17   20                                            
CONECT   16   14                                                      
CONECT   17   15   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   17   22                                                 
CONECT   22   21                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0E9PE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.156   3.574   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.745   2.859   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.920   2.858   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.506   3.571   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.918   4.287   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.743   4.288   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.506   2.143   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.681   2.143   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.268   2.858   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.681   3.571   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.919   1.428   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.506   0.714   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.681   0.714   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.269   1.428   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.269  -0.001   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.444  -0.001   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1      -2.681  -0.715   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.031  -0.715   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.206  -0.715   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.206  -1.430   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.031  -1.430   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.444  -0.715   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.031  -0.001   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.206  -0.001   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.444  -2.144   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       1.031  -2.859   0.000  1.00  0.00           O  
HETATM   27  N   UNL     1       2.269  -2.144   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       2.681  -2.859   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.506  -2.859   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.919  -3.573   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.744  -3.573   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.156  -2.859   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.744  -2.144   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.919  -2.144   0.000  1.00  0.00           C  
HETATM   35 CL   UNL     1       3.506  -4.288   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8   11                                            
CONECT    8    7    9   14                                            
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    7   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13    8                                                 
CONECT   15   13   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   21   26   27                                            
CONECT   26   25                                                      
CONECT   27   25   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   34                                            
CONECT   30   29   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   30                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0E9VJ
  -OEChem-09301911212D

 68 70  0     0  0  0  0  0  0999 V2000
    8.9282   -4.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -6.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1962    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -4.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8162    6.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    7.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5762    6.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    4.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8162    5.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    6.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1962    6.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5762    5.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1962    4.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    0.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    1.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    3.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    2.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -7.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 35  1  0  0  0  0
  2 31  1  0  0  0  0
  3 14  1  0  0  0  0
  3 30  1  0  0  0  0
  4 28  2  0  0  0  0
  5 30  2  0  0  0  0
  6 13  1  0  0  0  0
  6 20  1  0  0  0  0
  6 47  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  2  0  0  0  0
  8 26  1  0  0  0  0
  8 28  1  0  0  0  0
  8 62  1  0  0  0  0
  9 27  1  0  0  0  0
  9 30  1  0  0  0  0
  9 63  1  0  0  0  0
 10 33  2  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 38  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  2  0  0  0  0
 13 17  2  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 19  1  0  0  0  0
 17 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 25  1  0  0  0  0
 20 24  2  0  0  0  0
 20 29  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
 23 56  1  0  0  0  0
 24 28  1  0  0  0  0
 24 33  1  0  0  0  0
 25 31  2  0  0  0  0
 25 32  1  0  0  0  0
 26 27  1  0  0  0  0
 26 57  1  0  0  0  0
 26 58  1  0  0  0  0
 27 59  1  0  0  0  0
 27 60  1  0  0  0  0
 29 34  2  0  0  0  0
 29 61  1  0  0  0  0
 31 36  1  0  0  0  0
 32 35  2  0  0  0  0
 32 64  1  0  0  0  0
 33 65  1  0  0  0  0
 34 66  1  0  0  0  0
 35 37  1  0  0  0  0
 36 37  2  0  0  0  0
 36 67  1  0  0  0  0
 37 68  1  0  0  0  0
M  END

$$$$
D0EA3E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.429  -1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.429  -2.269   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.143  -2.681   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.858  -2.269   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.858  -1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.143  -1.031   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       3.572  -1.031   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1       3.572  -2.681   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       0.715  -1.031   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       2.143  -3.506   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1       0.715  -0.206   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       0.000  -1.444   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.000   0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.000   1.031   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.715   1.444   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.429   1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.429   0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.715  -0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.143   1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.858   1.031   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.858   0.206   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.572   1.444   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1      -2.143  -1.031   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       0.715   1.444   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.429   1.031   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.143   1.444   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.143   2.269   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.429   2.681   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.715   2.269   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       1.429   3.506   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       2.858   2.681   0.000  1.00  0.00           O  
HETATM   33  O   UNL     1       2.858   1.031   0.000  1.00  0.00           O  
CONECT    1    2    6    9                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   10                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    4                                                      
CONECT    9    1   11   12                                            
CONECT   10    3                                                      
CONECT   11    9   13                                                 
CONECT   12    9                                                      
CONECT   13   11   14   18                                            
CONECT   14   13   15   25                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18   22                                            
CONECT   18   17   13                                                 
CONECT   19   16   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   17   24                                            
CONECT   23   20                                                      
CONECT   24   22                                                      
CONECT   25   14   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   33                                            
CONECT   28   27   29   32                                            
CONECT   29   28   30   31                                            
CONECT   30   29   25                                                 
CONECT   31   29                                                      
CONECT   32   28                                                      
CONECT   33   27                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0EA5P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.357   1.238   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.357   0.412   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.072   0.000   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.786   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.786   1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.072   1.650   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.501   1.650   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       3.215   1.238   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1       2.501   2.475   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1       2.501   0.000   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       2.501  -0.825   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.357   0.000   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.357  -0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.786  -1.238   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.786  -2.062   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.501  -2.475   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.215  -2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.215  -1.238   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.072   0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.786   0.000   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.786  -0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.072  -1.238   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.501  -1.238   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.215  -0.825   0.000  1.00  0.00           N  
HETATM   25  O   UNL     1      -2.501  -2.062   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   12                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    4   11                                                 
CONECT   11   10   14   18                                            
CONECT   12    2   13   19                                            
CONECT   13   12   22                                                 
CONECT   14   11   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   11                                                 
CONECT   19   12   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   13                                                 
CONECT   23   21   24   25                                            
CONECT   24   23                                                      
CONECT   25   23                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0EA6L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.116   1.182   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.116   0.357   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.598  -0.056   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.313   0.357   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.313   1.182   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.598   1.594   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.027  -0.056   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.742   0.357   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.742   1.182   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.027   1.594   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.456  -0.056   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.543  -0.876   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       4.349  -1.048   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1       4.762  -0.333   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       4.210   0.280   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.831  -0.056   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.545   0.357   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.259  -0.056   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.545   1.182   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.974   0.357   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.974   1.182   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.688   1.594   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.403   1.182   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.403   0.357   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.688  -0.056   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.683  -1.800   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1      -4.762   1.800   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.048   1.388   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   16                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    8   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   26                                            
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16    2   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   20                                                 
CONECT   19   17                                                      
CONECT   20   18   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   13                                                      
CONECT   27   23   28                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0EB9M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.993   0.468   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.993  -0.357   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.708  -0.770   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       3.422  -0.357   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       3.422   0.468   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.708   0.880   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1       2.708   1.705   0.000  1.00  0.00          Cl  
HETATM    8  C   UNL     1       2.708  -1.595   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       3.422  -2.007   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       3.422  -2.832   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.708  -3.245   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       4.136  -3.245   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       4.136  -4.070   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.851  -2.832   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.278   0.880   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       1.278   1.705   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1       0.564   0.468   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.150   0.880   0.000  1.00  0.00           C  
HETATM   19  F   UNL     1       1.278  -0.770   0.000  1.00  0.00           F  
HETATM   20  C   UNL     1      -0.150   1.705   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.865   2.118   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.579   1.705   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.579   0.880   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.865   0.468   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       0.564   2.118   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       0.564   2.943   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.150   3.355   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -0.865   2.943   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -1.579   3.355   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -2.294   2.943   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.008   3.355   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.723   2.943   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.723   2.118   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.008   1.705   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.294   2.118   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.851  -3.657   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.438   3.355   0.000  1.00  0.00           C  
HETATM   38  F   UNL     1      -4.026   4.070   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1      -3.724   2.943   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1      -4.851   2.641   0.000  1.00  0.00           F  
CONECT    1    2    6   15                                            
CONECT    2    1    3   19                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    3    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   13   14   36                                       
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15    1   16   17                                            
CONECT   16   15                                                      
CONECT   17   15   18                                                 
CONECT   18   17   20   24                                            
CONECT   19    2                                                      
CONECT   20   18   21   25                                            
CONECT   21   20   22   28                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
CONECT   25   20   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   21   29                                            
CONECT   29   28   30                                                 
CONECT   30   29   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33   37                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
CONECT   36   12                                                      
CONECT   37   32   38   39   40                                       
CONECT   38   37                                                      
CONECT   39   37                                                      
CONECT   40   37                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0EC1A
  -OEChem-09301911272D

 11 11  0     0  0  0  0  0  0999 V2000
    3.3328    0.3346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0929    0.6133    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9019    0.0255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5929   -0.9255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896   -0.3346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5929   -0.9255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2839    0.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2039    0.9410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4916    0.2171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7186   -0.9410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
M  END

$$$$
D0EC3H
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572  -0.468   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572  -1.293   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.857  -1.705   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143  -1.293   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143  -0.468   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.857  -0.055   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.428  -1.705   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.714  -1.293   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.714  -0.468   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.428  -0.055   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.428   0.770   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1       0.001  -0.055   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.001   0.770   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.715   1.182   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.714   1.182   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.430   0.770   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.144   1.182   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.144   2.007   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.430   2.420   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.715   2.007   0.000  1.00  0.00           C  
HETATM   21 BR   UNL     1       0.001   2.420   0.000  1.00  0.00          Br  
HETATM   22  C   UNL     1       0.001  -1.705   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.413  -2.420   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.826  -1.705   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       2.857   1.184   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       3.572   0.771   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   22                                            
CONECT    9    8   10   12                                            
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    9   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13   16   20                                            
CONECT   15   13                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18   25                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   14   21                                            
CONECT   21   20                                                      
CONECT   22    8   23   24                                            
CONECT   23   22   24                                                 
CONECT   24   23   22                                                 
CONECT   25   17   26                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0EC3Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.682   0.970   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.682   0.145   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.032  -0.268   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.747   0.145   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.747   0.970   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.032   1.382   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.397  -0.268   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.111   0.145   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.111   0.970   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.826   1.382   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.540   0.970   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.540   0.145   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.826  -0.268   0.000  1.00  0.00           C  
HETATM   14 CL   UNL     1      -2.826  -1.093   0.000  1.00  0.00          Cl  
HETATM   15 CL   UNL     1      -1.440   1.425   0.000  1.00  0.00          Cl  
HETATM   16  C   UNL     1       1.461  -0.268   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.175   0.145   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       1.461  -1.093   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.890  -0.268   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.890  -1.093   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.604  -1.505   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.319  -1.093   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.319  -0.268   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.604   0.145   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.033  -1.505   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.397  -1.093   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.682  -1.505   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       0.032  -1.093   0.000  1.00  0.00           N  
HETATM   29  O   UNL     1      -0.682  -2.330   0.000  1.00  0.00           O  
HETATM   30  H   UNL     1       0.747  -1.505   0.000  1.00  0.00           H  
HETATM   31  F   UNL     1       5.748  -1.918   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       5.446  -0.791   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       4.621  -2.220   0.000  1.00  0.00           F  
HETATM   34  O   UNL     1      -4.098   1.616   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1      -4.510   2.330   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1      -5.335   2.330   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1      -5.748   1.616   0.000  1.00  0.00           C  
CONECT    1    2    6   15                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8   26                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   34                                            
CONECT   12   11   13                                                 
CONECT   13   12    8   14                                            
CONECT   14   13                                                      
CONECT   15    1                                                      
CONECT   16    4   17   18                                            
CONECT   17   16   19                                                 
CONECT   18   16                                                      
CONECT   19   17   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22   31   32   33                                       
CONECT   26    7   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   30                                                 
CONECT   29   27                                                      
CONECT   30   28                                                      
CONECT   31   25                                                      
CONECT   32   25                                                      
CONECT   33   25                                                      
CONECT   34   11   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0EC4Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.491  -1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.491  -2.269   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.776  -2.681   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.062  -2.269   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.062  -1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.776  -1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.205  -1.031   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.653  -1.031   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.367  -1.444   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1       0.653  -0.206   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       2.082  -1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.796  -1.444   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       3.511  -1.031   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       3.511  -0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.796   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.082  -0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.796  -2.269   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.082  -2.681   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.082  -3.506   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.796  -3.919   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.511  -3.506   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.511  -2.681   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.291  -0.211   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1      -3.098  -0.039   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.511  -0.754   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.959  -1.367   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.434   0.714   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.796   1.031   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.511   1.444   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.511   2.269   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.796   2.681   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.082   2.269   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       2.082   1.444   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1       2.796   3.506   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1       3.511   3.919   0.000  1.00  0.00           O  
HETATM   36  F   UNL     1       0.653  -2.681   0.000  1.00  0.00           F  
HETATM   37  C   UNL     1      -2.205  -2.681   0.000  1.00  0.00           C  
HETATM   38  F   UNL     1      -1.793  -3.396   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1      -2.920  -3.094   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1      -2.618  -1.967   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3   37                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   36                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    1   23   26                                            
CONECT    8    5    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9   12   16                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   28                                            
CONECT   16   15   11                                                 
CONECT   17   12   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23    7   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25    7                                                 
CONECT   27   24                                                      
CONECT   28   15   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34   31   35                                                 
CONECT   35   34                                                      
CONECT   36    4                                                      
CONECT   37    2   38   39   40                                       
CONECT   38   37                                                      
CONECT   39   37                                                      
CONECT   40   37                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END

$$$$

$$$$

$$$$
D0ED5S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  O   UNK     1      -3.572   0.000   0.000  1.00  0.00           O  
HETATM    2  C   UNK     1      -2.858   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNK     1      -2.143   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNK     1      -1.429   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNK     1      -0.714   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNK     1       0.000   0.412   0.000  1.00  0.00           C  
HETATM    7  N   UNK     1       0.714   0.000   0.000  1.00  0.00           N  
HETATM    8  N   UNK     1       1.429   0.412   0.000  1.00  0.00           N  
HETATM    9  C   UNK     1       2.143   0.000   0.000  1.00  0.00           C  
HETATM   10  C   UNK     1       2.143  -0.825   0.000  1.00  0.00           C  
HETATM   11  C   UNK     1       2.858  -1.238   0.000  1.00  0.00           C  
HETATM   12  C   UNK     1       3.572  -0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNK     1       3.572   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNK     1       2.858   0.412   0.000  1.00  0.00           C  
HETATM   15  O   UNK     1       2.858   1.238   0.000  1.00  0.00           O  
HETATM   16  O   UNK     1       0.000   1.238   0.000  1.00  0.00           O  
HETATM   17  O   UNK     1      -2.858   1.238   0.000  1.00  0.00           O  
HETATM   18  N   UNK     1      -2.143  -0.825   0.000  1.00  0.00           N  
CONECT    1    2                                                      
CONECT    2    1    3   17                                            
CONECT    3    2    4   18                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7   16                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9   15                                            
CONECT   15   14                                                      
CONECT   16    6                                                      
CONECT   17    2                                                      
CONECT   18    3                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END

$$$$

$$$$

$$$$
D0EE3P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215  -0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215  -1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.501  -1.856   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.786  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.786  -0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.930  -0.206   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.644  -0.619   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.072  -1.856   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.357  -1.444   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.357  -1.856   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.072  -1.444   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.072  -0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.357  -0.206   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.357  -0.619   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.786   0.619   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.072   1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.357   0.619   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.501   1.031   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.215   0.619   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       2.501   1.856   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       3.215  -0.206   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       3.930  -0.619   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       4.644  -0.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.644   0.619   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.930   1.031   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7                                                      
CONECT    9    4   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   19                                            
CONECT   15   14   10                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21   22                                            
CONECT   21   20   23   27                                            
CONECT   22   20                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   21                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0EE5S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.357  -1.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.357  -2.681   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.643  -3.093   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.072  -2.681   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.072  -1.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.643  -1.443   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.786  -3.093   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.643  -0.618   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.072  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.072   0.619   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.643   1.032   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.357   0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.357  -0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.786  -0.618   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.072  -0.618   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.072   1.032   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.072   1.857   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1      -2.786   0.619   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       0.786   1.032   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.583   0.818   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.032   1.510   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.513   2.151   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       0.743   1.856   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       0.029   2.268   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.029   3.093   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.686   3.506   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.400   3.093   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.400   2.268   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.686   1.856   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.115   3.506   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       1.501  -3.506   0.000  1.00  0.00           F  
HETATM   32  N   UNL     1      -2.829   3.918   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       2.747   1.923   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.829   1.297   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1       0.786  -3.918   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1       1.501  -2.681   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    4   31   35   36                                       
CONECT    8    6    9   13                                            
CONECT    9    8   10   14                                            
CONECT   10    9   11   19                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12    8   15                                            
CONECT   14    9                                                      
CONECT   15   13                                                      
CONECT   16   12   17   18                                            
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19   10   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   33   34                                       
CONECT   22   21   23                                                 
CONECT   23   22   19   24                                            
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27   32                                                 
CONECT   31    7                                                      
CONECT   32   30                                                      
CONECT   33   21                                                      
CONECT   34   21                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0EF0P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.580  -1.652   0.000  1.00  0.00           C  
HETATM    2  S   UNL     1      -2.865  -1.239   0.000  1.00  0.00           S  
HETATM    3  O   UNL     1      -3.278  -0.525   0.000  1.00  0.00           O  
HETATM    4  O   UNL     1      -2.453  -1.954   0.000  1.00  0.00           O  
HETATM    5  N   UNL     1      -2.151  -0.827   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.436  -1.239   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.722  -0.827   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.722  -0.002   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.436   0.411   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.151  -0.002   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.007   0.411   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.707  -0.002   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.707   0.823   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.707   1.648   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.007   2.061   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.722   1.648   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.722   0.823   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.422   0.411   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.136  -0.002   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.851   0.411   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.565  -0.002   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.279   0.411   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.279   1.236   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.565   1.648   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.851   1.236   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.136  -0.827   0.000  1.00  0.00           O  
HETATM   27 CL   UNL     1       3.565  -0.827   0.000  1.00  0.00          Cl  
HETATM   28  F   UNL     1       0.576   2.644   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -0.591   2.644   0.000  1.00  0.00           F  
HETATM   30  C   UNL     1      -4.333  -1.316   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -4.885  -1.929   0.000  1.00  0.00           N  
HETATM   32  N   UNL     1      -4.473  -2.644   0.000  1.00  0.00           N  
HETATM   33  N   UNL     1      -3.666  -2.472   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1      -5.706  -1.843   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.994   1.648   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1       5.405   0.936   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1       5.706   2.059   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1       4.583   2.360   0.000  1.00  0.00           F  
CONECT    1    2   30   33                                            
CONECT    2    1    3    4    5                                       
CONECT    3    2                                                      
CONECT    4    2                                                      
CONECT    5    2    6   10                                            
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    8   12   13   17                                       
CONECT   12   11   18                                                 
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   28   29                                       
CONECT   16   15   17                                                 
CONECT   17   16   11                                                 
CONECT   18   12   19                                                 
CONECT   19   18   20   26                                            
CONECT   20   19   21   25                                            
CONECT   21   20   22   27                                            
CONECT   22   21   23                                                 
CONECT   23   35   22   24                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   19                                                      
CONECT   27   21                                                      
CONECT   28   15                                                      
CONECT   29   15                                                      
CONECT   30    1   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32    1                                                 
CONECT   34   31                                                      
CONECT   35   36   37   38   23                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0EF5T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.358  -1.595   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.358  -2.420   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.073  -2.832   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.787  -2.420   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.787  -1.595   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.073  -1.182   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.502  -1.182   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       3.216  -1.595   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       3.931  -1.182   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       4.645  -1.595   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       5.359  -1.182   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       2.502  -0.357   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.356  -1.182   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.356  -0.357   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.071   0.055   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.785  -0.357   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.785  -1.182   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.071  -1.595   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1      -1.071   0.880   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.785   1.293   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.785   2.118   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.500   2.530   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.214   2.118   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.214   1.293   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.500   0.880   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.929   2.530   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.645   2.118   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1      -4.232   1.403   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -5.359   1.705   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -5.058   2.832   0.000  1.00  0.00           F  
CONECT    1    2    6   13                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10                                                      
CONECT   12    7                                                      
CONECT   13    1   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   15   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0EF6R
  -OEChem-09301911192D

 72 75  0     1  0  0  0  0  0999 V2000
    2.8602   -0.9692    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5342    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000    1.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961   -5.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2641    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3701   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3701    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    8.1301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7282   -0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    1.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4602    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2689   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2689    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9765   -1.5137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7747   -1.5044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7747    1.5044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9765    1.5137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4677    1.1408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8532   -0.4147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2550   -1.1045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6067   -2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2082   -1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0520   -1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6535   -2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2082   -4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6067   -3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6535   -3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0520   -4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0742    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4727    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7344    1.1475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932   -5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9380   -1.0559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3392   -0.3672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2683    1.5042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4712    1.5073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4592    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4592    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1502    2.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9972    3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7702    4.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3061    6.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4592    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6861    4.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3 17  1  0  0  0  0
  3 26  1  0  0  0  0
  4 19  2  0  0  0  0
  5 22  2  0  0  0  0
  6 28  2  0  0  0  0
  7 33  1  0  0  0  0
  7 36  1  0  0  0  0
  8 35  1  0  0  0  0
  8 37  1  0  0  0  0
  9 12  1  0  0  0  0
  9 16  1  0  0  0  0
  9 22  1  0  0  0  0
 10 19  1  0  0  0  0
 10 22  1  0  0  0  0
 10 25  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 38  1  0  0  0  0
 13 15  1  0  0  0  0
 13 19  1  0  0  0  0
 13 39  1  0  0  0  0
 14 18  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 17  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 16 44  1  0  0  0  0
 17 18  1  0  0  0  0
 17 45  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 20 23  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 24  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 24 54  1  0  0  0  0
 24 55  1  0  0  0  0
 25 27  1  0  0  0  0
 25 56  1  0  0  0  0
 25 57  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
 26 58  1  0  0  0  0
 27 31  2  0  0  0  0
 27 32  1  0  0  0  0
 28 59  1  0  0  0  0
 29 60  1  0  0  0  0
 29 61  1  0  0  0  0
 30 62  1  0  0  0  0
 30 63  1  0  0  0  0
 31 33  1  0  0  0  0
 31 64  1  0  0  0  0
 32 34  2  0  0  0  0
 32 65  1  0  0  0  0
 33 35  2  0  0  0  0
 34 35  1  0  0  0  0
 34 66  1  0  0  0  0
 36 67  1  0  0  0  0
 36 68  1  0  0  0  0
 36 69  1  0  0  0  0
 37 70  1  0  0  0  0
 37 71  1  0  0  0  0
 37 72  1  0  0  0  0
M  END

$$$$
D0EG3N
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.769   0.084   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.056   0.080   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.469   0.794   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.294   0.794   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.549   1.579   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.881   2.064   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.214   1.579   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.706   0.080   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.531   0.080   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.944  -0.635   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.944   0.794   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       2.531  -1.349   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.944  -2.064   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.769  -2.064   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.181  -1.349   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.769  -0.635   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       1.706  -1.349   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.221  -0.682   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.437  -0.937   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.437  -1.762   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       1.221  -2.017   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1      -1.253   0.752   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.038   0.498   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.038  -0.327   0.000  1.00  0.00           C  
HETATM   25  S   UNL     1      -1.253  -0.583   0.000  1.00  0.00           S  
HETATM   26  C   UNL     1      -2.752   0.910   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.467   0.498   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.467  -0.327   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.752  -0.740   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1      -4.181  -0.740   0.000  1.00  0.00           F  
CONECT    1    2   22   25                                            
CONECT    2    1    3                                                 
CONECT    3    4    7    2                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    3                                                 
CONECT    8    9    4                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   12   16                                            
CONECT   11    9                                                      
CONECT   12   10   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   10                                                 
CONECT   17   12   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   17                                                 
CONECT   22    1   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25   29                                            
CONECT   25   24    1                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28   24                                                 
CONECT   30   28                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0EG4F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.120   1.933   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.295   1.933   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.882   1.219   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.295   0.504   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.120   0.504   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.532   1.219   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.057   1.219   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.428   1.886   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.212   1.631   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.212   0.806   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.428   0.551   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.927   2.044   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.641   1.631   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.641   0.806   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.927   0.394   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.356   0.394   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.173  -0.234   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.725  -0.847   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.532  -0.675   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1      -0.470  -1.631   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.337  -1.803   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.889  -1.190   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.696  -1.361   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.248  -0.748   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.993   0.037   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.186   0.208   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.634  -0.405   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.242  -2.044   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.472  -1.631   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.356   1.219   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   30                                            
CONECT    7    3    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11   15                                            
CONECT   11   10    7   17                                            
CONECT   12    9   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   10                                                 
CONECT   16   14                                                      
CONECT   17   11   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   21   29                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   29                                                      
CONECT   29   20   28                                                 
CONECT   30    6                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0EH2K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.655  -0.932   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.655  -1.757   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.940  -2.169   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.226  -1.757   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.226  -0.932   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.940  -0.519   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.369  -0.519   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.369   0.306   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.511  -2.169   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.797  -1.757   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.797  -0.932   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1      -0.082  -2.169   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.082  -0.519   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.082   0.306   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.797   0.718   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.511   0.306   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.511  -0.519   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.594   0.932   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.000   0.932   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.594   1.757   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.308   2.169   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.023   1.757   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.023   0.932   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.308   0.519   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.797   0.718   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       0.797  -0.107   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       1.511  -0.519   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.226  -0.107   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.226   0.718   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       1.511   1.131   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       2.940  -0.519   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       3.655  -0.107   0.000  1.00  0.00           N  
HETATM   33  O   UNL     1       2.940  -1.344   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1       4.369  -0.519   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7                                                      
CONECT    9    4   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10   13   17                                            
CONECT   12   10                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18   19                                       
CONECT   16   15   17                                                 
CONECT   17   16   11                                                 
CONECT   18   15   20   24                                            
CONECT   19   15   25                                                 
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
CONECT   25   19   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   28   32   33                                            
CONECT   32   31   34                                                 
CONECT   33   31                                                      
CONECT   34   32                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0EH2T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.572  -0.659   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.572  -1.484   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.858  -1.897   0.000  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.143  -1.484   0.000  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.143  -0.659   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.858  -0.247   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429  -0.247   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.429   0.578   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.143   0.991   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.858   0.578   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -4.287  -1.897   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1      -0.715  -0.659   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.000  -0.247   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       0.000   0.578   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1       0.715  -0.659   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.429  -0.247   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.143  -0.659   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.143  -1.484   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.858  -1.897   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.572  -1.484   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.572  -0.659   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.858  -0.247   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.858   0.578   0.000  1.00  0.00           N  
HETATM   24 CL   UNL     1       4.287  -1.897   0.000  1.00  0.00          Cl  
HETATM   25  C   UNL     1       3.441   1.162   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.067   1.897   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.252   1.768   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.123   0.953   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   10                                            
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    6                                                 
CONECT   11    2                                                      
CONECT   12    7   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   17   23                                            
CONECT   23   22   25   28                                            
CONECT   24   20                                                      
CONECT   25   23   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0EH4P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -4.644  -0.206   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.930   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215  -0.206   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.501   0.206   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.786  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.357  -0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.357   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.072  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.786   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.501  -0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.215   0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.930  -0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.644   0.206   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       5.359  -0.206   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       4.644   1.031   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -4.644  -1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.359   0.206   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.786  -1.031   0.000  1.00  0.00           O  
CONECT    1    2   17   18                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   19                                            
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17    1                                                      
CONECT   18    1                                                      
CONECT   19    5                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D0EH6G
  -OEChem-09301911142D

 49 53  0     1  0  0  0  0  0999 V2000
    3.9010   -3.1544    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6399   -3.7943    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5331    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6357    3.2665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2612   -1.8932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838    0.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4278    2.2318    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.6518    0.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7857    0.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8395    2.0297    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2559    1.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2498   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7498   -2.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2498   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5178    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5178    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6518    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4358    3.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7857    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5337    3.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2880    1.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8395    0.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5289   -0.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5504   -0.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1967   -1.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2397   -1.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8860   -2.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9075   -2.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9505   -2.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4103   -0.6761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2749   -2.5396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2248   -2.5396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8324   -1.4871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3575   -0.6644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7732   -0.6673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1718   -1.3576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9208    0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0458    3.1626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6494    3.8555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9311    4.2702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1328    4.2672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9718    1.1885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8213    1.4057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6042    2.2552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1363   -0.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8034   -1.1467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3001   -2.6866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7149   -3.0206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2 30  1  0  0  0  0
  3 30  1  0  0  0  0
  4 18  1  0  0  0  0
  4 21  1  0  0  0  0
  5 27  1  0  0  0  0
  5 30  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 38  1  0  0  0  0
  7 17  1  0  0  0  0
  7 19  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  2  0  0  0  0
  9 20  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  2  0  0  0  0
 11 23  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 46  1  0  0  0  0
 26 28  2  0  0  0  0
 26 47  1  0  0  0  0
 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
 28 48  1  0  0  0  0
 29 49  1  0  0  0  0
M  END

$$$$
D0EH9Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.737   3.694   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.737   2.869   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.023   2.457   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.309   2.869   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.309   3.694   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.023   4.107   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.594   2.457   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.880   2.869   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.880   3.694   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.594   4.107   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.023   1.635   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.168   2.458   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.081   1.638   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.274   1.466   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.138   2.181   0.000  1.00  0.00           C  
HETATM   16  S   UNL     1      -0.414   2.794   0.000  1.00  0.00           S  
HETATM   17  C   UNL     1       0.956   2.267   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.439   1.601   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.264   1.601   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.676   0.887   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.501   0.887   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.914   1.601   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.501   2.316   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.676   2.316   0.000  1.00  0.00           N  
HETATM   25  O   UNL     1       3.913   0.175   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       2.265   0.175   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       2.676  -0.537   0.000  1.00  0.00           N  
HETATM   28  O   UNL     1       1.443   0.175   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       4.737   0.175   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.264  -1.251   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.676  -1.966   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.264  -2.680   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.676  -3.395   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.501  -3.395   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.914  -2.680   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.501  -1.966   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1       3.913  -4.107   0.000  1.00  0.00           F  
HETATM   38  C   UNL     1       1.442  -1.251   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   11                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    3                                                      
CONECT   12    8   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   12                                                 
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21   26                                            
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   21   29                                                 
CONECT   26   20   27   28                                            
CONECT   27   26   30                                                 
CONECT   28   26                                                      
CONECT   29   25                                                      
CONECT   30   27   31   38                                            
CONECT   31   30   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   37                                            
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
CONECT   37   34                                                      
CONECT   38   30                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END

$$$$

$$$$

$$$$
D0EI4B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.000  -0.412   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.000  -1.238   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.715  -1.650   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.429  -1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.429  -0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.715   0.000   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.715  -1.650   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.715  -2.475   0.000  1.00  0.00           O  
HETATM    9  N   UNL     1      -1.429  -1.238   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.715   0.000   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.715   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.429   1.238   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.143   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.143   0.000   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.858   1.238   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.858   2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.572   2.475   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.287   2.062   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.287   1.238   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.572   0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.143   0.000   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.858  -0.412   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       3.572   0.000   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.572   0.825   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       4.287   1.238   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.858  -0.412   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.143  -1.650   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.858  -1.238   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.572  -1.650   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.287  -1.238   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.287  -0.412   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       2.858   1.238   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   28                                            
CONECT    5    4    6   22                                            
CONECT    6    5    1                                                 
CONECT    7    2    8    9                                            
CONECT    8    7                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   10   27                                            
CONECT   16   14   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22    5   23                                                 
CONECT   23   22   24   29                                            
CONECT   24   23   25   32                                            
CONECT   25   24   26   33                                            
CONECT   26   25                                                      
CONECT   27   15                                                      
CONECT   28    4                                                      
CONECT   29   23   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   24                                                 
CONECT   33   25                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0EK3Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.676   1.004   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.676   0.179   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.962  -0.233   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.248   0.179   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.248   1.004   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.962   1.417   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -4.391   1.417   0.000  1.00  0.00          Cl  
HETATM    8 CL   UNL     1      -4.391  -0.233   0.000  1.00  0.00          Cl  
HETATM    9  C   UNL     1      -1.533   1.417   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.819   1.004   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.104   1.417   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.610   1.004   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.697   0.184   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.504   0.012   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.916   0.727   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.364   1.340   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.916  -0.702   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.741  -0.702   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.154   0.012   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.741   0.727   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       3.978   0.012   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       3.154  -1.417   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       2.741  -2.131   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.391   0.727   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.517   2.131   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.308   2.131   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    2                                                      
CONECT    9    5   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   25   26                                       
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16   20                                            
CONECT   16   15   12                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20   21                                            
CONECT   20   19   15                                                 
CONECT   21   19   24                                                 
CONECT   22   18   23                                                 
CONECT   23   22                                                      
CONECT   24   21                                                      
CONECT   25   11                                                      
CONECT   26   11                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0EL5B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.143   0.842   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.143   0.017   0.000  1.00  0.00           N  
HETATM    3  N   UNL     1       0.858  -0.395   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.572   0.017   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.572   0.842   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.858   1.255   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.641   1.097   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.126   0.430   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.641  -0.238   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       0.858   2.080   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       2.287   1.255   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.287   2.080   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.001   2.492   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.001   3.317   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.287   3.730   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.572   3.317   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.572   2.492   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.287  -0.395   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.287  -1.220   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.001  -1.633   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.716  -1.220   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.716  -0.395   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.001   0.017   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       3.001  -2.458   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.613  -1.255   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.325  -1.671   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.321  -2.496   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.605  -2.905   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.892  -2.489   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.896  -1.664   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.600  -3.730   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1      -1.951   0.430   0.000  1.00  0.00           N  
HETATM   33  S   UNL     1      -3.035  -0.707   0.000  1.00  0.00           S  
HETATM   34  O   UNL     1      -3.716  -0.241   0.000  1.00  0.00           O  
HETATM   35  O   UNL     1      -2.793   0.082   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1       3.714   2.083   0.000  1.00  0.00           C  
HETATM   37  N   UNL     1       2.889   2.083   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   18                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1   10                                            
CONECT    7    1    8                                                 
CONECT    8    7    9   32                                            
CONECT    9    8    2                                                 
CONECT   10    6                                                      
CONECT   11    5   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   36                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    4   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   20                                                      
CONECT   25   26   30   33                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   28                                                      
CONECT   32    8   33                                                 
CONECT   33   25   32   34   35                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   13   37                                                 
CONECT   37   36                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0EM8D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.501  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.786  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.786   0.000   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.501   0.412   0.000  1.00  0.00           N  
HETATM    7 BR   UNL     1      -3.930   0.412   0.000  1.00  0.00          Br  
HETATM    8  C   UNL     1      -1.072   0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.357   0.000   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.357   0.412   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       0.357   1.238   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1       1.072   0.000   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.786   0.412   0.000  1.00  0.00           C  
HETATM   14 PT   UNL     1       1.786   1.238   0.000  1.00  0.00          Pt  
HETATM   15  C   UNL     1       2.501   0.000   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.501  -0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.215  -1.238   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.930  -0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.930   0.000   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.215   0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.359  -0.825   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.184  -0.825   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    5    9                                                 
CONECT    9    8   10   21                                            
CONECT   10    9   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21    9   22                                                 
CONECT   22   21                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0EN2M
  -OEChem-09301911152D

 57 60  0     1  0  0  0  0  0999 V2000
    6.3412   -6.5182    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    4.9304    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6547    0.8478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5322   -1.9304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2589   -0.2748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0733   -5.5182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6092   -5.5182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    3.9793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.9304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6602    0.7432    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0724    1.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2534   -0.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8412   -0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4791    2.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0778    1.4477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3412   -2.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3412   -3.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968    3.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8412   -0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8913    3.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4901    2.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1502   -1.9304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0614    1.7613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4752   -4.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2072   -4.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    3.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2072   -5.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4752   -5.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0559    1.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3412   -5.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    5.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    6.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9393   -5.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7431   -5.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0246    0.2417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0957    2.5306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8257    0.8813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2056   -0.4777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1435    3.8412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8735    2.1920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7399   -2.1220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1047    2.3798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4598    1.9113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9382   -3.7082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7442   -3.7082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1207    1.2492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6725    1.9307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9911    2.4824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4290    6.5182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    7.1382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1890    6.5182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2493   -5.5551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4762   -4.7082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6293   -4.4812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0531   -4.4812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2062   -4.7082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4331   -5.5551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2 26  1  0  0  0  0
  2 31  1  0  0  0  0
  3 10  1  0  0  0  0
  3 23  1  0  0  0  0
  4 13  1  0  0  0  0
  4 16  1  0  0  0  0
  5 12  2  0  0  0  0
  6 27  1  0  0  0  0
  6 33  1  0  0  0  0
  7 28  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  2  0  0  0  0
  9 31  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 35  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 19  2  0  0  0  0
 14 20  1  0  0  0  0
 14 36  1  0  0  0  0
 15 21  2  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  2  0  0  0  0
 17 24  2  0  0  0  0
 17 25  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 26  1  0  0  0  0
 19 22  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 29  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 24 28  1  0  0  0  0
 24 44  1  0  0  0  0
 25 27  2  0  0  0  0
 25 45  1  0  0  0  0
 27 30  1  0  0  0  0
 28 30  2  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
 31 32  1  0  0  0  0
 32 49  1  0  0  0  0
 32 50  1  0  0  0  0
 32 51  1  0  0  0  0
 33 52  1  0  0  0  0
 33 53  1  0  0  0  0
 33 54  1  0  0  0  0
 34 55  1  0  0  0  0
 34 56  1  0  0  0  0
 34 57  1  0  0  0  0
M  END

$$$$
D0EN4B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.782   1.117   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.782   0.292   0.000  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.067  -0.121   0.000  1.00  0.00           O  
HETATM    4  C   UNL     1       0.647   0.292   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.647   1.117   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.067   1.529   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.567   1.371   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.051   0.704   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -1.567   0.037   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.780  -0.760   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.577  -0.974   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.791  -1.771   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.207  -2.354   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.410  -2.140   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.197  -1.344   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.361  -0.121   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.361  -0.946   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.076  -1.358   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.791  -0.946   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.791  -0.121   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.076   0.292   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.067   2.354   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   22                                            
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    2   10                                            
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    4   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22    6                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0EO3S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.912  -0.001   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.912  -0.826   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.198  -1.239   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.484  -0.826   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.484  -0.001   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.198   0.411   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.769   0.411   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.055  -0.001   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.769   1.236   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       0.660   0.411   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.374  -0.001   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.374  -0.826   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.089  -1.239   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.803  -0.826   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.803  -0.001   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.089   0.411   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.769  -1.239   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.769  -2.064   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.087   1.239   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1       1.262   1.239   0.000  1.00  0.00           F  
HETATM   21  F   UNL     1       2.087   2.064   0.000  1.00  0.00           F  
HETATM   22  F   UNL     1       2.912   1.239   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   17                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11   19                                            
CONECT   17    4   18                                                 
CONECT   18   17                                                      
CONECT   19   16   20   21   22                                       
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   19                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0EP0M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.270  -0.206   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.270  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.556  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.841  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.841  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.556   0.206   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.127  -1.444   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.412  -1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.302  -1.444   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.017  -1.031   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.017  -0.206   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.302   0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.412  -0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.731   0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.446  -0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.160   0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.160   1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.446   1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.731   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.985   0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.985   1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.699  -0.206   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.874   1.444   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       4.699   1.444   0.000  1.00  0.00           N  
CONECT    1    2    6   20                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   23                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20    1   21   22                                            
CONECT   21   20                                                      
CONECT   22   20                                                      
CONECT   23   17   24                                                 
CONECT   24   23                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0EP8Y
  -OEChem-09301911192D

 69 71  0     1  0  0  0  0  0999 V2000
    7.8347   -1.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8347   -3.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3347    4.1182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2988   -4.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2988   -6.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5714    6.5452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0257    3.1671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5668   -4.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6437    3.1671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    6.2316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    6.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    5.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    7.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1810    5.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1646    5.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9687    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8347   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7007    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8347    1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7007   -2.9207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1027   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9687    1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7007   -1.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7007    1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7524    4.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7469    4.9272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5668   -3.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8347    2.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5668   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3347    4.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2366    0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1537    5.8407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5659    6.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4328   -4.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4328   -5.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9712    6.1668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1396    6.6080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4114    6.9322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6128    5.2554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3410    4.9312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5016    7.4051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6356    7.5422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984    6.6762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6146    5.5703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9289    4.7517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7474    5.0659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1638   -2.6107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7041   -0.8956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5012   -0.8956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3113   -2.0283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9128   -1.3380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4318    1.3893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2377    1.3893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5002    4.2563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1773   -3.5283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7788   -2.8380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2568   -0.9576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1037   -0.7307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8768    0.1163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5466    0.6163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6997    0.3893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9266   -0.4576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7703    5.9056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8180    7.2162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0298   -4.7307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8347   -4.0407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8222   -5.8130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2207   -6.5033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2988   -7.0407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 23  1  0  0  0  0
 20  2  1  6  0  0  0
  2 66  1  0  0  0  0
  3  9  1  0  0  0  0
  3 30  1  0  0  0  0
  4 34  2  0  0  0  0
  5 35  1  0  0  0  0
  5 69  1  0  0  0  0
  6 15  2  0  0  0  0
  6 33  1  0  0  0  0
  7 28  1  0  0  0  0
  7 30  2  0  0  0  0
  8 27  1  0  0  0  0
  8 34  1  0  0  0  0
  8 65  1  0  0  0  0
  9 28  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 15  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 18 24  2  0  0  0  0
 18 29  1  0  0  0  0
 19 22  2  0  0  0  0
 19 24  1  0  0  0  0
 19 28  1  0  0  0  0
 20 23  1  0  0  0  0
 20 27  1  0  0  0  0
 20 47  1  0  0  0  0
 21 31  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 52  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 53  1  0  0  0  0
 25 26  2  0  0  0  0
 25 54  1  0  0  0  0
 26 30  1  0  0  0  0
 26 32  1  0  0  0  0
 27 55  1  0  0  0  0
 27 56  1  0  0  0  0
 29 57  1  0  0  0  0
 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
 31 60  1  0  0  0  0
 31 61  1  0  0  0  0
 31 62  1  0  0  0  0
 32 33  2  0  0  0  0
 32 63  1  0  0  0  0
 33 64  1  0  0  0  0
 34 35  1  0  0  0  0
 35 67  1  0  0  0  0
 35 68  1  0  0  0  0
M  END

$$$$
D0EQ3O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.133   0.136   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.133  -0.689   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.419  -1.102   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.295  -0.689   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.295   0.136   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.419   0.548   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.848   0.548   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.848  -1.102   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.848   1.373   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.562   1.786   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.277   1.373   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.277   0.548   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.562   0.136   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.562  -0.689   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.277  -1.102   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.277  -1.927   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.562  -2.339   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.848  -1.927   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -3.991   1.786   0.000  1.00  0.00          Cl  
HETATM   20 CL   UNL     1      -1.133  -2.339   0.000  1.00  0.00          Cl  
HETATM   21  C   UNL     1       0.909   0.688   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.573   1.441   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.247   1.355   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.716   0.516   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       2.268   1.129   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1       1.970  -0.268   0.000  1.00  0.00           N  
HETATM   27  N   UNL     1       2.767  -0.482   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       2.981  -1.279   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.351   0.101   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.398  -1.862   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.611  -2.659   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.408  -2.873   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.991  -2.289   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       3.778  -1.492   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       0.985   2.158   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1       0.270   2.571   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1       1.397   2.873   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1       1.699   1.746   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   21                                            
CONECT    6    5    1   23                                            
CONECT    7    9   13    1                                            
CONECT    8    2   14   18                                            
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   19                                            
CONECT   12   11   13                                                 
CONECT   13   12    7                                                 
CONECT   14    8   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17    8   20                                            
CONECT   19   11                                                      
CONECT   20   18                                                      
CONECT   21    5   22   24                                            
CONECT   22   21   23   35                                            
CONECT   23   22    6                                                 
CONECT   24   21   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   30   34                                            
CONECT   29   27                                                      
CONECT   30   28   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   28                                                 
CONECT   35   22   36   37   38                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0EQ3V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715  -1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.715  -0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.000   0.206   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.858  -1.444   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1       0.000  -1.444   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       0.715  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.429   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.429   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.715   1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.000   1.031   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       2.143   1.444   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       2.858   1.031   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1    7                                            
CONECT    7    6   10   14                                            
CONECT    8    3                                                      
CONECT    9    5                                                      
CONECT   10    7   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    7                                                 
CONECT   15   12   16                                                 
CONECT   16   15                                                      
MASTER        0    0    0    0    0    0    0    0   16    0   16    0
END
M  END

$$$$
D0ET2A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.294  -0.682   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.294  -1.507   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.580  -1.920   0.000  1.00  0.00           N  
HETATM    4  N   UNL     1      -1.865  -1.507   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.865  -0.682   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.580  -0.270   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.080  -1.762   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.596  -1.095   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.080  -0.427   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.580   0.555   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.825   0.357   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.041   0.612   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.041   1.437   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -0.825   1.692   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.310   1.025   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.627   0.127   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.627   1.922   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.540  -0.693   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.208  -1.178   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.961  -0.843   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.048  -0.022   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.380   0.463   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.825  -2.547   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.996   1.139   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.580   1.722   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.163   1.139   0.000  1.00  0.00           C  
HETATM   27  H   UNL     1      -2.580   2.547   0.000  1.00  0.00           H  
HETATM   28  C   UNL     1       2.629  -1.328   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1       2.146  -1.993   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1       3.294  -1.811   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1       3.112  -0.662   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8   23                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   11                                            
CONECT   10    6   24   26                                            
CONECT   11    9   12   15                                            
CONECT   12   11   13   16                                            
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16   12   18   22                                            
CONECT   17   13                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   28   19   21                                            
CONECT   21   20   22                                                 
CONECT   22   21   16                                                 
CONECT   23    7                                                      
CONECT   24   10   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   10                                                 
CONECT   27   25                                                      
CONECT   28   29   30   31   20                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0ET3L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.108   0.665   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.283   0.665   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.871   1.380   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.283   2.094   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.108   2.094   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.521   1.380   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.045   1.380   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.440   0.712   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.224   0.967   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.224   1.792   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.440   2.047   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.184  -0.072   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.891   2.277   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.645   1.941   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.731   1.121   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.485   0.785   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.152   1.270   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       4.066   2.091   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.313   2.426   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.623  -0.244   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.877  -1.029   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.325  -1.642   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.482  -1.470   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.737  -0.686   0.000  1.00  0.00           C  
HETATM   25 BR   UNL     1      -0.580  -2.426   0.000  1.00  0.00          Br  
HETATM   26  S   UNL     1      -3.345   1.381   0.000  1.00  0.00           S  
HETATM   27  O   UNL     1      -3.345   0.556   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1      -4.170   1.381   0.000  1.00  0.00           O  
HETATM   29  N   UNL     1      -3.345   2.206   0.000  1.00  0.00           N  
HETATM   30  N   UNL     1       4.170   0.899   0.000  1.00  0.00           N  
HETATM   31  O   UNL     1       3.456   2.136   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       3.456   1.311   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.741   0.899   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   26                                            
CONECT    7    3    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10    7                                                 
CONECT   12    8   20   24                                            
CONECT   13   10   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   30                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   12   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   12                                                 
CONECT   25   22                                                      
CONECT   26    6   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30   17   32                                                 
CONECT   31   32                                                      
CONECT   32   30   31   33                                            
CONECT   33   32                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0ET4U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.888  -0.914   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.475  -1.629   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.650  -1.629   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.238  -0.914   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.650  -0.200   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.475  -0.200   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.412  -0.914   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.000  -0.200   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.000  -1.629   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.825  -1.629   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.238  -2.343   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.062  -2.343   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.475  -1.629   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.062  -0.914   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.238  -0.914   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.300  -1.629   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.712  -2.343   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       3.712  -0.914   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       3.300  -0.200   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       0.821  -0.114   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.992   0.693   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.278   1.106   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.336   0.554   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.143   0.725   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.706   1.106   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.706   1.931   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.992   2.343   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.278   1.931   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1      -3.712  -0.914   0.000  1.00  0.00           F  
CONECT    1    2    6   29                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   20   23                                            
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18                                                      
CONECT   20    8   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23   28                                            
CONECT   23   22    8   24                                            
CONECT   24   23                                                      
CONECT   25   21   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   22                                                 
CONECT   29    1                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0ET9U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.868   1.927   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.868   1.102   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.154   0.689   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.439   1.102   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.439   1.927   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.154   2.339   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.725   0.689   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.639  -0.131   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -2.832  -0.303   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.419   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.971   1.025   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.252  -0.683   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.037  -0.428   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.650  -0.980   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.478  -1.787   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.693  -2.042   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.080  -1.490   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -6.091  -2.339   0.000  1.00  0.00          Cl  
HETATM   19  C   UNL     1      -1.599   0.498   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.114  -0.169   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1      -1.263   1.252   0.000  1.00  0.00           N  
HETATM   22  S   UNL     1      -0.438   1.252   0.000  1.00  0.00           S  
HETATM   23  C   UNL     1       0.387   1.252   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.438   2.077   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.438   0.427   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       0.799   0.537   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.624   0.537   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.037   1.252   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.624   1.966   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.799   1.966   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       2.862   1.252   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       3.274   0.537   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.099   0.537   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       4.512   1.252   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1      -1.449  -0.923   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1       4.662   0.388   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1       6.091   0.388   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       5.377  -0.025   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    8   11    4                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   19                                            
CONECT   11   10    7                                                 
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15                                                      
CONECT   19   10   20   21                                            
CONECT   20   19   35                                                 
CONECT   21   19   22                                                 
CONECT   22   21   23   24   25                                       
CONECT   23   22   26   30                                            
CONECT   24   22                                                      
CONECT   25   22                                                      
CONECT   26   23   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   23                                                 
CONECT   31   28   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   36                                            
CONECT   34   33                                                      
CONECT   35   20                                                      
CONECT   36   33   38                                                 
CONECT   37   38                                                      
CONECT   38   36   37                                                 
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0EU5A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.300  -0.914   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.888  -1.629   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.062  -1.629   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.650  -0.914   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.062  -0.200   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.888  -0.200   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.825  -0.914   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.412  -0.200   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.412  -1.629   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.412  -1.629   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.825  -2.343   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.650  -2.343   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.062  -1.629   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.650  -0.914   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.825  -0.914   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.888  -1.629   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.300  -2.343   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       3.300  -0.914   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       2.888  -0.200   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       0.408  -0.114   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.580   0.693   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.135   1.106   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.748   0.554   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.294   1.106   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.294   1.931   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.580   2.343   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.135   1.931   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.555   0.725   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   20   23                                            
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18                                                      
CONECT   20    8   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23   27                                            
CONECT   23   22    8   28                                            
CONECT   24   21   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   23                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0EV3G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.069  -0.378   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.783   0.034   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.498  -0.378   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       2.212   0.034   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.646   0.034   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.646   0.859   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.360   1.272   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.075   0.859   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.075   0.034   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.360  -0.378   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.789  -0.378   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.789  -1.203   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.075  -1.616   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.360  -1.203   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.783   0.859   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.773   1.986   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.948   1.986   0.000  1.00  0.00           C  
HETATM   18  H   UNL     1      -3.504  -1.616   0.000  1.00  0.00           H  
HETATM   19  C   UNL     1       2.926  -0.378   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.641   0.034   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.641   0.859   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.926   1.272   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.212   0.859   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.098  -1.185   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.918  -1.272   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.254  -0.518   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       4.331  -1.986   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1      -3.506   1.274   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.506   0.450   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1      -2.681   0.450   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -3.506  -0.376   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -4.331   0.450   0.000  1.00  0.00           F  
CONECT    1    2    5                                                 
CONECT    2    1    3   15                                            
CONECT    3    2    4                                                 
CONECT    4    3   19   23                                            
CONECT    5    1    6   10                                            
CONECT    6    5    7                                                 
CONECT    7    6    8   16   17                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12   28                                            
CONECT   12   11   13   18                                            
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15    2                                                      
CONECT   16    7                                                      
CONECT   17    7                                                      
CONECT   18   12                                                      
CONECT   19    4   20   24                                            
CONECT   20   19   21   26                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22    4                                                 
CONECT   24   19   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   20                                                 
CONECT   27   25                                                      
CONECT   28   11   29                                                 
CONECT   29   28   30   31   32                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0EV5U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.857  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.857  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.142  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.428  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.428  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.142   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.713  -1.444   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.001  -1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.001  -0.206   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.713   0.206   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.716   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.430  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.145   0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.145   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.430   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.716   1.031   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.430   2.269   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1      -0.713  -2.269   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1      -2.142  -2.269   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1      -3.571   0.206   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1       2.857   1.445   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       3.571   1.032   0.000  1.00  0.00           C  
CONECT    1    2    6   20                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   19                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   18                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   21                                            
CONECT   15   14   16   17                                            
CONECT   16   15   11                                                 
CONECT   17   15                                                      
CONECT   18    7                                                      
CONECT   19    3                                                      
CONECT   20    1                                                      
CONECT   21   14   22                                                 
CONECT   22   21                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0EV6V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  O   UNL     1      -1.785  -2.269   0.000  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.785  -1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.070  -1.031   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.356  -1.444   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.070  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.358  -1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.073  -1.444   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.073  -2.269   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.787  -2.681   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.502  -2.269   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.502  -1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.787  -1.031   0.000  1.00  0.00           C  
HETATM   13 CL   UNL     1       1.787  -0.206   0.000  1.00  0.00          Cl  
HETATM   14  O   UNL     1       0.358  -0.206   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.356   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.356   1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.070   1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.785   1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.785   0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.998  -0.647   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.822  -0.604   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.118  -1.374   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.477  -1.893   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.499   1.444   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.499   2.269   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.214   2.681   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -3.928   2.269   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.928   1.444   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.214   1.031   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.216  -1.031   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       3.627  -1.743   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       3.928  -0.620   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       2.805  -0.319   0.000  1.00  0.00           F  
CONECT    1    2                                                      
CONECT    2    1    3   20   23                                       
CONECT    3    2    4    5                                            
CONECT    4    3    6                                                 
CONECT    5    3   15   19                                            
CONECT    6    4    7   14                                            
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   30   10   12                                            
CONECT   12   11    7   13                                            
CONECT   13   12                                                      
CONECT   14    6                                                      
CONECT   15    5   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   24                                            
CONECT   19   18    5                                                 
CONECT   20    2   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22    2                                                 
CONECT   24   18   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   31   32   33   11                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0EX1T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.580  -1.526   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.755  -1.526   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.342  -0.812   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.755  -0.098   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.580  -0.098   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.992  -0.812   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.793  -2.323   0.000  1.00  0.00           C  
HETATM    8  F   UNL     1      -3.007  -3.120   0.000  1.00  0.00           F  
HETATM    9  F   UNL     1      -3.618  -2.323   0.000  1.00  0.00           F  
HETATM   10  F   UNL     1      -2.210  -2.907   0.000  1.00  0.00           F  
HETATM   11  S   UNL     1      -1.342   0.617   0.000  1.00  0.00           S  
HETATM   12  C   UNL     1      -0.628   0.204   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.087   0.617   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.801   0.204   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.516   0.617   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.841  -0.593   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.215  -0.510   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       0.087   1.442   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1      -2.057   1.029   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.930   1.331   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1       2.269   0.281   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.821   0.894   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.409   1.609   0.000  1.00  0.00           C  
HETATM   24  S   UNL     1       1.602   1.437   0.000  1.00  0.00           S  
HETATM   25  C   UNL     1       3.618   0.681   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.622   2.406   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.337   2.818   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.447   2.406   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.210   3.120   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   11                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8    9   10                                       
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    7                                                      
CONECT   11    4   12   19   20                                       
CONECT   12   11   13   16   17                                       
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   21   24                                            
CONECT   16   12                                                      
CONECT   17   12                                                      
CONECT   18   13                                                      
CONECT   19   11                                                      
CONECT   20   11                                                      
CONECT   21   15   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24   26                                            
CONECT   24   23   15                                                 
CONECT   25   22                                                      
CONECT   26   23   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0EX3N
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.644   0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.644   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.930  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.215   0.000   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.215   0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.930   1.238   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.501  -0.412   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.786   0.000   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.072  -0.412   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.786   0.825   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.357   0.000   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.357  -0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.072   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.786  -0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.501   0.000   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.215  -0.412   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       3.930   0.000   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       4.644  -0.412   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       3.215  -1.238   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17                                                      
CONECT   19   16                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D0EX5A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.364   2.276   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.364   1.451   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.351   1.038   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.065   1.451   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.065   2.276   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.351   2.688   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.977   0.899   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -0.641   0.145   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.179   0.231   0.000  1.00  0.00           C  
HETATM   10  S   UNL     1       1.850   1.196   0.000  1.00  0.00           S  
HETATM   11  C   UNL     1       2.335   1.863   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.850   2.531   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.105   3.315   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.553   3.928   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       2.912   3.487   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       3.160   1.863   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.572   1.149   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       3.160   0.434   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       4.397   1.149   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.054  -0.569   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.879  -0.569   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.364   0.098   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.148  -0.157   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.148  -0.982   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.364  -1.237   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.816  -1.467   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.730  -2.287   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.397  -2.772   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.311  -3.593   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.557  -3.928   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.890  -3.443   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.976  -2.623   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6   12                                            
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7    9   20                                            
CONECT    9    8    3                                                 
CONECT   10    4   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11    5   13                                            
CONECT   13   12   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   11   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20    8   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   21                                                 
CONECT   26   24   27                                                 
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END

$$$$

$$$$

$$$$
D0EX5C
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.761  -0.273   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.761  -1.098   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.046  -1.511   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.332  -1.098   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.332  -0.273   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.046   0.139   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.546  -0.018   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.030  -0.686   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.546  -1.353   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.800   0.766   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.607   0.938   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1      -2.248   1.380   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.862   1.723   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.310   2.336   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.669   1.894   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.383   0.139   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.097  -0.273   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.097  -1.098   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.811  -1.511   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.526  -1.098   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.526  -0.273   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.811   0.139   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.240  -1.511   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.955  -1.098   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       3.240  -2.336   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       4.669  -1.511   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   16                                            
CONECT    6    5    1                                                 
CONECT    7    1    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    7   11   12                                            
CONECT   11   10   13                                                 
CONECT   12   10                                                      
CONECT   13   11   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16    5   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   20   24   25                                            
CONECT   24   23   26                                                 
CONECT   25   23                                                      
CONECT   26   24                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0EX9O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.714   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -2.062   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -2.887   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.428  -3.300   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.714  -2.887   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.714  -2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.428  -1.650   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.428  -0.825   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.143  -0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.714  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.001  -0.825   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.714   0.412   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1       0.715  -0.412   0.000  1.00  0.00           N  
HETATM   15  S   UNL     1       1.429  -0.825   0.000  1.00  0.00           S  
HETATM   16  O   UNL     1      -2.857  -3.300   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.428  -4.125   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.143  -4.537   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.714  -4.537   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.428   0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.428   1.650   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.143   2.062   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.857   1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.857   0.825   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.143   2.887   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.428   3.300   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.428   4.125   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.143   4.537   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.857   4.125   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.857   3.300   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.429  -1.650   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       2.013  -0.242   0.000  1.00  0.00           O  
HETATM   33  O   UNL     1       2.226  -1.038   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1       1.428   0.826   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.144   0.414   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.857   0.826   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       2.857   1.651   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       2.144   2.062   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       1.428   1.651   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       0.715  -2.062   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       0.715  -2.888   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       1.429  -3.300   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       2.144  -2.888   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       2.144  -2.062   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1       1.429  -4.123   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1       0.712   2.064   0.000  1.00  0.00           C  
HETATM   47  F   UNL     1       1.125   2.779   0.000  1.00  0.00           F  
HETATM   48  F   UNL     1       1.427   1.651   0.000  1.00  0.00           F  
HETATM   49  F   UNL     1       0.300   1.349   0.000  1.00  0.00           F  
CONECT    1   14   34                                                 
CONECT    2    3    7                                                 
CONECT    3    2    4   16                                            
CONECT    4    3    5   17                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    2    8                                            
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9   20   24                                            
CONECT   11    8   12   13                                            
CONECT   12   11   14                                                 
CONECT   13   11                                                      
CONECT   14   12   15    1                                            
CONECT   15   14   31   32   33                                       
CONECT   16    3                                                      
CONECT   17    4   18   19                                            
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20   10   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   10                                                 
CONECT   25   22   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   15   40   44                                            
CONECT   32   15                                                      
CONECT   33   15                                                      
CONECT   34    1   35   39                                            
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   34   46                                            
CONECT   40   31   41                                                 
CONECT   41   40   42                                                 
CONECT   42   41   43   45                                            
CONECT   43   42   44                                                 
CONECT   44   43   31                                                 
CONECT   45   42                                                      
CONECT   46   39   47   48   49                                       
CONECT   47   46                                                      
CONECT   48   46                                                      
CONECT   49   46                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
M  END

$$$$
D0EY2Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.858   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.858   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429   0.412   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.715   0.825   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.715   1.650   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.429   2.062   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.143  -0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.143  -1.650   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.429  -2.062   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.715  -1.650   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.715  -0.825   0.000  1.00  0.00           C  
HETATM   17  H   UNL     1       0.000  -0.412   0.000  1.00  0.00           H  
HETATM   18  C   UNL     1       0.000   2.062   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.715   1.650   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       0.000   2.888   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       1.429   2.062   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.715   0.825   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.143   1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.858   2.062   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1       3.572   1.650   0.000  1.00  0.00           F  
HETATM   26  H   UNL     1      -1.429  -2.888   0.000  1.00  0.00           H  
HETATM   27  I   UNL     1       0.000  -2.062   0.000  1.00  0.00           I  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   18                                            
CONECT   10    9    5                                                 
CONECT   11    7   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   26                                            
CONECT   15   14   16   27                                            
CONECT   16   15   11   17                                            
CONECT   17   16                                                      
CONECT   18    9   19   20                                            
CONECT   19   18   21   22                                            
CONECT   20   18                                                      
CONECT   21   19   23                                                 
CONECT   22   19                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24                                                      
CONECT   26   14                                                      
CONECT   27   15                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0EY5F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.887   1.345   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.887   0.520   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.173   0.107   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.458   0.520   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.458   1.345   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.173   1.757   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -4.173   2.582   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1      -3.458   2.995   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.744   1.757   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.029   1.345   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.315   1.757   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.315   2.582   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.600   1.345   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.600   0.520   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.114   0.107   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       0.829   0.520   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.829   1.345   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.114   1.757   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.114  -0.718   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.600  -1.130   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.600  -1.955   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.114  -2.368   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.829  -1.955   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.829  -1.130   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.613  -2.210   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       2.098  -1.543   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       1.613  -0.875   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       1.868  -0.091   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1       1.868  -2.995   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       2.923  -1.543   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.507  -0.959   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.304  -1.173   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.887  -0.590   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       4.673   0.207   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       3.877   0.421   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.293  -0.163   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7                                                      
CONECT    9    5   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   15   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   19   27                                            
CONECT   25   23   26   29                                            
CONECT   26   25   27   30                                            
CONECT   27   26   24   28                                            
CONECT   28   27                                                      
CONECT   29   25                                                      
CONECT   30   26   31                                                 
CONECT   31   30   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0EY9S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.543  -0.332   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.543  -1.157   0.000  1.00  0.00           N  
HETATM    3  O   UNL     1       0.242  -1.412   0.000  1.00  0.00           O  
HETATM    4  C   UNL     1       0.727  -0.744   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.242  -0.077   0.000  1.00  0.00           N  
HETATM    6  CA  UNL     1      -1.210   0.153   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.124   0.974   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.964  -0.182   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -1.792   1.459   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.552  -0.744   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.964  -1.459   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.964  -0.030   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.552   0.685   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       0.727   0.685   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1       1.964   1.399   0.000  1.00  0.00           N  
CONECT    1    2    5    6                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    1                                                 
CONECT    6    1    7    8                                            
CONECT    7    6    9                                                 
CONECT    8    6                                                      
CONECT    9    7                                                      
CONECT   10    4   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
MASTER        0    0    0    0    0    0    0    0   15    0   15    0
END
M  END

$$$$
D0EY9Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858  -1.031   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.143  -1.444   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.429  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.715  -1.444   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.000  -1.031   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.715  -1.444   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.429  -1.031   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.143   1.031   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.858   1.444   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -1.429   1.444   0.000  1.00  0.00           O  
HETATM   14  S   UNL     1       2.143  -1.444   0.000  1.00  0.00           S  
HETATM   15  C   UNL     1       2.858  -1.031   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   14                                                 
CONECT   11    6   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14   10   15                                                 
CONECT   15   14                                                      
MASTER        0    0    0    0    0    0    0    0   15    0   15    0
END
M  END

$$$$
D0EZ5O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.689   0.949   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.025   0.537   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.025  -0.288   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.740  -0.701   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.454  -0.288   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.454   0.537   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.740   0.949   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.239  -0.543   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.724   0.124   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.239   0.791   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.494  -1.328   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.776   1.770   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.583   1.941   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.995   1.227   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.443   0.614   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.816   1.140   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.151   0.387   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1      -3.300   1.808   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.942  -1.941   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.300  -1.500   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.492   1.576   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.299   1.748   0.000  1.00  0.00           N  
CONECT    1    2   12   15                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    7   10                                            
CONECT    7    6    2                                                 
CONECT    8    5    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    6   21                                            
CONECT   11    8   19   20                                            
CONECT   12    1   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14    1                                                 
CONECT   16   14   17   18                                            
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19   11                                                      
CONECT   20   11                                                      
CONECT   21   10   22                                                 
CONECT   22   21                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0EZ6C
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.715   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.715  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.000  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.715  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.715   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.000   0.825   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1       0.000   1.650   0.000  1.00  0.00          Cl  
HETATM    8 CL   UNL     1       1.429   0.825   0.000  1.00  0.00          Cl  
HETATM    9  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.429   1.650   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.858   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.143  -0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.572   0.412   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       1.429  -0.825   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       2.143  -0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.858  -0.825   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       3.572  -0.412   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       2.858  -1.650   0.000  1.00  0.00           O  
CONECT    1    2    6    9                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   15                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    5                                                      
CONECT    9    1   10   11                                            
CONECT   10    9   12   13                                            
CONECT   11    9                                                      
CONECT   12   10   14                                                 
CONECT   13   10                                                      
CONECT   14   12                                                      
CONECT   15    4   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17                                                      
CONECT   19   17                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D0EZ6V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.669   2.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.086   2.273   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.289   2.486   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.075   3.283   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.659   3.867   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.456   3.653   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.466   2.643   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.680   1.846   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.096   1.262   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.299   1.476   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.706   1.903   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.835   1.088   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.100   0.714   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.516   1.297   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.891   2.032   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.886  -0.083   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.089  -0.297   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.494   0.286   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       0.281   1.083   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.736   0.286   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.168   0.990   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.993   0.968   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.424   1.671   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.248   1.650   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.680   2.353   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.502  -1.011   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.089  -1.726   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.736  -1.726   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.148  -1.011   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.736  -0.297   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       0.864   1.667   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       1.146  -2.438   0.000  1.00  0.00           O  
HETATM   33  P   UNL     1       0.734  -3.152   0.000  1.00  0.00           P  
HETATM   34  O   UNL     1       1.448  -3.565   0.000  1.00  0.00           O  
HETATM   35  O   UNL     1       0.321  -3.867   0.000  1.00  0.00           O  
HETATM   36  O   UNL     1       0.019  -2.740   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4   11                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    2                                                 
CONECT   11    3   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   19                                            
CONECT   15   14   11                                                 
CONECT   16   13   17                                                 
CONECT   17   16   26   30                                            
CONECT   18   19   20                                                 
CONECT   19   18   14   31                                            
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24                                                      
CONECT   26   17   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   32                                            
CONECT   29   28   30                                                 
CONECT   30   29   17                                                 
CONECT   31   19                                                      
CONECT   32   28   33                                                 
CONECT   33   32   34   35   36                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0EZ9G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.138   0.702   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.424   1.115   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.709   0.702   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.995   1.115   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.280   0.702   0.000  1.00  0.00           N  
HETATM    6  O   UNL     1      -1.995   1.940   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.709  -0.123   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.566   1.115   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.148   0.702   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.863   1.115   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1       0.148  -0.123   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.566   1.940   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.280   2.352   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.148   2.352   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.566   2.765   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.617   0.779   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.169   1.392   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.756   2.107   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.949   1.935   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.994   1.392   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.406   2.107   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.994   2.821   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.169   2.821   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.830  -0.018   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       1.247  -0.601   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1       2.545  -0.430   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.758  -1.227   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.175  -1.811   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.388  -2.607   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.185  -2.821   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.768  -2.238   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.555  -1.441   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1       4.138  -0.857   0.000  1.00  0.00           F  
HETATM   34  C   UNL     1       1.376  -1.595   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    6                                            
CONECT    5    4    8                                                 
CONECT    6    4                                                      
CONECT    7    3                                                      
CONECT    8    5    9   12                                            
CONECT    9    8   10   11                                            
CONECT   10    9   16   19                                            
CONECT   11    9                                                      
CONECT   12    8   13   14   15                                       
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15   12                                                      
CONECT   16   10   17   24                                            
CONECT   17   16   18   20                                            
CONECT   18   17   19   23                                            
CONECT   19   18   10                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   16   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27                                                 
CONECT   27   26   28   32                                            
CONECT   28   27   29   34                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27   33                                            
CONECT   33   32                                                      
CONECT   34   28                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0F0DX
  -OEChem-09301911222D

 39 40  0     0  0  0  0  0  0999 V2000
    4.2690    2.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    4.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    2.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    5.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3810    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6210    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0431    4.1181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4231    5.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244   -2.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230   -3.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -4.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 14  1  0  0  0  0
  2 19  1  0  0  0  0
  2 38  1  0  0  0  0
  3 21  2  0  0  0  0
  4 23  1  0  0  0  0
  4 39  1  0  0  0  0
  5 23  2  0  0  0  0
  6 16  1  0  0  0  0
  6 20  2  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 10 17  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 18  2  0  0  0  0
 14 20  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 19  2  0  0  0  0
 16 21  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 20 34  1  0  0  0  0
 22 23  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
M  END

$$$$
D0F0PK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.778   1.177   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.778   0.352   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.063  -0.060   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.349   0.352   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.349   1.177   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.063   1.590   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.436   0.098   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.921   0.765   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.436   1.432   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.691   2.217   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.698   2.217   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       2.136   1.518   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1       1.951   3.033   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.649  -0.699   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       1.446  -0.913   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       0.066  -1.283   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.731  -1.069   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.314  -1.653   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.101  -2.449   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.304  -2.663   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.279  -2.080   0.000  1.00  0.00           C  
HETATM   22 CL   UNL     1      -1.684  -3.033   0.000  1.00  0.00          Cl  
HETATM   23  O   UNL     1      -2.136   1.796   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.422   1.384   0.000  1.00  0.00           C  
CONECT    1    2    6   23                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   14                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9   11                                                 
CONECT   11   12   13   10                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14    7   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   19                                                      
CONECT   23    1   24                                                 
CONECT   24   23                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0F0TY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.845   1.007   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.845   0.182   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.131  -0.230   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.416   0.182   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.416   1.007   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.131   1.420   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.630   1.262   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.115   0.595   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.630  -0.072   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.885   2.047   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.131  -1.055   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.702  -0.230   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.987   0.182   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.273  -0.230   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.273  -1.055   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.442  -1.468   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.156  -1.055   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.156  -0.230   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.442   0.182   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.242  -1.876   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.049  -2.047   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.462  -1.333   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.910  -0.719   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       2.081   0.088   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       3.282  -1.246   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.834  -1.859   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       4.588  -1.524   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       4.502  -0.703   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.695  -0.532   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.359   0.222   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       5.115  -0.151   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   11                                            
CONECT    4    3    5   12                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    7                                                      
CONECT   11    3                                                      
CONECT   12    4   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20   23                                       
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   17   24                                            
CONECT   24   23                                                      
CONECT   25   22   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   25   30                                            
CONECT   30   29                                                      
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0F0VY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.318   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.318  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.604  -0.825   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.111  -0.412   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.111   0.412   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.604   0.825   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.033   0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.033  -0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.033   1.650   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.747   2.062   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.462   1.650   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.462   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.747   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.747  -0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.462  -0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.462  -1.650   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.747  -2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.033  -1.650   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -4.176   2.062   0.000  1.00  0.00          Cl  
HETATM   20 CL   UNL     1      -1.318  -2.062   0.000  1.00  0.00          Cl  
HETATM   21  C   UNL     1       0.724   0.965   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.388   1.718   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.432   1.632   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.531   0.793   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       2.083   1.406   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1       1.786   0.008   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.583  -0.205   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.796  -1.002   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.593  -1.216   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.176  -0.632   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.963   0.165   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.166   0.378   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.999  -0.788   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   21                                            
CONECT    6    5    1   23                                            
CONECT    7    9   13    1                                            
CONECT    8    2   14   18                                            
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   19                                            
CONECT   12   11   13                                                 
CONECT   13   12    7                                                 
CONECT   14    8   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17    8   20                                            
CONECT   19   11                                                      
CONECT   20   18                                                      
CONECT   21    5   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22    6                                                 
CONECT   24   21   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27                                                 
CONECT   27   26   28   32   33                                       
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   27                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0F0XC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.397   0.400   0.000  1.00  0.00           C  
HETATM    2  O   UNL     1       2.112  -0.013   0.000  1.00  0.00           O  
HETATM    3  C   UNL     1       2.725   0.539   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       2.389   1.293   0.000  1.00  0.00           N  
HETATM    5  N   UNL     1       1.569   1.207   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.643   0.064   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       3.532   0.368   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       4.084   0.981   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.024   0.549   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1       0.557  -0.756   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.739   0.137   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.453   0.549   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.167   0.137   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.167  -0.688   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.453  -1.101   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.739  -0.688   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.882  -1.101   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.596  -0.688   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.311  -1.101   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.311  -1.926   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.596  -2.338   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.882  -1.926   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.025  -2.338   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.025  -3.163   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1      -5.740  -1.926   0.000  1.00  0.00           O  
HETATM   26  F   UNL     1      -0.024  -1.101   0.000  1.00  0.00           F  
HETATM   27  C   UNL     1       4.891   0.809   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.443   1.423   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.188   2.207   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.381   2.379   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.829   1.766   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1       4.126   3.163   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       5.740   2.820   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       5.146   0.025   0.000  1.00  0.00           F  
CONECT    1    2    5    6                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    1                                                 
CONECT    6    1    9   10                                            
CONECT    7    3    8                                                 
CONECT    8    7   27   31                                            
CONECT    9    6   11                                                 
CONECT   10    6                                                      
CONECT   11    9   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   11   26                                            
CONECT   17   14   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   20   24   25                                            
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   16                                                      
CONECT   27    8   28   34                                            
CONECT   28   27   29                                                 
CONECT   29   28   30   33                                            
CONECT   30   29   31   32                                            
CONECT   31   30    8                                                 
CONECT   32   30                                                      
CONECT   33   29                                                      
CONECT   34   27                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0F1CT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.628   0.055   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.628  -0.770   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.913  -1.182   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.199  -0.770   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.199   0.055   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.913   0.468   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.484   0.468   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.659   0.468   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.072   1.182   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.055   0.055   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.770   0.468   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.484   0.055   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.484  -0.770   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.199  -1.182   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       2.913  -0.770   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       2.913   0.055   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.199   0.468   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.628  -1.182   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    8    9    5                                            
CONECT    8    7    9   10                                            
CONECT    9    8    7                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D0F1DK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.062  -0.084   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.062  -0.908   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.653  -1.321   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.367  -0.908   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.367  -0.084   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.653   0.329   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.776   0.329   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.776  -1.321   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.776   1.154   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.490   1.566   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.205   1.154   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.205   0.329   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.490  -0.084   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.490  -0.908   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.205  -1.321   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.205  -2.146   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.490  -2.558   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.776  -2.146   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.919   1.566   0.000  1.00  0.00           C  
HETATM   20 CL   UNL     1      -0.062  -2.558   0.000  1.00  0.00          Cl  
HETATM   21  H   UNL     1      -2.919  -2.558   0.000  1.00  0.00           H  
HETATM   22  N   UNL     1       2.082  -1.321   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.796  -0.908   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.796  -0.084   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       2.082   0.329   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.409   0.469   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       3.074   1.222   0.000  1.00  0.00           N  
HETATM   28  N   UNL     1       2.253   1.136   0.000  1.00  0.00           N  
HETATM   29  O   UNL     1       4.216   0.297   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       3.511  -1.321   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.511  -2.146   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.225  -0.908   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.225  -1.734   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1      -3.006   2.387   0.000  1.00  0.00           N  
HETATM   35  O   UNL     1      -3.813   2.558   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1      -4.225   1.844   0.000  1.00  0.00           C  
HETATM   37  N   UNL     1      -3.673   1.231   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   22                                            
CONECT    5    4    6   25                                            
CONECT    6    5    1                                                 
CONECT    7    9   13    1                                            
CONECT    8    2   14   18                                            
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   19                                            
CONECT   12   11   13                                                 
CONECT   13   12    7                                                 
CONECT   14    8   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17    8   20                                            
CONECT   19   11   34   37                                            
CONECT   20   18                                                      
CONECT   21   16                                                      
CONECT   22    4   23                                                 
CONECT   23   22   24   30                                            
CONECT   24   23   25   26                                            
CONECT   25   24    5   28                                            
CONECT   26   24   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   25                                                 
CONECT   29   26                                                      
CONECT   30   23   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
CONECT   34   19   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   19                                                 
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0F1FD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.009  -1.394   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.009  -2.219   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.724  -2.631   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.438  -2.219   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.438  -1.394   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.724  -0.981   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.223  -2.474   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.708  -1.806   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.223  -1.139   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.705  -0.981   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       3.533  -1.806   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       4.116  -2.390   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       2.436  -0.342   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.853   0.241   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.233  -0.129   0.000  1.00  0.00           C  
HETATM   16  S   UNL     1       3.874  -0.648   0.000  1.00  0.00           S  
HETATM   17  C   UNL     1       4.566  -0.198   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       4.353   0.599   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       3.529   0.642   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       4.765   1.313   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       5.590   1.313   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       6.003   2.027   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       5.590   2.742   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.765   2.742   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.353   2.027   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1       6.003   3.456   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1       0.724  -3.456   0.000  1.00  0.00           F  
HETATM   28  C   UNL     1      -0.705  -0.156   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.420   0.256   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.134  -0.156   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.134  -0.981   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.420  -1.394   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.849   0.256   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.563  -0.156   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1      -3.563  -0.981   0.000  1.00  0.00           O  
HETATM   36  N   UNL     1      -4.278   0.256   0.000  1.00  0.00           N  
HETATM   37  C   UNL     1      -4.491   1.053   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.288   0.840   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.075   0.043   0.000  1.00  0.00           C  
HETATM   40  O   UNL     1      -6.003   1.252   0.000  1.00  0.00           O  
HETATM   41  C   UNL     1       5.280  -0.610   0.000  1.00  0.00           C  
HETATM   42  N   UNL     1       4.455  -0.610   0.000  1.00  0.00           N  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   27                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8    5   13                                            
CONECT   10    1   28   32                                            
CONECT   11    8   12                                                 
CONECT   12   11                                                      
CONECT   13    9   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   41                                            
CONECT   18   17   19   20                                            
CONECT   19   18   15                                                 
CONECT   20   18   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23                                                      
CONECT   27    3                                                      
CONECT   28   10   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   10                                                 
CONECT   33   30   34                                                 
CONECT   34   33   35   36                                            
CONECT   35   34                                                      
CONECT   36   34   37   39                                            
CONECT   37   36   38                                                 
CONECT   38   37   39   40                                            
CONECT   39   38   36                                                 
CONECT   40   38                                                      
CONECT   41   17   42                                                 
CONECT   42   41                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D0F2BF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.898  -0.415   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       1.612  -0.828   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       2.327  -0.415   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       3.041  -0.828   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       3.756  -0.415   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       4.470  -0.828   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       4.556  -1.648   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       5.364  -1.820   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       5.776  -1.105   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       5.224  -0.492   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       0.898   0.410   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.183  -0.828   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.531  -0.415   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.246  -0.828   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.246  -1.653   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.531  -2.065   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.183  -1.653   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.960  -2.065   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.674  -1.653   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.613  -0.830   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.217  -0.269   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -4.033  -0.392   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.446  -1.107   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.144  -1.875   0.000  1.00  0.00           C  
HETATM   25  S   UNL     1      -3.356  -2.118   0.000  1.00  0.00           S  
HETATM   26  O   UNL     1      -2.974   0.519   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.262  -0.984   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.776  -1.629   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.475  -2.397   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.659  -2.519   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.498   0.290   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.140   1.033   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.317   1.095   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.959   1.838   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.424   2.519   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.247   2.458   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.605   1.714   0.000  1.00  0.00           C  
HETATM   38  F   UNL     1      -5.428   1.653   0.000  1.00  0.00           F  
CONECT    1    2   11   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7   10                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    6                                                 
CONECT   11    1                                                      
CONECT   12    1   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   19                                                 
CONECT   19   18   20   25                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23   31                                            
CONECT   23   22   24   27                                            
CONECT   24   23   25   30                                            
CONECT   25   24   19                                                 
CONECT   26   21                                                      
CONECT   27   23   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   24                                                 
CONECT   31   22   32                                                 
CONECT   32   31   33   37                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   32   38                                            
CONECT   38   37                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END

$$$$

$$$$

$$$$
D0F2KN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143  -1.499   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -2.324   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.428  -2.736   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.714  -2.324   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.714  -1.499   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.428  -1.087   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.857  -2.736   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.571  -2.324   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.286  -2.736   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.000  -2.324   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.001  -1.087   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.715  -1.499   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.430  -1.087   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.430  -0.262   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.715   0.151   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.001  -0.262   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.144  -1.499   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       0.715   0.976   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.144   0.151   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.859  -0.262   0.000  1.00  0.00           N  
HETATM   21  O   UNL     1       2.144   0.976   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       1.430   1.389   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.430   2.213   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.715   2.626   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.001   2.213   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.001   1.389   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.715   3.451   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.573   0.151   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.288  -0.262   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.002   0.151   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.002   0.976   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.288   1.389   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.573   0.976   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.716  -2.736   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1      -5.304  -3.451   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1      -6.431  -3.149   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -6.129  -2.022   0.000  1.00  0.00           F  
HETATM   38  C   UNL     1      -0.715  -0.674   0.000  1.00  0.00           C  
HETATM   39  F   UNL     1      -0.302   0.041   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1      -0.000  -1.087   0.000  1.00  0.00           F  
HETATM   41  F   UNL     1      -1.127  -1.389   0.000  1.00  0.00           F  
HETATM   42  O   UNL     1       5.716   1.389   0.000  1.00  0.00           O  
HETATM   43  C   UNL     1       6.431   0.976   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   34                                                 
CONECT   11    5   12   16   38                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15   19                                            
CONECT   15   14   16   18                                            
CONECT   16   15   11                                                 
CONECT   17   13                                                      
CONECT   18   15   22   26                                            
CONECT   19   14   20   21                                            
CONECT   20   19   28                                                 
CONECT   21   19                                                      
CONECT   22   18   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   18                                                 
CONECT   27   24                                                      
CONECT   28   20   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   42                                            
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34   10   35   36   37                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
CONECT   38   11   39   40   41                                       
CONECT   39   38                                                      
CONECT   40   38                                                      
CONECT   41   38                                                      
CONECT   42   31   43                                                 
CONECT   43   42                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
M  END

$$$$
D0F2NW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.702   1.116   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.767   0.296   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.509  -0.057   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.187   0.408   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.122   1.228   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.380   1.582   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1       2.929   0.054   0.000  1.00  0.00          Cl  
HETATM    8  N   UNL     1       0.089  -0.169   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.154  -0.989   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       0.896  -1.343   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.523  -1.455   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.298  -1.180   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.799  -1.833   0.000  1.00  0.00           C  
HETATM   14  S   UNL     1      -1.333  -2.510   0.000  1.00  0.00           S  
HETATM   15  C   UNL     1      -0.545  -2.276   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.613  -0.421   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.428  -0.314   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.929  -0.966   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.614  -1.725   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.743   0.446   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.243   1.098   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.557   1.858   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.057   2.510   0.000  1.00  0.00           N  
HETATM   24  O   UNL     1      -0.040   1.470   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.717   1.004   0.000  1.00  0.00           C  
CONECT    1   24    2    6                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4                                                      
CONECT    8    2    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   12   15                                            
CONECT   12   11   13   16                                            
CONECT   13   12   14   19                                            
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16   12   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   13                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22                                                      
CONECT   24   25    1                                                 
CONECT   25   24                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0F2OO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.466  -1.575   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.466  -2.400   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.751  -2.812   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.037  -2.400   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.037  -1.575   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.751  -1.162   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.322  -1.162   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.569  -1.498   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.017  -0.884   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.429  -0.170   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.236  -0.342   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.715   0.242   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.000  -0.170   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.714   0.242   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.714   1.067   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.000   1.480   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.715   1.067   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -0.000  -0.995   0.000  1.00  0.00          Cl  
HETATM   19  O   UNL     1       1.429   1.480   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       2.143   1.067   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.858   1.480   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.611   1.144   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       4.163   1.758   0.000  1.00  0.00           N  
HETATM   24  O   UNL     1       3.751   2.472   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       2.944   2.300   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.783   0.337   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.170  -0.215   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.341  -1.022   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.126  -1.276   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.739  -0.725   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.568   0.083   0.000  1.00  0.00           C  
HETATM   32 CL   UNL     1       2.385   0.040   0.000  1.00  0.00          Cl  
HETATM   33 CL   UNL     1       5.181   0.634   0.000  1.00  0.00          Cl  
HETATM   34  O   UNL     1      -1.725   0.600   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       2.331   2.853   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.076   3.637   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       1.524   3.024   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.181  -3.225   0.000  1.00  0.00           C  
HETATM   39  O   UNL     1      -5.181  -2.400   0.000  1.00  0.00           O  
HETATM   40  O   UNL     1      -4.466  -3.637   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   38                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   12   34                                       
CONECT   11   10    7                                                 
CONECT   12   10   13   17                                            
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   13                                                      
CONECT   19   15   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   21   35                                            
CONECT   26   22   27   31                                            
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26   33                                            
CONECT   32   27                                                      
CONECT   33   31                                                      
CONECT   34   10                                                      
CONECT   35   25   36   37                                            
CONECT   36   35   37                                                 
CONECT   37   36   35                                                 
CONECT   38    2   39   40                                            
CONECT   39   38                                                      
CONECT   40   38                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0F3BK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.541  -0.349   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.128  -1.063   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.303  -1.063   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.891  -0.349   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.303   0.366   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.128   0.366   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -2.541   1.080   0.000  1.00  0.00          Cl  
HETATM    8  N   UNL     1      -3.366  -0.349   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.891  -1.778   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.303  -2.492   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.066  -1.778   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.347  -2.492   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.172  -2.492   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.584  -1.778   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.172  -1.063   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.347  -1.063   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.069  -2.445   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.854  -2.190   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.854  -1.365   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.069  -1.110   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.521  -0.880   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       4.275  -1.216   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       3.435  -0.060   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.103   0.425   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       4.770   0.910   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.778   0.366   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.443   1.120   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.056   1.672   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -4.770   1.259   0.000  1.00  0.00           N  
HETATM   30  N   UNL     1      -4.599   0.452   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -3.969   2.492   0.000  1.00  0.00           C  
CONECT    1    2    6    8                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    1   26                                                 
CONECT    9    3   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17   20                                       
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   14                                                 
CONECT   21   19   22   23                                            
CONECT   22   21                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24                                                      
CONECT   26    8   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   26                                                 
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0F3GC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.357   3.506   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.357   2.681   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.072   2.269   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.786   2.681   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.786   3.506   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       1.072   3.919   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.357   3.919   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.072   3.506   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.072   2.681   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.357   2.269   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1      -1.786   2.269   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.786   1.444   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.501   1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.786  -0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.072   1.031   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.072   1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.072   4.744   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       2.501   3.919   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.501   2.269   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.404   0.959   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.659   0.174   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.484   0.174   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.739   0.959   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.215   1.444   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.786  -1.031   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.072  -1.444   0.000  1.00  0.00           N  
HETATM   29  O   UNL     1      -2.501  -1.444   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       3.215   2.681   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.072  -2.269   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.786  -2.681   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.786  -3.506   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1      -1.072  -3.919   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1      -0.357  -3.506   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.357  -2.681   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.072  -4.744   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4   18                                            
CONECT    4    3    5   21                                            
CONECT    5    4    6   20                                            
CONECT    6    5    1   19                                            
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    2                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   26                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   27                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    3   22   25                                            
CONECT   19    6                                                      
CONECT   20    5                                                      
CONECT   21    4   30                                                 
CONECT   22   18   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   18                                                 
CONECT   26   13                                                      
CONECT   27   15   28   29                                            
CONECT   28   27   31                                                 
CONECT   29   27                                                      
CONECT   30   21                                                      
CONECT   31   28   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   37                                            
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0F3HA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.715   0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.000  -0.206   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       0.715   0.206   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1       0.000  -1.031   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.429  -0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.429  -1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.143  -1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.858  -1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.858  -0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.143   0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.143   1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.429   1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.858   1.444   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.715  -1.444   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   20                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11   17                                            
CONECT   17   16   18   19                                            
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20    4                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0F3HP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.323  -0.247   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.323  -1.072   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.609  -1.484   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.894  -1.072   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.894  -0.247   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.609   0.166   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -3.110  -1.327   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1      -2.625  -0.659   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.110   0.008   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -1.800  -0.659   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.387   0.055   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.562   0.055   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.800   0.770   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.150  -0.659   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.675  -0.659   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.088   0.055   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.675   0.770   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.150   0.770   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.913   0.055   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.325  -0.659   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       3.150  -0.659   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.563   0.055   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.150   0.770   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.325   0.770   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1       1.913   1.484   0.000  1.00  0.00           F  
HETATM   26  C   UNL     1       4.388   0.055   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.800  -0.659   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.625  -0.659   0.000  1.00  0.00           C  
HETATM   29  H   UNL     1      -6.038  -1.484   0.000  1.00  0.00           H  
HETATM   30  O   UNL     1       6.038  -1.374   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       4.388  -1.374   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   29                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11   14   18                                            
CONECT   13   11                                                      
CONECT   14   12   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   12                                                 
CONECT   19   16   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   19   25                                            
CONECT   25   24                                                      
CONECT   26   22   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   30                                                 
CONECT   29    2                                                      
CONECT   30   28                                                      
CONECT   31   27                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0F3TB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.786   0.206   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.072  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.215   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.930  -0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.930  -1.031   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.215  -1.444   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.215   1.031   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.930   1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.644   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.644   0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.357  -0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.072   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.501   0.206   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       3.215  -0.206   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       3.215  -1.031   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       3.930   0.206   0.000  1.00  0.00           C  
HETATM   21  S   UNL     1       4.644  -0.206   0.000  1.00  0.00           S  
CONECT    1    2    5    9                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3   14                                                 
CONECT    5    1    6   10                                            
CONECT    6    5    7   13                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    1                                                 
CONECT   10    5   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    6                                                 
CONECT   14    4   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   21                                                 
CONECT   21   20                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0F3TL
  -OEChem-09301911102D

 31 33  0     0  0  0  0  0  0999 V2000
    9.2113   -0.7373    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891   -1.9734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071   -1.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3582   -1.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -2.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5661   -0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1013   -2.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -2.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5171   -0.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0524   -2.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2603   -1.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625   -3.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1053   -0.2713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9724   -2.9399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.1956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7336   -3.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6460    0.2293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5131   -2.4393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.4244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.9244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 21  1  0  0  0  0
  2 31  1  0  0  0  0
  3 21  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5 14  2  0  0  0  0
  6  9  2  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 22  1  0  0  0  0
 11 16  1  0  0  0  0
 11 23  1  0  0  0  0
 12 17  2  0  0  0  0
 12 24  1  0  0  0  0
 13 15  2  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 19  1  0  0  0  0
 15 21  1  0  0  0  0
 16 18  2  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 19 20  2  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
M  END

$$$$
D0F3VN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.072   1.031   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.357   1.444   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.357   2.269   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1       0.357   1.031   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.072   1.444   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.501   0.206   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.215  -0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.501   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.215   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.215   2.269   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.930   1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.930   0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.644  -0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.644  -1.031   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.930  -1.444   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.215  -1.031   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.786   1.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.501   1.444   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.501   2.269   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.786   2.681   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.072   2.269   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1       0.357   2.681   0.000  1.00  0.00           F  
HETATM   29 CL   UNL     1       3.215   2.681   0.000  1.00  0.00          Cl  
HETATM   30  O   UNL     1       0.357  -1.444   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       1.072  -1.031   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.786  -1.444   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       2.501  -1.031   0.000  1.00  0.00           N  
HETATM   34  O   UNL     1       1.786  -2.269   0.000  1.00  0.00           O  
HETATM   35  S   UNL     1       3.215  -1.444   0.000  1.00  0.00           S  
HETATM   36  N   UNL     1       3.930  -1.856   0.000  1.00  0.00           N  
HETATM   37  O   UNL     1       3.628  -0.729   0.000  1.00  0.00           O  
HETATM   38  O   UNL     1       2.803  -2.158   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1       4.644  -1.444   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       3.930  -2.681   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   30                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11                                                 
CONECT   11   10   23   27                                            
CONECT   12    1   13   14                                            
CONECT   13   12   18   22                                            
CONECT   14   12   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15                                                      
CONECT   17   15                                                      
CONECT   18   13   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   13                                                 
CONECT   23   11   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   11   28                                            
CONECT   28   27                                                      
CONECT   29   25                                                      
CONECT   30    4   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   34                                            
CONECT   33   32   35                                                 
CONECT   34   32                                                      
CONECT   35   33   36   37   38                                       
CONECT   36   35   39   40                                            
CONECT   37   35                                                      
CONECT   38   35                                                      
CONECT   39   36                                                      
CONECT   40   36                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0F4AW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.525  -0.414   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.525  -1.239   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.811  -1.651   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.096  -1.239   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.096  -0.414   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.811  -0.001   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.310  -0.159   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.795  -0.826   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.310  -1.494   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.620  -0.826   0.000  1.00  0.00           C  
HETATM   11  F   UNL     1      -1.811   0.824   0.000  1.00  0.00           F  
HETATM   12  F   UNL     1      -1.811  -2.476   0.000  1.00  0.00           F  
HETATM   13  O   UNL     1      -0.382  -1.651   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.333  -1.239   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       1.047  -1.651   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.762  -1.239   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.762  -0.414   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.047  -0.001   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.333  -0.414   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1       1.047   0.824   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.762   1.236   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.587   1.236   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.842   2.021   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.174   2.506   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1       1.507   2.021   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       3.626   2.276   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.433   2.104   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.178   2.889   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       2.476  -1.651   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       2.476  -2.476   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.191  -2.889   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       3.905  -2.476   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       3.905  -1.651   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.191  -1.239   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.620  -2.889   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   12                                            
CONECT    4    3    5   13                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   11                                            
CONECT    7    1    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8                                                      
CONECT   11    6                                                      
CONECT   12    3                                                      
CONECT   13    4   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   29                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   14                                                 
CONECT   20   18   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
CONECT   26   23   27   28                                            
CONECT   27   26   28                                                 
CONECT   28   27   26                                                 
CONECT   29   16   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   35                                            
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0F4DI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.345  -0.378   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.369   0.034   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.084  -0.378   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.798   0.034   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.060   0.034   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.060   0.859   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.774   1.272   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.488   0.859   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.488   0.034   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.774  -0.378   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.203  -0.378   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.203  -1.203   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.488  -1.616   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.774  -1.203   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.369   0.859   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.187   1.986   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.361   1.986   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -3.917   0.034   0.000  1.00  0.00          Cl  
HETATM   19  F   UNL     1      -3.917  -1.616   0.000  1.00  0.00           F  
HETATM   20  C   UNL     1       2.513  -0.378   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.227   0.034   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.227   0.859   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.513   1.272   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.798   0.859   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.684  -1.185   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.505  -1.272   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.840  -0.518   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       3.917  -1.986   0.000  1.00  0.00           O  
CONECT    1    2    5                                                 
CONECT    2    1    3   15                                            
CONECT    3    2    4                                                 
CONECT    4    3   20   24                                            
CONECT    5    1    6   10                                            
CONECT    6    5    7                                                 
CONECT    7    6    8   16   17                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12   18                                            
CONECT   12   11   13   19                                            
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15    2                                                      
CONECT   16    7                                                      
CONECT   17    7                                                      
CONECT   18   11                                                      
CONECT   19   12                                                      
CONECT   20    4   21   25                                            
CONECT   21   20   22   27                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23    4                                                 
CONECT   25   20   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   21                                                 
CONECT   28   26                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0F4GT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.579  -0.878   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.865  -0.466   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.150  -0.878   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.436  -0.466   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.721  -0.878   0.000  1.00  0.00           N  
HETATM    6  O   UNL     1      -2.436   0.359   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.150  -1.703   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.007  -0.466   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.007   0.359   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.292  -0.878   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.292  -1.703   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1       0.422  -0.466   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.137  -0.878   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.292   0.772   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.292   1.597   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.007   2.009   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.721   1.597   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.721   0.772   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.137  -1.703   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       0.422  -2.116   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1       1.851  -2.116   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       1.851  -2.941   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.137  -3.353   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.137  -4.178   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       1.851  -4.591   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       2.566  -4.178   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.566  -3.353   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.280  -4.591   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.994  -4.178   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.994  -3.353   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.280  -2.941   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.835   0.249   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.655   0.335   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.827   1.142   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.112   1.554   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       0.499   1.002   0.000  1.00  0.00           C  
HETATM   37  N   UNL     1       2.440   1.694   0.000  1.00  0.00           N  
HETATM   38  C   UNL     1       2.104   2.447   0.000  1.00  0.00           C  
HETATM   39  S   UNL     1       1.284   2.361   0.000  1.00  0.00           S  
HETATM   40  C   UNL     1       2.517   3.162   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       3.342   3.162   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       3.754   3.876   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       3.342   4.591   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       2.517   4.591   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1       2.104   3.876   0.000  1.00  0.00           C  
HETATM   46  O   UNL     1       3.754   2.447   0.000  1.00  0.00           O  
HETATM   47  C   UNL     1       4.579   2.447   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    6                                            
CONECT    5    4    8                                                 
CONECT    6    4                                                      
CONECT    7    3                                                      
CONECT    8    5    9   10                                            
CONECT    9    8   14   18                                            
CONECT   10    8   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   13   32                                            
CONECT   13   12   19                                                 
CONECT   14    9   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17    9                                                 
CONECT   19   13   20   21                                            
CONECT   20   19                                                      
CONECT   21   19   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   22   31                                            
CONECT   28   26   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   27                                                 
CONECT   32   12   33   36                                            
CONECT   33   32   34                                                 
CONECT   34   33   35   37                                            
CONECT   35   34   36   39                                            
CONECT   36   35   32                                                 
CONECT   37   34   38                                                 
CONECT   38   37   39   40                                            
CONECT   39   38   35                                                 
CONECT   40   38   41   45                                            
CONECT   41   40   42   46                                            
CONECT   42   41   43                                                 
CONECT   43   42   44                                                 
CONECT   44   43   45                                                 
CONECT   45   44   40                                                 
CONECT   46   41   47                                                 
CONECT   47   46                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
M  END

$$$$
D0F4IF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.000  -1.238   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.715  -1.650   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.429  -1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.429  -0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.715   0.000   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.715   0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.715  -1.650   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.715  -2.475   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1      -1.429  -1.238   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.715   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.715   0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.429   1.238   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.143   0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.143   0.000   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.858   1.238   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.858   2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.572   2.475   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.287   2.062   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.287   1.238   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.572   0.825   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.143   0.000   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.858  -0.412   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       3.572   0.000   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.572   0.825   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       4.287   1.238   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -2.858  -0.412   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   23                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    2    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   11   28                                            
CONECT   17   15   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23    5   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26                                                      
CONECT   28   16                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0F4MN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786  -0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.501  -1.856   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.786  -2.269   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072  -1.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072  -1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.357  -2.269   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.357  -1.856   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.357  -1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.357  -0.619   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.786   0.206   0.000  1.00  0.00           N  
HETATM   12  S   UNL     1      -1.072   0.619   0.000  1.00  0.00           S  
HETATM   13  C   UNL     1      -0.357   1.031   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.484   1.333   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1      -0.659  -0.096   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       0.357   0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.072   1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.072   1.856   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.357   2.269   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.357   1.856   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       1.786   0.619   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       2.501   1.031   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.501   1.856   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       1.786   2.269   0.000  1.00  0.00           O  
CONECT    1    2    6   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   10                                            
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    6                                                 
CONECT   11    1   12                                                 
CONECT   12   11   13   14   15                                       
CONECT   13   12   16   20                                            
CONECT   14   12                                                      
CONECT   15   12                                                      
CONECT   16   13   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19   24                                            
CONECT   19   18   20                                                 
CONECT   20   19   13                                                 
CONECT   21   17   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0F4NB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.908  -0.732   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       1.572  -1.221   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.328  -0.890   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       2.419  -0.070   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       1.755   0.419   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.999   0.088   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.216   0.143   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.800  -0.440   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       4.596  -0.227   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       4.810   0.570   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       4.227   1.154   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.430   0.940   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.756  -1.264   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       4.527  -1.560   0.000  1.00  0.00           N  
HETATM   15  S   UNL     1       5.046  -0.918   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1      -0.064  -1.065   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.604  -0.533   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.318  -0.945   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.072  -0.610   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.624  -1.223   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.211  -1.937   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.404  -1.766   0.000  1.00  0.00           C  
HETATM   23  S   UNL     1      -2.285   0.187   0.000  1.00  0.00           S  
HETATM   24  O   UNL     1      -1.488   0.401   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1      -2.499   0.984   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.082  -0.026   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.666   0.557   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.462   0.344   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.676  -0.453   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -4.093  -1.037   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -3.296  -0.823   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.452   1.354   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.035   1.937   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.832   1.724   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.046   0.927   0.000  1.00  0.00           C  
CONECT    1    2    6   16                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10   15                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    8   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    9                                                 
CONECT   16    1   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   18                                                 
CONECT   23   19   24   25   26                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23   27   31                                            
CONECT   27   26   28   32                                            
CONECT   28   27   29   35                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   27   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   28                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0F4TB
  -OEChem-09301911292D

 50 52  0     0  0  0  0  0  0999 V2000
    8.9282    3.8450    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282    3.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9282    3.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8501    2.9276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4516    2.2373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742    0.7624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728    1.4527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1403    2.2624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388    2.9527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082   -0.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067   -0.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -3.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    5.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2382    3.3081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  9  1  0  0  0  0
  2 43  1  0  0  0  0
  3 44  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 36  1  0  0  0  0
  6 11  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 39  1  0  0  0  0
 19 23  2  0  0  0  0
 19 40  1  0  0  0  0
 20 24  1  0  0  0  0
 20 41  1  0  0  0  0
 21 25  2  0  0  0  0
 21 42  1  0  0  0  0
 22 26  2  0  0  0  0
 22 45  1  0  0  0  0
 23 26  1  0  0  0  0
 23 46  1  0  0  0  0
 24 27  2  0  0  0  0
 24 47  1  0  0  0  0
 25 27  1  0  0  0  0
 25 48  1  0  0  0  0
 26 49  1  0  0  0  0
 27 50  1  0  0  0  0
M  END

$$$$
D0F4VD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.838   0.646   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.838  -0.176   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.126  -0.587   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.414  -0.176   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.414   0.646   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.126   1.058   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.632  -0.430   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.149   0.235   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.632   0.901   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1      -0.378  -1.212   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1       0.673   0.235   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.426  -1.383   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.680  -2.164   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.484  -2.335   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.034  -1.724   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.780  -0.943   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.976  -0.771   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.126   1.880   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1       1.738  -3.117   0.000  1.00  0.00          Cl  
HETATM   20  F   UNL     1       2.838  -1.895   0.000  1.00  0.00           F  
HETATM   21  C   UNL     1      -1.412   2.292   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.412   3.117   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   18                                            
CONECT    7    4    8   10                                            
CONECT    8    7    9   11                                            
CONECT    9    8    5                                                 
CONECT   10    7   12                                                 
CONECT   11    8                                                      
CONECT   12   10   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    6   21                                                 
CONECT   19   14                                                      
CONECT   20   15                                                      
CONECT   21   18   22                                                 
CONECT   22   21                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0F4YX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.056  -0.151   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.771   0.262   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.485  -0.151   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       2.200   0.262   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.658   0.262   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.658   1.087   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.373   1.499   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.087   1.087   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.087   0.262   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.373  -0.151   0.000  1.00  0.00           C  
HETATM   11  H   UNL     1      -1.785   2.213   0.000  1.00  0.00           H  
HETATM   12  H   UNL     1      -0.960   2.213   0.000  1.00  0.00           H  
HETATM   13  C   UNL     1      -2.801  -0.151   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.801  -0.976   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.087  -1.389   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.373  -0.976   0.000  1.00  0.00           C  
HETATM   17  H   UNL     1      -3.516  -1.389   0.000  1.00  0.00           H  
HETATM   18  O   UNL     1       0.771   1.087   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.914  -0.151   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.629   0.262   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.629   1.087   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.914   1.499   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.200   1.087   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.914  -0.976   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.629  -1.389   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       4.343  -0.976   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       4.343  -0.151   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.629  -2.213   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.518   1.502   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.518   0.677   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -2.693   0.677   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -3.518  -0.148   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -4.343   0.677   0.000  1.00  0.00           F  
CONECT    1    2    5                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4                                                 
CONECT    4    3   19   23                                            
CONECT    5    1    6   10                                            
CONECT    6    5    7                                                 
CONECT    7    6    8   11   12                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9    5   16                                            
CONECT   11    7                                                      
CONECT   12    7                                                      
CONECT   13    9   14   29                                            
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   10                                                 
CONECT   17   14                                                      
CONECT   18    2                                                      
CONECT   19    4   20   24                                            
CONECT   20   19   21   27                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22    4                                                 
CONECT   24   19   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   20                                                 
CONECT   28   25                                                      
CONECT   29   13   30                                                 
CONECT   30   29   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0F5HC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.357  -3.048   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.357  -3.873   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.357  -4.285   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.072  -3.873   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.072  -3.048   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.357  -2.635   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.786  -4.285   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.501  -3.873   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       3.215  -4.285   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.930  -3.873   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       3.930  -3.048   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       3.215  -2.635   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.501  -3.048   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.644  -2.635   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.072  -2.635   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.786  -3.048   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.501  -2.635   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.786  -3.873   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.501  -1.810   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.215  -1.398   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.930  -1.810   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.930  -2.635   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.215  -3.048   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.644  -1.398   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.215  -0.573   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.215   0.252   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.215   1.077   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.548   1.562   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.803   2.347   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -3.628   2.347   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -3.883   1.562   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.112   3.014   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.318   3.014   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1      -1.493   3.014   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1      -1.238   3.799   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.905   4.284   0.000  1.00  0.00           C  
HETATM   37  N   UNL     1      -2.573   3.799   0.000  1.00  0.00           N  
HETATM   38  C   UNL     1       0.357  -5.110   0.000  1.00  0.00           C  
HETATM   39  F   UNL     1       1.182  -5.110   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1       0.357  -5.935   0.000  1.00  0.00           F  
HETATM   41  F   UNL     1      -0.468  -5.110   0.000  1.00  0.00           F  
HETATM   42  C   UNL     1      -1.906   5.110   0.000  1.00  0.00           C  
HETATM   43  F   UNL     1      -2.731   5.110   0.000  1.00  0.00           F  
HETATM   44  F   UNL     1      -1.906   5.935   0.000  1.00  0.00           F  
HETATM   45  F   UNL     1      -1.081   5.110   0.000  1.00  0.00           F  
CONECT    1    2    6   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   38                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11                                                      
CONECT   15    1   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   19   23                                            
CONECT   18   16                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   17                                                 
CONECT   24   21                                                      
CONECT   25   20   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30   33                                            
CONECT   30   29   31   32                                            
CONECT   31   30   27                                                 
CONECT   32   30                                                      
CONECT   33   29   34   37                                            
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37   42                                            
CONECT   37   36   33                                                 
CONECT   38    3   39   40   41                                       
CONECT   39   38                                                      
CONECT   40   38                                                      
CONECT   41   38                                                      
CONECT   42   36   43   44   45                                       
CONECT   43   42                                                      
CONECT   44   42                                                      
CONECT   45   42                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
M  END

$$$$
D0F5MF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.500   0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.500   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.071   0.000   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.071   0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   1.238   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.215  -0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.357   1.238   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.357   0.825   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.357   0.000   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.357  -0.412   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       1.072  -0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.072   1.238   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.786   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.501   1.238   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.501   2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.786   2.475   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.072   2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.215   0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.929   0.000   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.644  -0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.644  -1.238   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.929  -1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.215  -1.238   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -5.358  -1.650   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.358  -2.475   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.073  -1.238   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.072  -1.238   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.786  -1.650   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.501  -1.238   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.501  -0.412   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.786   0.000   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.215   0.000   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       3.930  -0.412   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       4.644   0.000   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.644   0.825   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.930   1.238   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1       5.358   1.238   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1       6.073   0.825   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2   20   24                                            
CONECT    8    5    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   28   32                                            
CONECT   13    9   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   15   33   37                                            
CONECT   20    7   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23    7                                                 
CONECT   25   22   26   27                                            
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   12   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   12                                                 
CONECT   33   19   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37   38                                            
CONECT   37   36   19                                                 
CONECT   38   36   39                                                 
CONECT   39   38                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0F5ND
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.709  -1.587   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.709  -2.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.075  -2.667   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.560  -2.000   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.075  -1.332   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.424  -1.175   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.138  -1.587   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.138  -2.412   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.424  -2.825   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.385  -2.000   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.798  -2.714   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.623  -2.714   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.035  -2.000   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.623  -1.285   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.798  -1.285   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.424  -0.350   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.138   0.063   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.138   0.888   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.853  -0.350   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.471   1.373   0.000  1.00  0.00           C  
HETATM   21  S   UNL     1      -1.726   2.157   0.000  1.00  0.00           S  
HETATM   22  C   UNL     1      -2.550   2.157   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.805   1.373   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.035   2.825   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.686   1.118   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.383  -0.570   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       2.097  -0.158   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       1.795  -1.285   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1       0.668  -0.983   0.000  1.00  0.00           F  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    1                                                 
CONECT    6    1    7   16                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    4   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10   26                                            
CONECT   16    6   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   20   23                                            
CONECT   19   17                                                      
CONECT   20   18   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   18                                                 
CONECT   24   22                                                      
CONECT   25   20                                                      
CONECT   26   15   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END

$$$$

$$$$

$$$$
D0F5NQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.428   0.412   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.713   0.825   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.001   0.412   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.716   0.825   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       1.430   0.412   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       0.001  -0.412   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.142   0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.430  -0.412   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       2.144  -0.825   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       2.859  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.859   0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.144   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.142   1.650   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.857   2.062   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.571   1.650   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.571   0.825   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.857   0.412   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.857  -0.412   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.286   2.062   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1      -5.000   1.650   0.000  1.00  0.00           F  
HETATM   21  F   UNL     1      -4.286   2.888   0.000  1.00  0.00           F  
HETATM   22  F   UNL     1      -5.000   2.475   0.000  1.00  0.00           F  
HETATM   23  C   UNL     1      -3.571  -0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.571  -1.650   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.857  -2.062   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.142  -1.650   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.142  -0.825   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.857  -2.888   0.000  1.00  0.00           C  
HETATM   29  H   UNL     1       3.573   0.825   0.000  1.00  0.00           H  
HETATM   30  N   UNL     1       2.857  -1.238   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       3.571  -1.650   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.286  -1.238   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       5.000  -1.650   0.000  1.00  0.00           O  
CONECT    1    2    7                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4    8   12                                            
CONECT    6    3                                                      
CONECT    7    1   13   17                                            
CONECT    8    5    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   30                                            
CONECT   11   10   12   29                                            
CONECT   12   11    5                                                 
CONECT   13    7   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16    7   18                                            
CONECT   18   17   23   27                                            
CONECT   19   15   20   21   22                                       
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   19                                                      
CONECT   23   18   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   18                                                 
CONECT   28   25                                                      
CONECT   29   11                                                      
CONECT   30   10   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0F5TR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.868  -1.321   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.868  -2.146   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.154  -2.559   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.439  -2.146   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.439  -1.321   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.154  -0.909   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.725  -0.909   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.010  -1.321   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.296  -0.909   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.296  -0.084   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.010   0.329   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.725  -0.084   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.419   0.329   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.133  -0.084   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.419   1.154   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.296   1.566   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.133   1.566   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.419   1.979   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.848   1.154   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       1.133   2.391   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.562   1.566   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.316   1.231   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.868   1.844   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.455   2.559   0.000  1.00  0.00           C  
HETATM   25  S   UNL     1       2.649   2.387   0.000  1.00  0.00           S  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   16   17   18                                       
CONECT   16   15                                                      
CONECT   17   15   19   20                                            
CONECT   18   15                                                      
CONECT   19   17   21                                                 
CONECT   20   17                                                      
CONECT   21   19   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0F6NT
  -OEChem-09301911112D

 46 49  0     0  0  0  0  0  0999 V2000
    5.5963    1.0094    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.8596    1.6785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3564    0.7306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8564    2.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8564    2.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1654    1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3564   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5474    1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1165    1.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8532    1.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4904   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2224   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021    1.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4904   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2224   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3564   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8107    1.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590    2.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    0.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2079    1.7296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431    0.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0186    0.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5538    2.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9696    0.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5049    1.7296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7128    0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8254    0.4619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6050    0.6276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3417    2.0602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5621    2.2259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9534   -0.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7594   -0.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9534   -2.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7594   -2.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3564   -2.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2879    2.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1550   -0.0235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7472    2.1444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6142   -0.5242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5578   -0.0235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4249    2.6450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    0.5598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0985   -0.5242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9656    2.1444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3024    0.5598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  2  9  1  0  0  0  0
  2 17  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 13  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 14  1  0  0  0  0
 11 32  1  0  0  0  0
 12 15  2  0  0  0  0
 12 33  1  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 16  2  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 20  1  0  0  0  0
 18 37  1  0  0  0  0
 19 21  2  0  0  0  0
 19 38  1  0  0  0  0
 20 24  2  0  0  0  0
 20 39  1  0  0  0  0
 21 24  1  0  0  0  0
 21 40  1  0  0  0  0
 22 25  1  0  0  0  0
 22 41  1  0  0  0  0
 23 26  2  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 27  2  0  0  0  0
 25 44  1  0  0  0  0
 26 27  1  0  0  0  0
 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
M  END

$$$$
D0F6VD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.240  -1.753   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.240  -2.578   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.525  -2.991   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.810  -2.578   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.810  -1.753   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.525  -1.341   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.165  -3.093   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.361  -2.909   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.003  -2.166   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.361  -1.423   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.165  -1.239   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.349  -0.435   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.153  -0.777   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.969  -0.900   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.483  -0.255   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.182   0.513   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.366   0.635   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.148  -0.009   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.696   1.158   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.512   1.035   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.026   1.680   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.725   2.448   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.909   2.571   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.395   1.926   0.000  1.00  0.00           C  
HETATM   25 CL   UNL     1       0.579   2.049   0.000  1.00  0.00          Cl  
HETATM   26 CL   UNL     1       3.240   3.093   0.000  1.00  0.00          Cl  
HETATM   27  N   UNL     1      -2.525  -0.516   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1   27                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10    5   12                                            
CONECT   12   11                                                      
CONECT   13   10   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   19   25                                            
CONECT   25   24                                                      
CONECT   26   22                                                      
CONECT   27    6                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0F7CA
  -OEChem-09301911272D

 58 63  0     1  0  0  0  0  0999 V2000
    9.4778    3.0670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8135    4.5556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1206    1.3722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1601   -0.4483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4493   -1.6050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1660   -0.4526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -4.9824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4563    2.8608    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1672    4.0175    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1242    3.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8350    4.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7670    1.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1887    4.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8100    2.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8315    2.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1636    1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4743    0.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4528    0.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8064    0.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8280    0.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4708   -1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1171   -0.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -3.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8613   -1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -4.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -3.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -2.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -4.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -5.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0423    2.3993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7531    3.5561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5067    3.1172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6711    3.8971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0663    5.3371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3086    5.0895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2276    5.0171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1777    1.7177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9596    1.3209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3563    2.1029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3165    4.8304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5820    4.3516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0608    3.6171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6389    3.1182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5570    1.9125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6454    0.0386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6353    0.8853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7238   -0.9886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2720   -1.5914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -3.1724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.3278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -4.7924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -5.6370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -3.1495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -4.8153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 14  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 40  1  0  0  0  0
  3 14  2  0  0  0  0
  3 18  1  0  0  0  0
  4  6  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 21  1  0  0  0  0
  5 23  2  0  0  0  0
  6 26  2  0  0  0  0
  7 27  1  0  0  0  0
  7 30  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  1  0  0  0
  8 34  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  1  0  0  0
  9 35  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 47  1  0  0  0  0
 16 17  1  0  0  0  0
 16 48  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 49  1  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 20 50  1  0  0  0  0
 21 22  2  0  0  0  0
 22 24  1  0  0  0  0
 22 26  1  0  0  0  0
 23 51  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  2  0  0  0  0
 25 27  1  0  0  0  0
 25 29  2  0  0  0  0
 26 52  1  0  0  0  0
 27 31  2  0  0  0  0
 28 30  1  0  0  0  0
 28 53  1  0  0  0  0
 29 32  1  0  0  0  0
 29 54  1  0  0  0  0
 30 55  1  0  0  0  0
 31 33  1  0  0  0  0
 31 56  1  0  0  0  0
 32 33  2  0  0  0  0
 32 57  1  0  0  0  0
 33 58  1  0  0  0  0
M  END

$$$$
D0F7DS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.812  -0.686   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.812  -1.511   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.097  -1.923   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.383  -1.511   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.383  -0.686   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.097  -0.273   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.402  -1.766   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.887  -1.098   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.402  -0.431   0.000  1.00  0.00           C  
HETATM   10 CL   UNL     1      -2.526  -0.273   0.000  1.00  0.00          Cl  
HETATM   11  C   UNL     1       0.657   0.354   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.464   0.525   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.719   1.310   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.167   1.923   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.360   1.752   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.105   0.967   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.526   1.482   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       1.712  -1.098   0.000  1.00  0.00           O  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   18                                            
CONECT    9    8    5   11                                            
CONECT   10    1                                                      
CONECT   11    9   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   13                                                      
CONECT   18    8                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D0F7NL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.258   0.151   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.258  -0.674   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.544  -1.087   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.829  -0.674   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.829   0.151   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.544   0.563   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.115  -1.087   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.400  -0.674   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.686  -1.087   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.029  -0.674   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.710  -1.139   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.499  -0.896   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.800  -0.128   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.387   0.587   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.572   0.710   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.033   0.148   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.136  -1.420   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.831  -0.976   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.623  -0.177   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1      -0.686  -1.912   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       3.546  -1.388   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       3.546  -2.213   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.974  -1.087   0.000  1.00  0.00           C  
HETATM   24  F   UNL     1      -4.561  -1.801   0.000  1.00  0.00           F  
HETATM   25  F   UNL     1      -5.688  -1.499   0.000  1.00  0.00           F  
HETATM   26  F   UNL     1      -5.386  -0.372   0.000  1.00  0.00           F  
HETATM   27  C   UNL     1      -3.544   1.388   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1      -4.369   1.388   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -3.544   2.213   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -2.719   1.388   0.000  1.00  0.00           F  
HETATM   31  O   UNL     1       4.259  -0.975   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       5.688  -0.975   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.974  -1.388   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   23                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   27                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   20                                            
CONECT   10    9   11   16                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   19                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   10                                                 
CONECT   17   12   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   13                                                 
CONECT   20    9                                                      
CONECT   21   18   22   31                                            
CONECT   22   21                                                      
CONECT   23    2   24   25   26                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23                                                      
CONECT   27    6   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
CONECT   31   21   33                                                 
CONECT   32   33                                                      
CONECT   33   31   32                                                 
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0F7UB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.291  -0.589   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.291  -1.414   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.576  -1.827   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.862  -1.414   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.862  -0.589   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.576  -0.177   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.147  -0.177   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.433  -0.589   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.433  -1.414   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.718  -1.827   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.004  -1.414   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.289  -1.827   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.425  -1.414   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.425  -0.589   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.289  -0.177   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.004  -0.589   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.139  -0.177   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.893  -0.512   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.445   0.101   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.033   0.815   0.000  1.00  0.00           C  
HETATM   21  S   UNL     1       1.226   0.644   0.000  1.00  0.00           S  
HETATM   22  C   UNL     1       3.261  -0.022   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.866   0.539   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.804   1.362   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.123   1.827   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       2.334   1.583   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       4.609   0.181   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.291   0.646   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.229   1.469   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.486   1.827   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.893  -1.337   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   14   18   21                                            
CONECT   18   17   19   31                                            
CONECT   19   18   20   22                                            
CONECT   20   19   21   26                                            
CONECT   21   20   17                                                 
CONECT   22   19   23                                                 
CONECT   23   22   24   27                                            
CONECT   24   23   25   30                                            
CONECT   25   24   26                                                 
CONECT   26   25   20                                                 
CONECT   27   23   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   24                                                 
CONECT   31   18                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0F8AB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -5.462  -1.716   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.748  -1.303   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.033  -1.716   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.319  -1.303   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.494  -1.303   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.276  -0.508   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.683   0.066   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.494   0.066   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.712  -0.730   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.968   0.478   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.254   0.066   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.461   0.478   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.175   0.066   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.890   0.478   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.890   1.303   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.175   1.716   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.461   1.303   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.604   0.066   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       3.319   0.478   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       3.319   1.303   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.604   1.716   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       2.604   2.541   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -6.176  -1.303   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.176  -0.478   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.891  -0.066   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -7.606  -0.478   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -7.606  -1.303   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.891  -1.716   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.320  -1.716   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.320  -2.541   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.606  -2.953   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.891  -2.541   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.033   1.716   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.748   1.303   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1       5.462   1.716   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1       6.176   1.303   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       6.176   0.478   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       6.891   0.066   0.000  1.00  0.00           C  
HETATM   39  N   UNL     1       7.606   0.478   0.000  1.00  0.00           N  
HETATM   40  C   UNL     1       7.606   1.303   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       6.891   1.716   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       8.320   1.716   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       8.320   2.541   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       7.606   2.953   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1       6.891   2.541   0.000  1.00  0.00           C  
CONECT    1    2   23                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    4                                                 
CONECT   10    7   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16   21                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   14   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   33                                            
CONECT   21   20   15   22                                            
CONECT   22   21                                                      
CONECT   23    1   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   23   32                                            
CONECT   29   27   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   28                                                 
CONECT   33   20   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37   41                                            
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41   42                                            
CONECT   41   40   36   45                                            
CONECT   42   40   43                                                 
CONECT   43   42   44                                                 
CONECT   44   43   45                                                 
CONECT   45   44   41                                                 
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
M  END

$$$$
D0F8BF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.717  -0.867   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.717  -1.692   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.002  -2.105   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.288  -1.692   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.288  -0.867   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.002  -0.455   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.427  -0.455   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.141  -0.867   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1       0.427   0.370   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.856  -0.455   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.609  -0.790   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1       3.162  -0.177   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.749   0.537   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.942   0.366   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.431  -0.455   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.781  -1.597   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.168  -2.149   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.339  -2.956   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.124  -3.211   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.737  -2.659   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.565  -1.852   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.517   0.366   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1      -3.324   0.537   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.737  -0.177   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.185  -0.790   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.004   1.322   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.452   1.935   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.645   1.764   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       1.390   0.979   0.000  1.00  0.00           N  
HETATM   30  F   UNL     1       0.427  -2.105   0.000  1.00  0.00           F  
HETATM   31  C   UNL     1       2.707   2.720   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       2.155   3.333   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       3.514   2.891   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.660   1.291   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.432  -2.105   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1      -1.723  -3.333   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -3.660  -2.814   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1      -3.141  -0.877   0.000  1.00  0.00           F  
CONECT    1    2    6   15                                            
CONECT    2    1    3   35                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   30                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   14                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   26                                            
CONECT   14   13   10   29                                            
CONECT   15    1   22   25                                            
CONECT   16   11   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   15   23                                                 
CONECT   23   22   24   34                                            
CONECT   24   23   25                                                 
CONECT   25   24   15                                                 
CONECT   26   13   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   14                                                 
CONECT   30    4                                                      
CONECT   31   27   32   33                                            
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   23                                                      
CONECT   35   36   37   38    2                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END

$$$$

$$$$
D0F8KE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.302   1.209   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.302   0.384   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       3.017  -0.028   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       3.731   0.384   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       3.731   1.209   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       3.017   1.622   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.017   2.447   0.000  1.00  0.00           C  
HETATM    8  F   UNL     1       3.731   2.859   0.000  1.00  0.00           F  
HETATM    9  F   UNL     1       2.302   2.859   0.000  1.00  0.00           F  
HETATM   10  C   UNL     1       3.017  -0.853   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       3.731  -1.266   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       3.731  -2.091   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       3.017  -2.503   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       4.446  -2.503   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.446  -3.328   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       5.160  -2.091   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.588   1.622   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.588   2.447   0.000  1.00  0.00           O  
HETATM   19  N   UNL     1       0.873   1.209   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       0.159   1.622   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.073   2.442   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.734   2.614   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.147   1.899   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.595   1.286   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.147   3.328   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.944   1.686   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.527   2.269   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.324   2.056   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.537   1.259   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.954   0.675   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.157   0.889   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.335   1.046   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1      -4.335   0.221   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -5.160   1.046   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -4.335   1.871   0.000  1.00  0.00           F  
CONECT    1    2    6   17                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   10                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8    9                                            
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    3   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12                                                      
CONECT   14   12   15   16                                            
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17    1   18   19                                            
CONECT   18   17                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24   26                                            
CONECT   24   23   20                                                 
CONECT   25   22                                                      
CONECT   26   23   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   29   33   34   35                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0F8LE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.731  -3.286   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.731  -2.461   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.017  -3.698   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.302  -3.286   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.302  -2.461   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.017  -2.048   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.017  -1.223   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.302  -0.811   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.302   0.014   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.588   0.427   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.588   1.252   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.080   1.736   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.175   2.521   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.000   2.521   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.255   1.736   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.552   3.134   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.359   2.963   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.614   2.178   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.062   1.565   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.864   1.482   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.588  -3.698   0.000  1.00  0.00           C  
HETATM   22 CL   UNL     1      -2.017  -4.523   0.000  1.00  0.00          Cl  
HETATM   23  C   UNL     1      -3.446  -3.698   0.000  1.00  0.00           C  
HETATM   24 CL   UNL     1      -2.317   0.780   0.000  1.00  0.00          Cl  
HETATM   25  C   UNL     1       0.310   3.189   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.130   3.102   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.615   3.770   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       2.435   3.684   0.000  1.00  0.00           N  
HETATM   29  O   UNL     1       1.279   4.523   0.000  1.00  0.00           O  
HETATM   30  S   UNL     1       2.649   2.887   0.000  1.00  0.00           S  
HETATM   31  O   UNL     1       2.066   2.303   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       3.446   2.673   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       3.232   3.470   0.000  1.00  0.00           O  
CONECT    1    2    3   23                                            
CONECT    2    1    6                                                 
CONECT    3    1    4   22                                            
CONECT    4    3    5   21                                            
CONECT    5    4    6                                                 
CONECT    6    5    2    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13   20                                            
CONECT   13   12   14   25                                            
CONECT   14   13   15   16                                            
CONECT   15   14   11   19                                            
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   15   24                                            
CONECT   20   12                                                      
CONECT   21    4                                                      
CONECT   22    3                                                      
CONECT   23    1                                                      
CONECT   24   19                                                      
CONECT   25   13   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   30                                                 
CONECT   29   27                                                      
CONECT   30   28   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0F8PG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.419   0.055   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.419  -0.770   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.296  -1.182   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.010  -0.770   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.010   0.055   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.296   0.468   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.725  -1.182   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.439  -0.770   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       2.439   0.055   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.725   0.468   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.154   0.468   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.868   0.055   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.868  -0.770   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.582  -1.182   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       5.297  -0.770   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       5.297   0.055   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.582   0.468   0.000  1.00  0.00           C  
HETATM   18  S   UNL     1      -1.133   0.468   0.000  1.00  0.00           S  
HETATM   19  N   UNL     1      -1.848   0.880   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1      -0.721   1.182   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.546  -0.247   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.562   0.468   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.277   0.880   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.991   0.468   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.745   0.803   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.297   0.190   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.884  -0.524   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.077  -0.353   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.494  -0.936   0.000  1.00  0.00           C  
HETATM   30  S   UNL     2      -4.091   0.989   0.000  1.00  0.00           S  
CONECT    1    2    6   18                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    1   19   20   21                                       
CONECT   19   18   22                                                 
CONECT   20   18                                                      
CONECT   21   18                                                      
CONECT   22   19   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   24   29                                            
CONECT   29   28                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0F8XU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.676   0.949   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.676   0.124   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.962  -0.288   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.248   0.124   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.248   0.949   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.962   1.361   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -4.391   1.361   0.000  1.00  0.00          Cl  
HETATM    8 CL   UNL     1      -4.391  -0.288   0.000  1.00  0.00          Cl  
HETATM    9  C   UNL     1      -1.533   1.361   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.819   0.949   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.104   1.361   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.610   0.949   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.697   0.129   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.504  -0.043   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.916   0.671   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.364   1.284   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.916  -0.757   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.741  -0.757   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.154  -0.043   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.741   0.671   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.104   2.187   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       3.978  -0.043   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       3.154  -1.472   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       2.741  -2.187   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.391   0.671   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    2                                                      
CONECT    9    5   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   21                                            
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16   20                                            
CONECT   16   15   12                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20   22                                            
CONECT   20   19   15                                                 
CONECT   21   11                                                      
CONECT   22   19   25                                                 
CONECT   23   18   24                                                 
CONECT   24   23                                                      
CONECT   25   22                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0F8XZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072   0.825   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       0.357  -0.825   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       1.072  -0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.072   0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.357   0.825   0.000  1.00  0.00           C  
HETATM   11  S   UNL     1       1.786  -0.825   0.000  1.00  0.00           S  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    8                                                      
MASTER        0    0    0    0    0    0    0    0   11    0   11    0
END
M  END

$$$$
D0F9GL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.868  -1.321   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.868  -2.146   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.154  -2.559   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.439  -2.146   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.439  -1.321   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.154  -0.909   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.725  -0.909   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.010  -1.321   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.296  -0.909   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.296  -0.084   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.010   0.329   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.725  -0.084   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.419   0.329   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.133  -0.084   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.419   1.154   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.296   1.566   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.133   1.566   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.419   1.979   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.848   1.154   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       1.133   2.391   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.562   1.566   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.316   1.231   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.868   1.844   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.455   2.559   0.000  1.00  0.00           C  
HETATM   25  S   UNL     1       2.649   2.387   0.000  1.00  0.00           S  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   16   17   18                                       
CONECT   16   15                                                      
CONECT   17   15   19   20                                            
CONECT   18   15                                                      
CONECT   19   17   21                                                 
CONECT   20   17                                                      
CONECT   21   19   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0F9QC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.238  -0.701   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.238  -1.526   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.523  -1.939   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.809  -1.526   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.809  -0.701   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.523  -0.289   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.952  -1.939   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.667  -1.526   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.094  -0.289   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.380  -0.701   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.335  -0.289   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.335   0.536   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.380   0.949   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.094   0.536   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.049   0.949   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.764   0.536   0.000  1.00  0.00           C  
HETATM   17  S   UNL     1       1.850  -0.284   0.000  1.00  0.00           S  
HETATM   18  C   UNL     1       2.657  -0.456   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       3.069   0.259   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.517   0.872   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       2.689   1.679   0.000  1.00  0.00           O  
HETATM   22  S   UNL     1       2.992  -1.209   0.000  1.00  0.00           S  
HETATM   23  C   UNL     1       3.890   0.345   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.225   1.099   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.046   1.185   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.740   1.766   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       5.381   1.939   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.667  -0.701   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.381  -1.939   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.375  -0.322   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       5.192  -0.236   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       4.040  -1.073   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7   28   29                                            
CONECT    9    5   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20   23                                            
CONECT   20   19   16   21                                            
CONECT   21   20                                                      
CONECT   22   18                                                      
CONECT   23   30   19   24                                            
CONECT   24   23   25   26                                            
CONECT   25   24   27                                                 
CONECT   26   24                                                      
CONECT   27   25                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30   31   32   23                                            
CONECT   31   30                                                      
CONECT   32   30                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0F9RK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.563  -0.044   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.563  -0.869   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.779  -1.124   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.294  -0.456   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.779   0.211   0.000  1.00  0.00           N  
HETATM    6  O   UNL     1      -3.231   0.441   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.565   1.008   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.768   1.222   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.148   1.591   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.945   1.378   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.231  -1.354   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.984  -1.018   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.652  -1.503   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.566  -2.324   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.812  -2.659   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.144  -2.174   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.881  -1.171   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.056  -1.171   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.356  -0.456   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.056   0.258   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.881   0.258   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.181  -0.456   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.594  -1.171   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.594   0.258   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.006  -0.456   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.185   0.638   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.612   0.852   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.826   1.649   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.242   2.232   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.555   2.018   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.623   1.862   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       1.836   2.659   0.000  1.00  0.00           O  
HETATM   33  N   UNL     1       2.206   1.279   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1       3.003   1.492   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.415   0.778   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.239   0.778   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1       4.652   1.493   0.000  1.00  0.00           O  
HETATM   38  O   UNL     1       4.652   0.064   0.000  1.00  0.00           O  
CONECT    1    2    5    6                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   17   21                                       
CONECT    5    4    1    7                                            
CONECT    6    1                                                      
CONECT    7    5    8    9                                            
CONECT    8    7   26   30                                            
CONECT    9    7   10                                                 
CONECT   10    9                                                      
CONECT   11    2   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    4   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20    4                                                 
CONECT   22   19   23   24   25                                       
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25   22                                                      
CONECT   26    8   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29    8                                                 
CONECT   31   28   32   33                                            
CONECT   32   31                                                      
CONECT   33   31   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37   38                                            
CONECT   37   36                                                      
CONECT   38   36                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0F9TY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.837  -1.225   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.173  -1.714   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.583  -1.384   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.674  -0.564   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.010  -0.074   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.746  -0.405   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.430  -0.233   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.507  -1.014   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.224  -1.431   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.842  -0.878   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.507  -0.119   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.682  -0.203   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.394  -2.242   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.182  -2.501   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.800  -1.948   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.630  -1.137   0.000  1.00  0.00           C  
HETATM   17  H   UNL     1      -4.807   0.654   0.000  1.00  0.00           H  
HETATM   18  C   UNL     1       2.095  -0.722   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.850  -0.391   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.942   0.429   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.277   0.918   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.522   0.587   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       3.656   0.841   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       4.371   0.429   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.085   0.841   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       5.085   1.666   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.371   2.079   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.656   1.666   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       5.800   2.079   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       5.800   2.904   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.085   3.316   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.371   2.904   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       2.942   2.079   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1      -1.593  -1.556   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.307  -1.143   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.985  -1.536   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.307  -3.316   0.000  1.00  0.00           C  
HETATM   38  N   UNL     1      -4.482  -3.316   0.000  1.00  0.00           N  
CONECT    1    2    6   34                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4   18   22                                            
CONECT    8    9   12   36                                            
CONECT    9    8   10   13                                            
CONECT   10    9   11   16                                            
CONECT   11   10   12   17                                            
CONECT   12   11    8                                                 
CONECT   13    9   14                                                 
CONECT   14   13   15   37                                            
CONECT   15   14   16                                                 
CONECT   16   15   10                                                 
CONECT   17   11                                                      
CONECT   18    7   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21    7                                                 
CONECT   23   20   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28   32                                            
CONECT   28   27   23   33                                            
CONECT   29   26   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   28                                                      
CONECT   34    1   35                                                 
CONECT   35   34   36                                                 
CONECT   36    8   35                                                 
CONECT   37   14   38                                                 
CONECT   38   37                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0FA2L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.712  -0.475   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.888  -0.475   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.475   0.239   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.888   0.954   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.712   0.954   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.125   0.239   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -1.650   0.239   0.000  1.00  0.00           S  
HETATM    8  N   UNL     1      -0.825   0.239   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -1.650   1.064   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1      -1.650  -0.586   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.412  -0.475   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.412   0.954   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.412   0.954   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.825   0.239   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.650   0.239   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.062   0.954   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.650   1.668   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.825   1.668   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.888   0.954   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       3.300   1.668   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.300   0.239   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.125   1.668   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.125   0.239   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.125  -1.190   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.127  -0.888   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.327  -1.088   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.260  -1.668   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.975  -1.256   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.103  -0.125   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.866  -0.248   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.506  -0.847   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.660  -0.723   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       0.171  -1.059   0.000  1.00  0.00           C  
CONECT    1    2    6   24                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8    9   10                                       
CONECT    8    7   11   12                                            
CONECT    9    7                                                      
CONECT   10    7                                                      
CONECT   11    8   25   29   33                                       
CONECT   12    8   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16   20   21                                            
CONECT   20   19   22                                                 
CONECT   21   19   23                                                 
CONECT   22   20                                                      
CONECT   23   21                                                      
CONECT   24    1                                                      
CONECT   25   11   26                                                 
CONECT   26   25   27   32                                            
CONECT   27   26   28                                                 
CONECT   28   27   31   33                                            
CONECT   29   11   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30   28                                                 
CONECT   32   30   26                                                 
CONECT   33   11   28                                                 
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0FA3G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.107  -0.938   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.107  -1.763   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.392  -2.175   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.322  -1.763   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.322  -0.938   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.392  -0.525   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.107  -2.018   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       1.592  -1.350   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       1.107  -0.683   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.821  -0.270   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.536  -0.683   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.250  -0.270   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       3.965  -0.683   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       4.679  -0.270   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.694   0.032   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.107   0.746   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.694   1.461   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.131   1.461   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.543   0.746   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.131   0.032   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1      -0.543   2.175   0.000  1.00  0.00           F  
HETATM   22  C   UNL     1      -1.821  -2.175   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.965  -1.508   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.536  -1.763   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.536  -0.938   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.250  -0.525   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -3.965  -0.938   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.965  -1.763   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.250  -2.175   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.679  -0.525   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   22                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   10   15                                       
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   23                                            
CONECT   14   13                                                      
CONECT   15    9   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18                                                      
CONECT   22    2   24                                                 
CONECT   23   13                                                      
CONECT   24   22   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0FA5D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.070   2.213   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.070   1.389   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.356   0.976   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.359   1.389   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.359   2.213   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.356   2.626   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.785   0.976   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.785   0.151   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.070  -0.262   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.499  -0.262   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.070  -1.087   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.356  -1.499   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.359  -1.087   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.359  -0.262   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.356   0.151   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.073  -1.499   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.073   2.626   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.073   3.451   0.000  1.00  0.00           O  
HETATM   19  N   UNL     1       1.788   2.213   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.788   1.389   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.502   0.976   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.216   1.389   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.216   2.213   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.502   2.626   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.931   2.626   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       4.645   2.213   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1       3.931   3.451   0.000  1.00  0.00           O  
HETATM   28  N   UNL     1       1.073  -2.324   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       1.788  -2.736   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.502  -2.324   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.502  -1.499   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       1.788  -1.087   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1      -3.214   0.151   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.785  -1.499   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.216  -2.736   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1       2.804  -3.451   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1       2.502  -2.324   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1       3.629  -2.022   0.000  1.00  0.00           F  
HETATM   39  C   UNL     1      -3.931  -0.262   0.000  1.00  0.00           C  
HETATM   40  F   UNL     1      -3.518  -0.976   0.000  1.00  0.00           F  
HETATM   41  F   UNL     1      -4.645  -0.674   0.000  1.00  0.00           F  
HETATM   42  F   UNL     1      -4.343   0.453   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   17                                            
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8   11   15                                            
CONECT   10    8   33                                                 
CONECT   11    9   12   34                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14    9                                                 
CONECT   16   13   28   32                                            
CONECT   17    5   18   19                                            
CONECT   18   17                                                      
CONECT   19   17   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   19                                                 
CONECT   25   26   27   23                                            
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   16   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   16                                                 
CONECT   33   10   39                                                 
CONECT   34   11                                                      
CONECT   35   30   36   37   38                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
CONECT   39   33   40   41   42                                       
CONECT   40   39                                                      
CONECT   41   39                                                      
CONECT   42   39                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D0FB1Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.429   2.269   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.429   1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.143   1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.858   1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.858   2.269   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.143   2.681   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.143   0.206   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.429  -0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.429  -1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.143  -1.444   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.858  -1.031   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.858  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.715  -1.444   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       0.715  -2.269   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1       0.000  -1.031   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1       2.143  -2.269   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.715  -1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.429  -1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.143  -1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.143  -2.269   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.429  -2.681   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.715  -2.269   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.429  -0.206   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.715   0.206   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.715   1.031   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.429   1.444   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.143   1.031   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.429   2.269   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1      -2.858   1.444   0.000  1.00  0.00           O  
HETATM   31 CL   UNL     1       0.000   1.444   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11   16                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    9   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   17                                                 
CONECT   16   10                                                      
CONECT   17   15   18   22                                            
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   18   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   31                                            
CONECT   26   25   27   29                                            
CONECT   27   26   28   30                                            
CONECT   28   27   23                                                 
CONECT   29   26                                                      
CONECT   30   27                                                      
CONECT   31   25                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0FB3R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.316  -1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.316  -2.269   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.030  -2.681   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.745  -2.269   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.745  -1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.030  -1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.459  -1.031   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.459  -0.206   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.745   0.206   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.030  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.316   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.316   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.030   1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.030   2.269   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.316   2.681   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.398   2.269   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.398   1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.316   3.506   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.398   3.919   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.113   3.506   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.113   2.681   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.827   3.919   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.542   3.506   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.542   2.681   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.827   2.269   0.000  1.00  0.00           C  
HETATM   26  H   UNL     1      -1.113   1.856   0.000  1.00  0.00           H  
HETATM   27  C   UNL     1       1.827   1.230   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.542   1.643   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.398  -2.681   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       1.030  -3.506   0.000  1.00  0.00           O  
HETATM   31  H   UNL     1       0.316  -0.619   0.000  1.00  0.00           H  
HETATM   32  C   UNL     1      -0.398  -3.506   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.745  -3.919   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   29                                            
CONECT    3    2    4   30                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   10                                            
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    6   11   31                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   27                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17   21   26                                       
CONECT   17   16   12                                                 
CONECT   18   15   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   16   25                                            
CONECT   22   20   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
CONECT   26   16                                                      
CONECT   27   13   28                                                 
CONECT   28   27                                                      
CONECT   29    2   32                                                 
CONECT   30    3   33                                                 
CONECT   31   10                                                      
CONECT   32   29                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0FC0B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.447  -0.047   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.447  -0.872   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.268  -1.285   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.982  -0.872   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.982  -0.047   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.268   0.365   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       1.697   0.365   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       2.411  -0.047   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.126   0.365   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.879   0.030   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       4.431   0.643   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1       4.019   1.357   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       3.212   1.186   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.051  -0.777   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.438  -1.329   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.609  -2.136   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.394  -2.391   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       5.007  -1.839   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.835  -1.032   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.599   1.738   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1       2.653  -1.074   0.000  1.00  0.00          Cl  
HETATM   22 CL   UNL     1       5.448  -0.480   0.000  1.00  0.00          Cl  
HETATM   23  C   UNL     1       2.344   2.522   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.792   1.909   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.161   0.365   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.876  -0.047   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.876  -0.872   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.161  -1.285   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.590  -1.285   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.305  -0.872   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.019  -1.285   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.019  -2.110   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.305  -2.522   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.590  -2.110   0.000  1.00  0.00           C  
HETATM   35 CL   UNL     1       0.268  -2.110   0.000  1.00  0.00          Cl  
HETATM   36  C   UNL     1      -4.734  -0.872   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1      -4.734  -0.047   0.000  1.00  0.00           O  
HETATM   38  O   UNL     1      -5.448  -1.285   0.000  1.00  0.00           O  
CONECT    1    2    6   25                                            
CONECT    2    1    3   28                                            
CONECT    3    2    4   35                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    9   20                                            
CONECT   14   10   15   19                                            
CONECT   15   14   16   21                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14   22                                            
CONECT   20   13   23   24                                            
CONECT   21   15                                                      
CONECT   22   19                                                      
CONECT   23   20   24                                                 
CONECT   24   23   20                                                 
CONECT   25    1   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27    2                                                 
CONECT   29   27   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35    3                                                      
CONECT   36   31   37   38                                            
CONECT   37   36                                                      
CONECT   38   36                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0FC0Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.677   0.773   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.677  -0.051   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.037  -0.464   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.752  -0.051   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.752   0.773   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.037   1.186   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.462   1.028   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.947   0.361   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.462  -0.306   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.466   1.186   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.220   0.851   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.772   1.464   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1       2.359   2.178   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.552   2.006   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.391   0.043   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.939   2.558   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.037  -1.289   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.772   0.361   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.630  -1.774   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.375  -2.558   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1       0.450  -2.558   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       0.705  -1.774   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.415  -1.519   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.489  -1.519   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   17                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9   18                                            
CONECT    9    8    2                                                 
CONECT   10    5   11   14                                            
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10   16                                            
CONECT   15   11                                                      
CONECT   16   14                                                      
CONECT   17    3   19   22                                            
CONECT   18    8                                                      
CONECT   19   17   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17   24                                            
CONECT   23   19                                                      
CONECT   24   22                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0FC5J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.845   1.007   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.845   0.182   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.131  -0.230   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.416   0.182   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.416   1.007   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.131   1.420   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.630   1.262   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.115   0.595   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.630  -0.072   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.885   2.047   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.131  -1.055   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.702  -0.230   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.987   0.182   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.273  -0.230   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.273  -1.055   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.442  -1.468   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.156  -1.055   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.156  -0.230   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.442   0.182   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.242  -1.876   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.049  -2.047   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.462  -1.333   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.910  -0.719   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       2.081   0.088   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       3.282  -1.246   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.834  -1.859   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       4.588  -1.524   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       4.502  -0.703   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.695  -0.532   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       5.115  -0.151   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1      -1.702  -1.055   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   11                                            
CONECT    4    3    5   12                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    7                                                      
CONECT   11    3                                                      
CONECT   12    4   13   31                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20   23                                       
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   17   24                                            
CONECT   24   23                                                      
CONECT   25   22   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28   25                                                 
CONECT   30   28                                                      
CONECT   31   12                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0FC8P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.034   0.812   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.947  -0.008   0.000  1.00  0.00           N  
HETATM    3  N   UNL     1      -0.140  -0.180   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.272   0.534   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.280   1.148   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.560  -0.560   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.345  -0.305   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.958  -0.858   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.787  -1.665   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.002  -1.919   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.389  -1.367   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.093   0.621   0.000  1.00  0.00           C  
HETATM   13 CL   UNL     1      -0.604  -1.622   0.000  1.00  0.00          Cl  
HETATM   14  C   UNL     1       0.006   1.955   0.000  1.00  0.00           C  
HETATM   15 CL   UNL     1      -3.400  -2.217   0.000  1.00  0.00          Cl  
HETATM   16  N   UNL     1       1.645   0.008   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.748   1.225   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.834   2.045   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.641   2.217   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.054   1.502   0.000  1.00  0.00           C  
HETATM   21  S   UNL     1      -2.502   0.889   0.000  1.00  0.00           S  
HETATM   22 CL   UNL     1      -3.874   1.416   0.000  1.00  0.00          Cl  
HETATM   23  C   UNL     1       2.470   0.008   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.882  -0.707   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       2.882   0.722   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       2.547  -1.460   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.160  -2.013   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.874  -1.600   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.703  -0.793   0.000  1.00  0.00           C  
CONECT    1    2    5   17                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   12                                            
CONECT    5    4    1   14                                            
CONECT    6    2    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   15                                            
CONECT   10    9   11                                                 
CONECT   11   10    6   13                                            
CONECT   12    4   16                                                 
CONECT   13   11                                                      
CONECT   14    5                                                      
CONECT   15    9                                                      
CONECT   16   12   23                                                 
CONECT   17    1   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   17                                                 
CONECT   22   20                                                      
CONECT   23   16   24   25                                            
CONECT   24   23   26   29                                            
CONECT   25   23                                                      
CONECT   26   24   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0FC9J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.072  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.357  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.357  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.357   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.357   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.072  -1.031   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.786  -0.619   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.786   0.206   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.072   0.619   0.000  1.00  0.00           C  
HETATM   11 CL   UNL     1      -0.357   1.444   0.000  1.00  0.00          Cl  
HETATM   12  O   UNL     1       1.072   1.444   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       2.501   0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.215   0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.215  -0.619   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.930  -1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.644  -0.619   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       4.644   0.206   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       3.930   0.619   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       3.930   1.444   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       5.359  -1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.501  -1.031   0.000  1.00  0.00           C  
HETATM   23 CL   UNL     1      -0.357  -1.856   0.000  1.00  0.00          Cl  
HETATM   24  C   UNL     1      -1.786   0.619   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.786   1.444   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.501   1.856   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.215   0.619   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.930   0.206   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -3.930  -0.619   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -3.215  -1.031   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.501  -0.619   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.644  -1.031   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.359  -0.619   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1      -4.644  -1.856   0.000  1.00  0.00           O  
CONECT    1    2    6   24                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   23                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9    5   12                                            
CONECT   11    6                                                      
CONECT   12   10                                                      
CONECT   13    9   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16   22                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   14   20                                            
CONECT   20   19                                                      
CONECT   21   17                                                      
CONECT   22   15                                                      
CONECT   23    3                                                      
CONECT   24    1   25   26                                            
CONECT   25   24   27                                                 
CONECT   26   24   28   32                                            
CONECT   27   25                                                      
CONECT   28   26   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   26                                                 
CONECT   33   30   34   35                                            
CONECT   34   33                                                      
CONECT   35   33                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0FF5C
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.662   1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.662   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.947   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.233   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.233   1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.947   1.650   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.518   0.000   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.804   0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.804   1.238   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.518   1.650   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.518  -0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.233  -1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.233  -2.062   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.518  -2.475   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.804  -2.062   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.804  -1.238   0.000  1.00  0.00           C  
HETATM   17  H   UNL     1      -0.090  -0.825   0.000  1.00  0.00           H  
HETATM   18  C   UNL     1      -0.090   1.650   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.625   1.238   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1      -0.090   2.475   0.000  1.00  0.00           O  
HETATM   21  H   UNL     1       0.625   0.412   0.000  1.00  0.00           H  
HETATM   22  C   UNL     1       1.187   1.087   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.662   1.087   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.249   1.801   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.425   1.801   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.012   1.087   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.425   0.372   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.249   0.372   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       0.774   0.372   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -0.449   0.206   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       0.266  -0.206   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   30                                            
CONECT    9    8   10   18                                            
CONECT   10    9    5                                                 
CONECT   11    7   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11   17                                            
CONECT   17   16                                                      
CONECT   18    9   19   20                                            
CONECT   19   18   21   22                                            
CONECT   20   18                                                      
CONECT   21   19                                                      
CONECT   22   19   26   29                                            
CONECT   23   28   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   22                                            
CONECT   27   26   28                                                 
CONECT   28   23   27                                                 
CONECT   29   22                                                      
CONECT   30    8   31                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0FF6H
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.838   1.265   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.838   0.443   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.126   0.032   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.414   0.443   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.414   1.265   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.126   1.676   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.632   0.189   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.149   0.854   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.632   1.519   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1      -0.378  -0.593   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1       0.673   0.854   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.426  -0.764   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.680  -1.546   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.484  -1.717   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.034  -1.106   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.780  -0.324   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.976  -0.153   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -2.126   2.498   0.000  1.00  0.00          Cl  
HETATM   19 CL   UNL     1       1.738  -2.498   0.000  1.00  0.00          Cl  
HETATM   20  F   UNL     1       2.838  -1.276   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   18                                            
CONECT    7    4    8   10                                            
CONECT    8    7    9   11                                            
CONECT    9    8    5                                                 
CONECT   10    7   12                                                 
CONECT   11    8                                                      
CONECT   12   10   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    6                                                      
CONECT   19   14                                                      
CONECT   20   15                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0FG2H
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.209  -0.412   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.505  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.505  -1.650   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.220  -2.062   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.934  -1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.934  -0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.220  -0.412   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       2.649  -2.062   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       3.363  -1.650   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.363  -0.825   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.649  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.649   0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.934   0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.934   1.650   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.220   2.062   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.505   1.650   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.505   0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.220   0.412   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       4.078  -0.412   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       4.792  -0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.423   0.384   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.220   0.171   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.006  -0.626   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.934   0.583   0.000  1.00  0.00           N  
HETATM   25  S   UNL     1      -2.649   0.171   0.000  1.00  0.00           S  
HETATM   26  C   UNL     1      -3.363  -0.242   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.078   0.171   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.792  -0.242   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.061   0.885   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1      -2.236  -0.544   0.000  1.00  0.00           O  
CONECT    1    2   21   23                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    7   11                                            
CONECT    7    6    2                                                 
CONECT    8    5    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   19                                            
CONECT   11   10    6   12                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   10   20                                                 
CONECT   20   19                                                      
CONECT   21    1   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22    1                                                 
CONECT   24   22   25                                                 
CONECT   25   24   26   29   30                                       
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27                                                      
CONECT   29   25                                                      
CONECT   30   25                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0FG4C
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.095   0.635   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.810   1.047   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.524   0.635   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       2.239   1.047   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.953   0.635   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.619   1.047   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.667   1.047   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       4.492   1.047   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       4.080   1.762   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       5.207   0.635   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       5.207  -0.190   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       5.921   1.047   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1       2.953  -0.190   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1       0.810   1.872   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.524  -0.190   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.810  -0.603   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.015  -0.603   0.000  1.00  0.00           C  
HETATM   18  S   UNL     1      -0.270  -1.387   0.000  1.00  0.00           S  
HETATM   19  C   UNL     1       0.397  -1.872   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.065  -1.387   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.334   0.635   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.087   0.970   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.639   0.357   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1      -2.227  -0.357   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1      -1.420  -0.186   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.460   0.444   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.796   1.197   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.616   1.283   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.101   0.616   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.765  -0.138   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.945  -0.224   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1      -5.921   0.702   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   14                                            
CONECT    3    2    4   15                                            
CONECT    4    3    5                                                 
CONECT    5    4    7   13                                            
CONECT    6    1   21                                                 
CONECT    7    5    8    9                                            
CONECT    8    7    9   10                                            
CONECT    9    8    7                                                 
CONECT   10    8   11   12                                            
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13    5                                                      
CONECT   14    2                                                      
CONECT   15    3   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   16                                                 
CONECT   21    6   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
CONECT   26   23   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0FH4G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.030   0.309   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.030  -0.516   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.316  -0.928   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.399  -0.516   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.399   0.309   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.316   0.722   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.745   0.722   0.000  1.00  0.00           C  
HETATM    8  S   UNL     1       1.113   0.722   0.000  1.00  0.00           S  
HETATM    9 AU   UNL     1       1.828   0.309   0.000  1.00  0.00          Au  
HETATM   10  P   UNL     1       2.653   0.309   0.000  1.00  0.00           P  
HETATM   11  C   UNL     1       3.065  -0.405   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.478   0.309   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.890   1.024   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.890  -0.405   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.653   1.134   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.938   1.547   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.673  -1.547   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1      -1.387  -0.309   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.387  -1.134   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.102  -1.547   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.461   0.309   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1      -3.176   1.547   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.176   0.722   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.890   0.309   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.745  -0.928   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.460   0.309   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.460  -0.516   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.174  -0.928   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       0.396  -0.928   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1      -0.318   0.309   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -0.318  -0.516   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.032  -0.928   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   25                                            
CONECT    3    2    4   17                                            
CONECT    4    3    5   29                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    1   21                                                 
CONECT    8    5    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   12   15                                       
CONECT   11   10   14                                                 
CONECT   12   10   13                                                 
CONECT   13   12                                                      
CONECT   14   11                                                      
CONECT   15   10   16                                                 
CONECT   16   15                                                      
CONECT   17    3   19                                                 
CONECT   18   19                                                      
CONECT   19   17   18   20                                            
CONECT   20   19                                                      
CONECT   21    7   23                                                 
CONECT   22   23                                                      
CONECT   23   21   22   24                                            
CONECT   24   23                                                      
CONECT   25    2   27                                                 
CONECT   26   27                                                      
CONECT   27   25   26   28                                            
CONECT   28   27                                                      
CONECT   29    4   31                                                 
CONECT   30   31                                                      
CONECT   31   29   30   32                                            
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0FH5K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.484   0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.484  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.769  -0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.055  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.055   0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.769   1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.769   1.856   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.769  -1.444   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.484  -1.856   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.340  -0.619   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.626  -0.206   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.626   0.619   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -1.911  -0.619   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.197  -0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.784   0.508   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.013   0.295   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.372  -0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.409  -0.803   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.214  -0.847   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.011  -1.060   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.297  -1.472   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       0.727  -0.118   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.514   0.131   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.097  -0.453   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.894  -0.239   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.477  -0.822   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.274  -0.609   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.687  -1.323   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       5.484  -1.110   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    3    9                                                 
CONECT    9    8                                                      
CONECT   10    4   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   19   22                                            
CONECT   17   14   18                                                 
CONECT   18   17   21   22                                            
CONECT   19   16   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   18                                                 
CONECT   22   16   18   23                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0FH6P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.428  -0.911   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.428  -1.736   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.143  -2.149   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.857  -1.736   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.857  -0.911   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.143  -0.499   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.642  -1.991   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       3.127  -1.324   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.642  -0.656   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.286  -0.499   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.001  -0.911   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.001  -1.736   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.715  -0.499   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.430  -0.911   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.144  -0.499   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.897   0.128   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.694   0.342   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       3.907   1.139   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       4.704   1.352   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.918   2.149   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       5.287   0.769   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.144   0.326   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.858   0.739   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.573   0.326   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.573  -0.499   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.858  -0.911   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.287   0.739   0.000  1.00  0.00           C  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   16                                            
CONECT   10    1   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   22   26                                            
CONECT   16    9   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   15   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   15                                                 
CONECT   27   24                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0FI1W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.200   0.084   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.375   0.080   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.037   0.794   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.863   0.794   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.117   1.579   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       0.450   2.064   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -0.217   1.579   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.275   0.080   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.100   0.080   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.513  -0.635   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.513   0.794   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       2.100  -1.349   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.513  -2.064   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.337  -2.064   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.750  -1.349   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.337  -0.635   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.684   0.752   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.469   0.498   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.469  -0.327   0.000  1.00  0.00           C  
HETATM   20  S   UNL     1      -1.684  -0.583   0.000  1.00  0.00           S  
HETATM   21  C   UNL     1      -3.184   0.910   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.898   0.498   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.898  -0.327   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.184  -0.740   0.000  1.00  0.00           C  
HETATM   25 CL   UNL     1      -4.613  -0.740   0.000  1.00  0.00          Cl  
HETATM   26  O   UNL     1       3.898  -0.069   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       4.613  -0.481   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       2.042  -1.141   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       2.756  -1.554   0.000  1.00  0.00           C  
CONECT    1    2   17   20                                            
CONECT    2    1    3                                                 
CONECT    3    4    7    2                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    3                                                 
CONECT    8    9    4                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   12   16                                            
CONECT   11    9                                                      
CONECT   12   10   13   28                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   10   26                                            
CONECT   17    1   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20   24                                            
CONECT   20   19    1                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   19                                                 
CONECT   25   23                                                      
CONECT   26   16   27                                                 
CONECT   27   26                                                      
CONECT   28   12   29                                                 
CONECT   29   28                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0FI3A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.173   4.340   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.173   3.514   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.459   3.102   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.744   3.514   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.744   4.340   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.459   4.752   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.030   4.752   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.888   4.752   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.030   3.102   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.030   2.277   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.685   1.865   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.685   1.040   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       1.399   2.277   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.017   0.555   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1       0.272  -0.230   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1       1.097  -0.230   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.352   0.555   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.137   0.810   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.582  -0.897   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.403  -0.811   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.459   2.277   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       1.247  -1.651   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.426  -1.737   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.091  -2.491   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       0.576  -3.158   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       1.396  -3.072   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.732  -2.319   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.888  -1.479   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.240  -3.912   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.581  -3.998   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -1.065  -3.331   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -0.916  -4.752   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -0.245  -3.245   0.000  1.00  0.00           F  
HETATM   34  H   UNL     1       1.995  -0.183   0.000  1.00  0.00           H  
CONECT    1    2    6    8                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   21                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    1                                                      
CONECT    9    4   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11   14   17                                            
CONECT   13   11                                                      
CONECT   14   12   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   12   18                                            
CONECT   18   17                                                      
CONECT   19   16   20   22   34                                       
CONECT   20   19   28                                                 
CONECT   21    3                                                      
CONECT   22   19   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   20                                                      
CONECT   29   25   30                                                 
CONECT   30   29   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
CONECT   34   19                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0FJ1N
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.492  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.492  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.778  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.063  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.063  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.778   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.207   0.206   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.349   0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.366  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.080   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.080   1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.366   1.444   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.349   1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.207   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.921   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.636   1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.636   0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.921  -0.206   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       5.350   1.444   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       6.064   1.031   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       6.064   0.206   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       5.350  -0.206   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1      -1.795   1.444   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.509   1.031   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.224   1.444   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.938   1.031   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.692   1.367   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -5.244   0.754   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1      -4.831   0.039   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.024   0.211   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.064   0.840   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.776   1.030   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       2.601   1.030   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1   32                                            
CONECT    7    1   14   18                                            
CONECT    8    5    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   23                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    7   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18   22                                            
CONECT   18   17    7                                                 
CONECT   19   16   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   11   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   26                                                 
CONECT   31   28                                                      
CONECT   32    6   33                                                 
CONECT   33   32                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0FJ3N
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572  -0.825   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.572  -1.650   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.858  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143  -1.650   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.143  -0.825   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.858  -0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.715  -0.825   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.429   0.412   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.287  -2.062   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.001  -1.650   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.287  -2.888   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.715  -0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.429  -0.412   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.429   0.412   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.715   0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.000   0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.143   0.825   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.858   0.412   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       3.572   0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.572   1.650   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.858   2.062   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.143   1.650   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.287   2.062   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       5.001   1.650   0.000  1.00  0.00           N  
HETATM   27  O   UNL     1       4.287   2.888   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8   14   18                                            
CONECT   10    7                                                      
CONECT   11    2   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14    9   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17    9                                                 
CONECT   19   16   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22   26   27                                            
CONECT   26   25                                                      
CONECT   27   25                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0FJ4A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.061   1.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.061   1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.776   0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.490   1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.490   1.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.776   2.269   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.776  -0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.061  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.061  -1.444   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.776  -1.856   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.490  -1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.490  -0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.061  -2.269   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.346  -1.856   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       1.061  -3.094   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       2.490  -2.269   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.204  -1.856   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.346   0.619   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.368   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.082   0.619   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.368   1.856   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.836   0.954   0.000  1.00  0.00           C  
HETATM   23  S   UNL     1      -2.388   0.341   0.000  1.00  0.00           S  
HETATM   24  C   UNL     1      -1.976  -0.373   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.169  -0.202   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.311  -1.127   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.118  -1.298   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.204  -2.119   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1      -2.451  -2.454   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -1.899  -1.841   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       1.776   3.094   0.000  1.00  0.00           N  
HETATM   32  F   UNL     1       3.204   0.619   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5   32                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   31                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13   16                                       
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   10   17                                                 
CONECT   17   16                                                      
CONECT   18    2   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   22   25                                            
CONECT   21   19                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   20                                                 
CONECT   26   24   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   26                                                 
CONECT   31    6                                                      
CONECT   32    4                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END

$$$$

$$$$

$$$$
D0FK0Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.919   0.569   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.435  -0.098   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.350   0.157   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.350   0.981   0.000  1.00  0.00           C  
HETATM    5  S   UNL     1      -0.435   1.236   0.000  1.00  0.00           S  
HETATM    6  C   UNL     1       0.995  -0.358   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.799  -0.174   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.157   0.569   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.799   1.312   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.995   1.496   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.690  -0.883   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.744   0.569   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.138  -1.496   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.157  -0.145   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.157   1.283   0.000  1.00  0.00           C  
CONECT    1    2    5   12                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4    6                                            
CONECT    4    3    5   10                                            
CONECT    5    4    1                                                 
CONECT    6    3    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    2   13                                                 
CONECT   12    1   14   15                                            
CONECT   13   11                                                      
CONECT   14   12                                                      
CONECT   15   12                                                      
MASTER        0    0    0    0    0    0    0    0   15    0   15    0
END
M  END

$$$$
D0FK2Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.992   1.031   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.992   0.206   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.278  -0.206   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.437   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.437   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.278   1.444   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.222  -0.049   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.706   0.619   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.222   1.286   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -0.278   2.269   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1      -1.706  -0.206   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.278  -1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.992  -1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.992  -2.269   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4   12                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    6                                                      
CONECT   11    2                                                      
CONECT   12    3   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13                                                      
MASTER        0    0    0    0    0    0    0    0   14    0   14    0
END
M  END

$$$$
D0FK4P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.016  -0.440   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.016  -1.265   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.302  -1.677   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.587  -1.265   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.587  -0.440   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.302  -0.028   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.873  -0.028   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.302   0.795   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.731  -0.028   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.731   0.797   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.445   1.210   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.160   0.797   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.160  -0.028   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.445  -0.440   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.158  -0.440   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.554  -0.029   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.158  -1.262   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       1.308  -0.364   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.859   0.249   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.447   0.963   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.640   0.791   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.684   0.249   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       3.097   0.963   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       3.922   0.963   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.335   1.677   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.479  -1.171   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       5.160   1.677   0.000  1.00  0.00           O  
CONECT    1    2    6    9                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1    8                                            
CONECT    7    5   15                                                 
CONECT    8    6                                                      
CONECT    9    1   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    7   16   17                                            
CONECT   16   15   18   21                                            
CONECT   17   15                                                      
CONECT   18   16   19   26                                            
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   19   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   27                                                 
CONECT   26   18                                                      
CONECT   27   25                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0FK5P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.295  -0.825   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.295  -1.650   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.580  -2.062   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.866  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.866  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.580  -0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.151  -0.412   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.151   0.412   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.866   0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.580   0.412   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.079  -0.570   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.564  -1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.079  -1.905   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.437   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.278   0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.992   0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.992   1.650   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.278   2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.437   1.650   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.706   0.412   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.421   0.825   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1       1.706  -0.412   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       3.135   0.412   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.135  -0.412   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.850  -0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.564  -0.412   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.564   0.412   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.850   0.825   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.850  -1.650   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.564  -2.062   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.135  -2.062   0.000  1.00  0.00           C  
CONECT    1    2    6   11                                            
CONECT    2    1    3   13                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   10                                            
CONECT    7    5    8                                                 
CONECT    8    7    9   14                                            
CONECT    9    8   10                                                 
CONECT   10    9    6                                                 
CONECT   11    1   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    2                                                 
CONECT   14    8   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   16   21   22                                            
CONECT   21   20   23                                                 
CONECT   22   20                                                      
CONECT   23   21   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   25   30   31                                            
CONECT   30   29                                                      
CONECT   31   29                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0FK6Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.593  -2.527   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.879  -2.940   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.164  -2.527   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.164  -1.702   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.879  -1.290   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.593  -1.702   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.450  -2.940   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.265  -2.527   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.265  -1.702   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.450  -1.290   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.450  -0.465   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.265  -0.052   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.979  -0.465   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.694  -0.052   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.694   0.773   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.979   1.185   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.265   0.773   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.308  -1.290   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1      -3.308  -2.940   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.308  -0.465   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.593  -0.052   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.022  -0.052   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.022   0.773   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.737   1.185   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.737   2.010   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.451   2.423   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.022   2.423   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.022  -2.527   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.108  -1.707   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.915  -1.535   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -5.328  -2.250   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.776  -2.863   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.478  -0.307   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       2.963   0.360   0.000  1.00  0.00           N  
HETATM   35  N   UNL     1       2.478   1.028   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1       2.733   1.812   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.540   1.984   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       4.092   1.371   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       4.899   1.542   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       5.154   2.327   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       4.602   2.940   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       3.795   2.768   0.000  1.00  0.00           C  
HETATM   43  F   UNL     1       5.451   0.929   0.000  1.00  0.00           F  
CONECT    1    2    6   19                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   18                                            
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    4   11                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   33                                            
CONECT   15   14   16   35                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    6   20                                                 
CONECT   19    1   28                                                 
CONECT   20   18   21   22                                            
CONECT   21   20                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   19   29   32                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   28                                                 
CONECT   33   14   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   15   36                                            
CONECT   36   35   37                                                 
CONECT   37   36   38   42                                            
CONECT   38   37   39                                                 
CONECT   39   38   40   43                                            
CONECT   40   39   41                                                 
CONECT   41   40   42                                                 
CONECT   42   41   37                                                 
CONECT   43   39                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
M  END

$$$$
D0FK7E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786   2.064   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786   1.239   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072   0.826   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357   1.239   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.357   2.064   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.072   2.476   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.501   1.651   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.215   1.239   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.215   0.414   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.501   0.001   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.786   0.414   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.357   2.476   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       1.072   2.064   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1       0.357   3.301   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.786   2.476   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.501   2.064   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.215   2.476   0.000  1.00  0.00           O  
HETATM   18  S   UNL     1      -2.501  -0.824   0.000  1.00  0.00           S  
HETATM   19  O   UNL     1      -1.786  -1.236   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1      -3.215  -1.236   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.501  -1.649   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.215  -2.061   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.215  -2.886   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.501  -3.299   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.786  -2.886   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.786  -2.061   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -2.501  -4.124   0.000  1.00  0.00           F  
HETATM   28  C   UNL     1       1.786   3.301   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1       2.608   3.301   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1       1.786   4.124   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1       0.964   3.301   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7   11                                       
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   12                                            
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   18                                            
CONECT   11   10    2                                                 
CONECT   12    5   13   14                                            
CONECT   13   12   15                                                 
CONECT   14   12                                                      
CONECT   15   28   13   16                                            
CONECT   16   15   17                                                 
CONECT   17   16                                                      
CONECT   18   10   19   20   21                                       
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   18   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   24                                                      
CONECT   28   29   30   31   15                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0FL0T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.301  -1.626   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.718  -2.209   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.921  -1.995   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.707  -1.199   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.290  -0.615   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.087  -0.829   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.910  -0.985   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.327  -1.568   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.530  -1.355   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.316  -0.558   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.900   0.025   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.697  -0.188   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.519  -0.344   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.122  -0.864   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.814  -0.414   0.000  1.00  0.00           N1+
HETATM   16  C   UNL     1       0.600   0.383   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.224   0.426   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.147   1.000   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.006   1.813   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.283   2.209   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.478   1.890   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.704   1.097   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.584  -0.710   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.713  -1.525   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.483  -1.821   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.124  -1.301   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.995  -0.486   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.225  -0.191   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       3.894  -1.597   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       5.301  -1.374   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.533  -1.079   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   23                                            
CONECT   16   15   17   18                                            
CONECT   17   16   13   22                                            
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   15   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   29   25   27                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   31   26                                                 
CONECT   30   31                                                      
CONECT   31   30   29                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0FL7J
  -OEChem-09301911262D

 36 39  0     0  0  0  0  0  0999 V2000
    4.6783    3.1425    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5406    0.5777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8007    1.8378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5644   -1.7551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.5330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8007    2.8378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2280   -3.3378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2098   -0.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9008   -1.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8497    1.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    2.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5699   -1.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    2.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8497    3.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3620   -2.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9712   -2.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7572   -0.4565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5915    0.3231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3533   -0.8254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5190   -1.6051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9342    0.4488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3023    1.4734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6581    3.7365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8744   -1.2182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7956   -3.0900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.9578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5776   -2.7976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.1478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.5278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 27  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  3 28  1  0  0  0  0
  4 12  1  0  0  0  0
  4 20  1  0  0  0  0
  4 30  1  0  0  0  0
  5 13  2  0  0  0  0
  5 15  1  0  0  0  0
  6 16  2  0  0  0  0
  7 17  1  0  0  0  0
  7 20  2  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 12  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  2  0  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 15  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 29  1  0  0  0  0
 17 31  1  0  0  0  0
 18 21  1  0  0  0  0
 18 32  1  0  0  0  0
 19 22  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  2  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END

$$$$
D0FL8A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.133   1.444   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       1.848   1.031   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       2.562   1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       3.277   1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       3.991   1.444   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       4.706   1.031   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       4.792   0.211   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       5.599   0.039   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       6.011   0.754   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       5.459   1.367   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       1.133   2.269   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.419   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.296   1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.010   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.010   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.296  -0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.419   0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.725  -0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.439   0.206   0.000  1.00  0.00           C  
HETATM   20  S   UNL     1      -2.439   1.031   0.000  1.00  0.00           S  
HETATM   21  C   UNL     1      -3.154   1.444   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.868   1.031   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.868   0.206   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.154  -0.206   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.154   2.269   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.868   2.681   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.582   2.269   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.582   1.444   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.154  -1.031   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -4.582  -0.206   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.582  -1.031   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.297  -1.444   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.297  -2.269   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.582  -2.681   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.868  -2.269   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.868  -1.444   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1      -6.011  -1.031   0.000  1.00  0.00           F  
CONECT    1    2   11   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7   10                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    6                                                 
CONECT   11    1                                                      
CONECT   12    1   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23   28                                            
CONECT   23   22   24   30                                            
CONECT   24   23   19   29                                            
CONECT   25   21   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   22                                                 
CONECT   29   24                                                      
CONECT   30   23   31                                                 
CONECT   31   30   32   36                                            
CONECT   32   31   33   37                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
CONECT   37   32                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END

$$$$

$$$$

$$$$
D0FM3Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.428  -0.911   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.428  -1.736   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.143  -2.149   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.857  -1.736   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.857  -0.911   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.143  -0.499   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.642  -1.991   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       3.127  -1.324   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.642  -0.656   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.286  -0.499   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.001  -0.911   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.001  -1.736   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.715  -0.499   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.430  -0.911   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.144  -0.499   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.897   0.128   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.694   0.342   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       3.907   1.139   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       4.704   1.352   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.918   2.149   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       5.287   0.769   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.144   0.326   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.858   0.739   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.573   0.326   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.573  -0.499   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.858  -0.911   0.000  1.00  0.00           C  
HETATM   27  H   UNL     1      -5.287   0.739   0.000  1.00  0.00           H  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   16                                            
CONECT   10    1   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   22   26                                            
CONECT   16    9   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   15   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   15                                                 
CONECT   27   24                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0FM6W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.509   1.690   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.509   0.866   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.223   0.453   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.938   0.866   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.938   1.690   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.223   2.103   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.276   1.945   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.761   1.278   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.276   0.611   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.586   1.278   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.998   1.992   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.823   1.992   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.236   1.278   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.823   0.564   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.998   0.564   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       1.223   2.928   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       2.652   0.453   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.652  -0.372   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.938  -0.784   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.236  -0.955   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.113  -0.784   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.700  -1.499   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.113  -2.213   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.938  -2.213   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.350  -1.499   0.000  1.00  0.00           C  
HETATM   26 BR   UNL     1       2.350  -2.928   0.000  1.00  0.00          Br  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   17                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   16                                            
CONECT    7    1    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    6                                                      
CONECT   17    4   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   21   25                                            
CONECT   20   18                                                      
CONECT   21   19   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   19                                                 
CONECT   26   24                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0FM6Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.181  -1.062   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.576  -0.337   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.146   0.367   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.321   0.347   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.926  -0.378   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.356  -1.082   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.892   1.051   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.067   1.031   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.637   1.735   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.737   1.735   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.341   2.459   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.472   2.601   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.089   2.054   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.047   1.230   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.376   0.749   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.418   0.974   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.032   2.459   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.817   0.935   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.336   1.576   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.886   2.268   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.594  -1.776   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       3.161   1.576   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       3.573   2.291   0.000  1.00  0.00           O  
HETATM   24  N   UNL     1       3.744   0.993   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       3.531   0.196   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.114  -0.387   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.911  -0.174   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.124   0.623   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.541   1.206   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       5.603  -0.623   0.000  1.00  0.00           N  
HETATM   31  N   UNL     1       6.244  -0.104   0.000  1.00  0.00           N  
HETATM   32  N   UNL     1       5.948   0.666   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1      -5.419  -1.776   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1      -5.419  -2.601   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -6.244  -1.776   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1      -5.419  -0.951   0.000  1.00  0.00           F  
CONECT    1    2    6   21                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   17                                            
CONECT   10    9   11   16                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   20                                            
CONECT   14   13   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   10                                                 
CONECT   17    9                                                      
CONECT   18   14   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   13                                                 
CONECT   21    1   33                                                 
CONECT   22   19   23   24                                            
CONECT   23   22                                                      
CONECT   24   22   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29   32                                            
CONECT   29   28   24                                                 
CONECT   30   27   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   28                                                 
CONECT   33   21   34   35   36                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0FM8Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.699  -0.405   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.699  -1.230   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.413  -1.643   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.128  -1.230   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.128  -0.405   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.413   0.007   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       2.842   0.007   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       2.842  -1.643   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       2.842  -2.468   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1       3.557  -1.230   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1      -0.015   0.007   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.102   0.828   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.909   0.999   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.321   0.285   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.769  -0.328   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.244   1.753   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.657   2.468   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.310   0.158   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.268  -0.665   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.039  -0.960   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.557  -0.318   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1      -3.106   0.373   0.000  1.00  0.00           S  
CONECT    1    2    6   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    4    9   10                                            
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11    1   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   18                                            
CONECT   15   14   11                                                 
CONECT   16   13   17                                                 
CONECT   17   16                                                      
CONECT   18   19   22   14                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   18                                                 
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0FM9V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.182  -0.321   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       1.182  -1.146   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       1.897  -1.558   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.611  -1.146   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.611  -0.321   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.897   0.092   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.325   0.092   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       4.040  -0.321   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       4.754   0.092   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       4.754   0.917   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       4.040   1.329   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.325   0.917   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       5.469  -0.321   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       6.183   0.092   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       6.183   0.917   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       5.469   1.329   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1       0.468   0.092   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.247  -0.321   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.961   0.092   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.048   0.912   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.855   1.084   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.267   0.369   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.715  -0.244   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.190   1.837   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.887  -1.051   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.671  -1.306   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.843  -2.113   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.088   0.283   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.572   0.950   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.393   0.864   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.878   1.532   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1      -5.698   1.445   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1      -6.183   2.113   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.897   0.917   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1       2.721   0.917   0.000  1.00  0.00           N  
CONECT    1    2    6   17                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   34                                            
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11   16                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    9   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   10                                                 
CONECT   17    1   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23   28                                            
CONECT   23   22   19   25                                            
CONECT   24   21                                                      
CONECT   25   23   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26                                                      
CONECT   28   22   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32                                                      
CONECT   34    6   35                                                 
CONECT   35   34                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0FN6F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.440   1.399   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.440   0.574   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.795   0.059   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.010   0.243   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.367   0.986   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.010   1.730   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.795   1.913   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.978  -0.745   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.767  -0.988   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.950  -1.792   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.345  -2.354   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.557  -2.110   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.374  -1.306   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.192   0.986   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.433   2.438   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1      -0.110   3.059   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.869   2.735   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -1.529  -3.158   0.000  1.00  0.00          Cl  
HETATM   19  C   UNL     1      -1.577   3.158   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       1.776   0.403   0.000  1.00  0.00           O  
HETATM   21  S   UNL     1       2.573   0.616   0.000  1.00  0.00           S  
HETATM   22  C   UNL     1      -2.154   1.811   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.869   1.399   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.869   0.574   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.154   0.161   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.359   1.413   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1       2.786  -0.180   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       3.370   0.830   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.583   0.161   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.583  -0.664   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.583   1.627   0.000  1.00  0.00           C  
CONECT    1    2    7   22                                            
CONECT    2    1    3   25                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   14                                            
CONECT    6    5    7   15                                            
CONECT    7    6    1   17                                            
CONECT    8    3    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   18                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    5   20                                                 
CONECT   15    6   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16    7   19                                            
CONECT   18   11                                                      
CONECT   19   17                                                      
CONECT   20   14   21                                                 
CONECT   21   20   26   27   28                                       
CONECT   22    1   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24    2                                                 
CONECT   26   21                                                      
CONECT   27   21                                                      
CONECT   28   21   31                                                 
CONECT   29   24   30                                                 
CONECT   30   29                                                      
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0FN8Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.899  -0.886   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.899  -1.711   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.184  -2.124   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.470  -1.711   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.470  -0.886   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.184  -0.474   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.755  -0.474   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.041  -0.886   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.326  -0.474   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.612  -0.886   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.612  -1.711   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.103  -2.124   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.817  -1.711   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.817  -0.886   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.103  -0.474   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.532  -2.124   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.246  -1.711   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.961  -2.124   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.675  -1.711   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.390  -2.124   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       5.104  -1.711   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       5.858  -2.047   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1       6.410  -1.434   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1       5.997  -0.719   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       5.190  -0.891   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.326   0.351   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.184   0.351   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.767   0.934   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.613  -2.124   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1      -6.327  -2.536   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -5.827  -2.921   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -6.410  -1.910   0.000  1.00  0.00           F  
HETATM   33  N   UNL     1      -4.638   1.749   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1      -5.373   2.124   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1      -5.957   1.540   0.000  1.00  0.00           N  
HETATM   36  N   UNL     1      -5.582   0.805   0.000  1.00  0.00           N  
HETATM   37  C   UNL     1      -5.587   2.921   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   29                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   27                                            
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   26                                            
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
CONECT   26    9                                                      
CONECT   27    6   28                                                 
CONECT   28   27   33   36                                            
CONECT   29    2   30   31   32                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
CONECT   33   28   34                                                 
CONECT   34   33   35   37                                            
CONECT   35   34   36                                                 
CONECT   36   35   28                                                 
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0FO4C
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.767   1.767   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.767   0.942   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.052   0.529   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.662   0.942   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.662   1.767   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.052   2.179   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.552   2.022   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.036   1.354   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.552   0.687   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       1.377   0.529   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       2.091   0.942   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.845   0.606   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.397   1.219   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.984   1.934   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.177   1.762   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.222   1.219   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.634   1.934   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       4.222   2.648   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.397   2.648   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.861   1.354   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.075   2.151   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.445   0.771   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.260   0.900   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -4.634   0.165   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1      -4.051  -0.419   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.316  -0.044   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.051  -1.244   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.336  -1.656   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.250  -2.477   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.443  -2.648   0.000  1.00  0.00           N  
HETATM   31  N   UNL     1      -2.031  -1.934   0.000  1.00  0.00           N  
HETATM   32  N   UNL     1      -2.583  -1.321   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9   20                                            
CONECT    9    8    2                                                 
CONECT   10    4   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   19                                            
CONECT   15   14   11                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20    8   21   22                                            
CONECT   21   20                                                      
CONECT   22   20   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   22                                                 
CONECT   27   25   28                                                 
CONECT   28   27   29   32                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   28                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0FQ3D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.607   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.607  -0.825   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.893  -1.238   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.178  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.178   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.893   0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.536   0.412   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       0.536   1.238   0.000  1.00  0.00           O  
HETATM    9  N   UNL     1       0.893   0.206   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1       1.607  -0.206   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7                                                      
CONECT    9    7   10                                                 
CONECT   10    9                                                      
MASTER        0    0    0    0    0    0    0    0   10    0   10    0
END
M  END

$$$$
D0FQ4W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.239   1.237   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.525   1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.810   1.237   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.810   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.096  -0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.381   0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.381   1.237   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.096   1.650   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       0.333  -0.000   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.048   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.845   0.199   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.058   0.996   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.261   1.209   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.773   1.408   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.487   0.996   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       2.773   2.233   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1       3.487   0.171   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       4.272  -0.084   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       4.757   0.583   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1       4.272   1.251   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       4.485  -0.881   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.902  -1.464   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.115  -2.261   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.912  -2.475   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.496  -1.892   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       5.282  -1.095   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.096   2.475   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.036   1.451   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.249   0.654   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.453   0.440   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.046   0.868   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1      -5.496   0.176   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.976  -0.466   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.206  -0.170   0.000  1.00  0.00           C  
CONECT    1    2   28   30                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7    9                                            
CONECT    7    6    8                                                 
CONECT    8    7    3   27                                            
CONECT    9    6   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   10                                                 
CONECT   14   12   15   16                                            
CONECT   15   14   17   20                                            
CONECT   16   14                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27    8                                                      
CONECT   28    1   29                                                 
CONECT   29   28   30   31   34                                       
CONECT   30   29    1                                                 
CONECT   31   29   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0FQ4Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.061  -0.704   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.061  -1.529   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.347  -1.942   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.632  -1.529   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.632  -0.704   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.347  -0.292   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.848  -1.784   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.363  -1.117   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.848  -0.449   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.347   0.533   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.061   0.946   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.632   0.946   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.835   0.732   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.622   1.529   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.419   1.743   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.093   1.942   0.000  1.00  0.00           N  
HETATM   17  S   UNL     1       0.807   1.529   0.000  1.00  0.00           S  
HETATM   18  C   UNL     1       1.522   1.942   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       0.224   0.946   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1       1.391   0.946   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.236   1.529   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.649   0.815   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.061   1.529   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    6   11   12                                            
CONECT   11   10                                                      
CONECT   12   13   15   10                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   12                                                 
CONECT   16   14   17                                                 
CONECT   17   16   18   19   20                                       
CONECT   18   17   21                                                 
CONECT   19   17                                                      
CONECT   20   17                                                      
CONECT   21   18   22   23                                            
CONECT   22   21   23                                                 
CONECT   23   22   21                                                 
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0FQ6V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.992  -0.179   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.992  -1.004   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.278  -1.416   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.437  -1.004   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.437  -0.179   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.278   0.234   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.222  -1.259   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.706  -0.591   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.222   0.076   0.000  1.00  0.00           C  
HETATM   10 CL   UNL     1      -1.706   0.234   0.000  1.00  0.00          Cl  
HETATM   11 CL   UNL     1      -0.278  -2.241   0.000  1.00  0.00          Cl  
HETATM   12  C   UNL     1       1.476   0.861   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.893   1.444   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.107   2.241   0.000  1.00  0.00           N  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   11                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   12                                            
CONECT   10    1                                                      
CONECT   11    3                                                      
CONECT   12    9   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13                                                      
MASTER        0    0    0    0    0    0    0    0   14    0   14    0
END
M  END

$$$$
D0FR1P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.787   0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.787  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.073  -0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.359  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.359   0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.073   1.031   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -7.502  -0.619   0.000  1.00  0.00           F  
HETATM    8  C   UNL     1      -4.644   1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.930   0.619   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.644   1.856   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.930  -0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.215  -0.619   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.501  -0.206   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.501   0.619   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.215   1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.786  -0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.072  -0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.357  -0.619   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.357  -1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.357  -1.856   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.072  -1.444   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.072  -0.619   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.357  -0.206   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       1.786  -1.856   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       2.501  -1.444   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.215  -1.856   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       2.501  -0.619   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       3.930  -1.444   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.644  -1.856   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.359  -1.444   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.359  -0.619   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.644  -0.206   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.930  -0.619   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       6.073  -0.206   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       6.787  -0.619   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       7.502  -0.206   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1       6.787  -1.444   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9   10                                            
CONECT    9    8   11   15                                            
CONECT   10    8                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14    9                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   28                                                 
CONECT   27   25                                                      
CONECT   28   26   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34   31   35                                                 
CONECT   35   34   36   37                                            
CONECT   36   35                                                      
CONECT   37   35                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0FR1Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.428   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143   0.824   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.714   0.824   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.714   1.649   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.428   2.062   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143   1.649   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1       0.001   0.412   0.000  1.00  0.00           S  
HETATM    8  O   UNL     1       0.413   1.126   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1      -0.412  -0.303   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1       0.715  -0.001   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.715  -0.826   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.430  -1.238   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       2.144  -0.826   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.144  -0.001   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.430   0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.859  -1.238   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.573  -0.826   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.859  -2.063   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.144  -2.476   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.144  -3.301   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.859  -3.713   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.573  -3.301   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.573  -2.476   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.429   2.888   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1      -2.254   2.888   0.000  1.00  0.00           F  
HETATM   26  F   UNL     1      -1.429   3.713   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1      -0.604   2.888   0.000  1.00  0.00           F  
HETATM   28  C   UNL     1      -2.859   0.413   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1      -2.446  -0.301   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -3.573   0.001   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -3.271   1.128   0.000  1.00  0.00           F  
CONECT    1    2    3                                                 
CONECT    2    1    6   28                                            
CONECT    3    1    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   24                                            
CONECT    6    5    2                                                 
CONECT    7    3    8    9   10                                       
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    7   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24    5   25   26   27                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
CONECT   28    2   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0FR3Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.571  -0.206   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.571  -1.031   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.857  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.142  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.142  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.857   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.857   1.031   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.142   1.444   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.142   2.269   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.857   2.681   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.571   2.269   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.571   1.444   0.000  1.00  0.00           C  
HETATM   13 CL   UNL     1      -4.286   1.031   0.000  1.00  0.00          Cl  
HETATM   14  N   UNL     1      -1.428   2.681   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.713   2.269   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.428  -1.444   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.713  -1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.001  -1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.001  -2.269   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.716  -2.681   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       1.430  -2.269   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       1.430  -1.444   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.716  -1.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.713   1.444   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.001   1.031   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.716   1.444   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.716   2.269   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.001   2.681   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       1.430   1.031   0.000  1.00  0.00           N  
HETATM   30 CL   UNL     1      -4.286   0.206   0.000  1.00  0.00          Cl  
HETATM   31  C   UNL     1       2.144   1.444   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.859   1.031   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.144   2.269   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       3.571   1.447   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       4.286   1.034   0.000  1.00  0.00           C  
CONECT    1    2    6   30                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7   13                                            
CONECT   13   12                                                      
CONECT   14    9   15                                                 
CONECT   15   24   28   14                                            
CONECT   16    4   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   15   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   15                                                 
CONECT   29   26   31                                                 
CONECT   30    1                                                      
CONECT   31   29   32   33                                            
CONECT   32   31   34                                                 
CONECT   33   31                                                      
CONECT   34   32   35                                                 
CONECT   35   34                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0FR8L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572   0.121   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572  -0.704   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.858  -1.117   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143  -0.704   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143   0.121   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.858   0.533   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -1.429   0.533   0.000  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -1.429  -1.117   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.715  -0.704   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -1.429  -1.942   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.000  -1.117   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.715  -0.704   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.715   0.121   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.429   0.533   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.429   1.358   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.715   1.771   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.000   1.358   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.000   0.533   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.429  -1.117   0.000  1.00  0.00           C  
HETATM   20 CL   UNL     1      -2.858   1.358   0.000  1.00  0.00          Cl  
HETATM   21  C   UNL     1       1.429  -1.942   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.143  -2.354   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.858  -1.942   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.858  -1.117   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.143  -0.704   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1       3.572  -2.354   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1       0.131   2.354   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       1.298   2.354   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1   20                                            
CONECT    7    5                                                      
CONECT    8    4    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13   19                                            
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   27   28                                       
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   12   21   25                                            
CONECT   20    6                                                      
CONECT   21   19   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   19                                                 
CONECT   26   23                                                      
CONECT   27   16                                                      
CONECT   28   16                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0FR9I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.000   0.825   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.715   0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.000   1.650   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.715   2.062   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.715   2.062   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.429   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.143   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.858   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.858   1.650   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.143   2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.429   1.650   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       2.143   2.888   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.858   3.300   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       2.143  -0.412   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.858  -0.825   0.000  1.00  0.00           C  
HETATM   22  F   UNL     1      -2.858   0.825   0.000  1.00  0.00           F  
HETATM   23  O   UNL     1       0.000  -0.825   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       0.000  -1.650   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.715  -2.062   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.715  -2.888   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.000  -3.300   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.715  -2.888   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.715  -2.062   0.000  1.00  0.00           C  
CONECT    1    2    6   22                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   23                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   12                                                 
CONECT    9    7   10   11                                            
CONECT   10    9                                                      
CONECT   11    9                                                      
CONECT   12    8   13   17                                            
CONECT   13   12   14   20                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   12                                                 
CONECT   18   16   19                                                 
CONECT   19   18                                                      
CONECT   20   13   21                                                 
CONECT   21   20                                                      
CONECT   22    1                                                      
CONECT   23    4   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0FS0D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.289   1.927   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.289   1.102   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.574   0.689   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.860   1.102   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.860   1.927   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.574   2.339   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.145   0.689   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.059  -0.131   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.252  -0.303   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -0.840   0.412   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1      -1.392   1.025   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.672  -0.683   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.457  -0.428   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.070  -0.980   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.898  -1.787   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.114  -2.042   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.501  -1.490   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -1.716  -1.745   0.000  1.00  0.00          Cl  
HETATM   19 CL   UNL     1      -4.511  -2.339   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1      -0.019   0.498   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.466  -0.169   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.291  -0.169   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1       0.091  -0.904   0.000  1.00  0.00           O  
HETATM   24 CL   UNL     1      -2.145   2.339   0.000  1.00  0.00          Cl  
HETATM   25 CL   UNL     1      -5.003   2.339   0.000  1.00  0.00          Cl  
HETATM   26  C   UNL     1       1.703  -0.884   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.528  -0.884   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.941  -1.598   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.766  -1.598   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.178  -0.884   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.766  -0.169   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.941  -0.169   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1       5.003  -0.884   0.000  1.00  0.00           F  
CONECT    1    2    6   25                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   24                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   20                                            
CONECT   11   10    7                                                 
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   18                                            
CONECT   18   17                                                      
CONECT   19   15                                                      
CONECT   20   10   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   26                                                 
CONECT   23   21                                                      
CONECT   24    5                                                      
CONECT   25    1                                                      
CONECT   26   22   27                                                 
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0FS2X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.082   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.082  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.367  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.653  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.653   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.367   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.062   0.619   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.776   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.491   0.619   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       1.491   1.444   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.776   1.856   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.062   1.444   0.000  1.00  0.00           N  
HETATM   13  H   UNL     1       0.062  -1.031   0.000  1.00  0.00           H  
HETATM   14 CL   UNL     1      -1.367  -1.856   0.000  1.00  0.00          Cl  
HETATM   15  C   UNL     1      -2.796   0.619   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.511   1.031   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       2.205   0.206   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       2.291  -0.614   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.098  -0.786   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.511  -0.071   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.959   0.542   0.000  1.00  0.00           N  
CONECT    1    2    6   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   14                                            
CONECT    4    3    5   13                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   17                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    4                                                      
CONECT   14    3                                                      
CONECT   15    1   16                                                 
CONECT   16   15                                                      
CONECT   17    9   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   17                                                 
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0FS3J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.713   0.554   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.228  -0.113   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.556   0.142   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.556   0.967   0.000  1.00  0.00           C  
HETATM    5  S   UNL     1      -0.228   1.221   0.000  1.00  0.00           S  
HETATM    6  C   UNL     1       1.201  -0.372   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.005  -0.189   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.363   0.554   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.005   1.297   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.201   1.481   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.538   0.554   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.950   1.268   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.363   0.554   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.950  -0.160   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.483  -0.898   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       0.100  -1.481   0.000  1.00  0.00           C  
CONECT    1    2    5   11                                            
CONECT    2    1    3   15                                            
CONECT    3    2    4    6                                            
CONECT    4    3    5   10                                            
CONECT    5    4    1                                                 
CONECT    6    3    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    1   12   13   14                                       
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14   11                                                      
CONECT   15    2   16                                                 
CONECT   16   15                                                      
MASTER        0    0    0    0    0    0    0    0   16    0   16    0
END
M  END

$$$$
D0FS4S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.052   2.171   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.052   1.345   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.732   1.091   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.217   1.758   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.732   2.425   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.767   2.583   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.481   2.171   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.481   1.345   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.767   0.933   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -2.196   0.933   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.949   1.268   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.501   0.655   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.089  -0.059   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.282   0.113   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.669  -0.440   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.081  -1.154   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.669  -1.869   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.844  -1.869   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.431  -1.154   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.844  -0.440   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1      -0.431   0.275   0.000  1.00  0.00           F  
HETATM   22  F   UNL     1      -2.081  -2.583   0.000  1.00  0.00           F  
HETATM   23  N   UNL     1       0.987   0.306   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.794   0.134   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       2.346   0.748   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1       2.049  -0.650   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       1.564  -1.318   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.049  -1.985   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.834  -1.730   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.834  -0.905   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       3.501  -2.215   0.000  1.00  0.00           O  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   23                                            
CONECT    4    3    5                                                 
CONECT    5    4    1                                                 
CONECT    6    1    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10   15                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
CONECT   22   17                                                      
CONECT   23    3   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29   26                                                 
CONECT   31   29                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0FS8K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.571   1.237   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.571   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.857  -0.001   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.142   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.142   1.237   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.857   1.649   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.428   1.649   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.428  -0.001   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.428  -0.826   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.713  -1.238   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.713  -2.063   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.001  -2.476   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.716  -2.063   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.716  -1.238   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.001  -0.826   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.713   1.237   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.001   1.649   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.001   2.474   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.713   2.887   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.428   2.474   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.716   2.887   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.430   2.474   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1       0.716   3.712   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       1.430  -2.476   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.430  -3.301   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.144  -3.713   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.859  -3.301   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.859  -2.476   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.144  -2.063   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.144   2.887   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.859   2.474   0.000  1.00  0.00           C  
HETATM   32 CL   UNL     1      -4.286   1.649   0.000  1.00  0.00          Cl  
HETATM   33 CL   UNL     1       3.573  -3.713   0.000  1.00  0.00          Cl  
HETATM   34  C   UNL     1      -0.713   0.412   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.571   2.888   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1       3.571   3.713   0.000  1.00  0.00           O  
HETATM   37  O   UNL     1       4.286   2.476   0.000  1.00  0.00           O  
CONECT    1    2    6   32                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5   16   20                                            
CONECT    8    4    9   34                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   24                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    7   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19    7                                                 
CONECT   21   18   22   23                                            
CONECT   22   21   30                                                 
CONECT   23   21                                                      
CONECT   24   13   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   33                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   22   31                                                 
CONECT   31   30   35                                                 
CONECT   32    1                                                      
CONECT   33   27                                                      
CONECT   34    8                                                      
CONECT   35   31   36   37                                            
CONECT   36   35                                                      
CONECT   37   35                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0FS9X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.044   2.153   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.044   1.331   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.332   0.919   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.620   1.331   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.620   2.153   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.332   2.564   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.162   1.077   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.645   1.742   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1       0.162   2.407   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -2.756   0.919   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.468   1.331   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.416   0.295   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.134  -0.316   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.120  -1.098   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.924  -1.269   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.474  -0.658   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.220   0.124   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.278  -0.829   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.532  -1.611   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.336  -1.782   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       3.886  -1.171   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       3.632  -0.389   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.828  -0.218   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.183   0.222   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.591  -2.564   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.183   0.918   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.056   2.045   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.881   2.045   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    2   11                                                 
CONECT   11   10   26   27   28                                       
CONECT   12    7   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   12                                                 
CONECT   18   16   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   18                                                 
CONECT   24   22                                                      
CONECT   25   20                                                      
CONECT   26   11                                                      
CONECT   27   11   28                                                 
CONECT   28   27   11                                                 
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0FT1X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287  -0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287  -1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572  -1.856   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858  -0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.572  -0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.143   0.619   0.000  1.00  0.00           O  
HETATM    9  N   UNL     1      -1.429  -0.619   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -0.714  -0.206   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.000  -0.619   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.714  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.429  -0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.143  -0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.143   0.619   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.429   1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.714   0.619   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.858   1.031   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       3.572   0.619   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.858   1.856   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -5.001  -1.856   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       3.572  -0.206   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.287  -0.619   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       5.001  -0.206   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.001   0.619   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.287   1.031   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   21                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   19   20                                            
CONECT   19   18   22   26                                            
CONECT   20   18                                                      
CONECT   21    2                                                      
CONECT   22   19   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   19                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0FU0I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.368   1.648   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.368   0.823   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.654   0.411   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.939   0.823   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.939   1.648   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.654   2.060   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1      -4.482  -0.396   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.662  -0.482   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.326   0.271   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.225   2.060   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.520   0.443   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.713   0.614   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.906   0.786   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.354   0.173   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.453   0.344   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.708   1.129   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.156   1.742   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.651   1.570   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.005  -0.269   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.811  -0.097   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.395  -0.680   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.181  -1.477   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.764  -2.060   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.561  -1.847   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.775  -1.050   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.191  -0.467   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       2.025   0.700   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       4.571  -0.837   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1       5.368  -0.623   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1       4.785  -0.040   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1       5.154  -1.420   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    4   11                                            
CONECT   10    5                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   15   20                                                 
CONECT   20   19   21   27                                            
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   21                                                 
CONECT   27   20                                                      
CONECT   28   25   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0FU2M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.960   1.543   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.163   1.757   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.366   1.543   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.373   0.829   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.576   1.042   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.779   0.829   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.576   2.471   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.982   1.042   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.779   0.004   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.493  -0.409   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.493  -1.234   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.779  -1.646   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.064  -1.234   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.064  -0.409   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.398   0.459   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.398   0.672   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       0.982   0.089   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.779   0.303   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.362  -0.281   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.159  -0.067   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.373   0.730   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.789   1.313   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.992   1.099   0.000  1.00  0.00           O  
HETATM   24  F   UNL     1      -1.779  -2.471   0.000  1.00  0.00           F  
CONECT    1    2    4                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    6                                                 
CONECT    4    1    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    3    8    9                                       
CONECT    7    2    5                                                 
CONECT    8    6   15                                                 
CONECT    9    6   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   24                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    8   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   12                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0FU6L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.692   1.175   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.692   0.350   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.407  -0.063   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.121   0.350   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.121   1.175   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.407   1.587   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.022   1.587   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.022   2.412   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.737   2.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.451   2.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.451   1.587   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.737   1.175   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.166   2.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.880   2.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.880   1.587   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.166   1.175   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.166   0.350   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.880  -0.063   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1      -1.451  -0.063   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.880  -0.888   0.000  1.00  0.00           C  
HETATM   21  S   UNL     1      -3.548  -1.373   0.000  1.00  0.00           S  
HETATM   22  C   UNL     1      -3.293  -2.157   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.468  -2.157   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.213  -1.373   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.983  -2.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.833   1.587   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       2.421   2.302   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       3.548   2.000   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1       3.246   0.873   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   26                                            
CONECT    6    5    1                                                 
CONECT    7    1    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12   16                                            
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11   17                                            
CONECT   17   16   18   19                                            
CONECT   18   17   20                                                 
CONECT   19   17                                                      
CONECT   20   18   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   20                                                 
CONECT   25   23                                                      
CONECT   26    5   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END

$$$$

$$$$

$$$$
D0FV3G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -0.996   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -1.821   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.786  -2.234   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.072  -1.821   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072  -0.996   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.786  -0.584   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.357  -2.234   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.357  -1.821   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.357  -0.996   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.357  -0.584   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.215  -2.234   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.958   0.223   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.778   0.309   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -3.114  -0.444   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.406   0.836   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.599   0.665   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.047   1.278   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.302   2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.109   2.234   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.661   1.621   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.072  -0.584   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.786  -0.996   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1       1.072   0.241   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       2.501  -0.584   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.215  -0.996   0.000  1.00  0.00           C  
HETATM   26 CL   UNL     1      -2.468   1.792   0.000  1.00  0.00          Cl  
CONECT    1    2    6   14                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   12                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   21                                            
CONECT   10    9    5                                                 
CONECT   11    2                                                      
CONECT   12    6   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    1                                                 
CONECT   15   12   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   26                                            
CONECT   21    9   22   23                                            
CONECT   22   21   24                                                 
CONECT   23   21                                                      
CONECT   24   22   25                                                 
CONECT   25   24                                                      
CONECT   26   20                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0FV9R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNK A   0      -4.644  -0.069   0.000  1.00  0.00           C  
HETATM    2  C   UNK A   0      -3.930   0.343   0.000  1.00  0.00           C  
ATOM      3  N   LEU A   1      -3.215  -0.069   0.000  1.00  0.00           N  
ATOM      4  CA  LEU A   1      -2.501   0.343   0.000  1.00  0.00           C  
ATOM      5  C   LEU A   1      -1.786  -0.069   0.000  1.00  0.00           C  
ATOM      6  N   LEU A   2      -1.072   0.343   0.000  1.00  0.00           N  
ATOM      7  CA  LEU A   2      -0.357  -0.069   0.000  1.00  0.00           C  
ATOM      8  C   LEU A   2       0.357   0.343   0.000  1.00  0.00           C  
HETATM    9  N   UNK A   3       1.072  -0.069   0.000  1.00  0.00           N  
HETATM   10  C   UNK A   3       1.786   0.343   0.000  1.00  0.00           C  
HETATM   11  C   UNK A   3       2.501  -0.069   0.000  1.00  0.00           C  
HETATM   12  H   UNK A   3       3.215   0.343   0.000  1.00  0.00           H  
HETATM   13  O   UNK A   3       2.501  -0.894   0.000  1.00  0.00           O  
HETATM   14  C   UNK A   3       1.786   1.168   0.000  1.00  0.00           C  
HETATM   15  C   UNK A   3       2.501   1.581   0.000  1.00  0.00           C  
HETATM   16  C   UNK A   3       3.215   1.168   0.000  1.00  0.00           C  
HETATM   17  C   UNK A   3       3.930   1.581   0.000  1.00  0.00           C  
HETATM   18  C   UNK A   3       4.644   1.168   0.000  1.00  0.00           C  
ATOM     19  O   LEU A   2       0.357   1.168   0.000  1.00  0.00           O  
ATOM     20  CB  LEU A   2      -0.357  -0.894   0.000  1.00  0.00           C  
ATOM     21  CG  LEU A   2      -0.770  -1.609   0.000  1.00  0.00           C  
ATOM     22  CD1 LEU A   2      -1.567  -1.822   0.000  1.00  0.00           C  
ATOM     23  CD2 LEU A   2      -0.556  -2.406   0.000  1.00  0.00           C  
ATOM     24  O   LEU A   1      -1.786  -0.894   0.000  1.00  0.00           O  
ATOM     25  CB  LEU A   1      -2.501   1.168   0.000  1.00  0.00           C  
ATOM     26  CG  LEU A   1      -1.786   1.581   0.000  1.00  0.00           C  
ATOM     27  CD1 LEU A   1      -1.786   2.406   0.000  1.00  0.00           C  
ATOM     28  CD2 LEU A   1      -0.989   1.367   0.000  1.00  0.00           C  
HETATM   29  O   UNK A   0      -3.930   1.168   0.000  1.00  0.00           O  
CONECT    1    2                                                      
CONECT    2    1    3   29                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   25                                            
CONECT    5    4    6   24                                            
CONECT    6    5    7                                                 
CONECT    7    6    8   20                                            
CONECT    8    7    9   19                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14   10   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17                                                      
CONECT   19    8                                                      
CONECT   20    7   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24    5                                                      
CONECT   25    4   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29    2                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0FV9Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.971  -2.093   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.146  -2.093   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.734  -1.378   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.146  -0.664   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.971  -0.664   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.384  -1.378   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.734   0.051   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.091   0.051   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.504   0.765   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.091   1.480   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.734   1.480   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.146   0.765   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.504  -0.664   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.329  -0.664   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.741   0.051   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.329   0.765   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       0.091  -1.378   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.566   0.051   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.154   0.765   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.286   2.093   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1      -2.039   1.757   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.953   0.937   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.566   0.385   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.820  -0.098   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.106  -0.511   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   24                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10   16                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   20                                            
CONECT   12   11    7   22                                            
CONECT   13    8   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   18   19                                       
CONECT   16   15    9                                                 
CONECT   17   13                                                      
CONECT   18   15                                                      
CONECT   19   15                                                      
CONECT   20   11   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   12   23                                            
CONECT   23   22                                                      
CONECT   24    5   25                                                 
CONECT   25   24                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0FW3M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.454  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.742   0.205   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.028  -0.207   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.313   0.205   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.313   1.030   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.028   1.443   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.742   1.030   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.601   1.442   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.113   1.029   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.113   0.204   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.601  -0.208   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.601  -1.033   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.113  -1.446   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.828  -1.033   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.828  -0.208   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.540   0.203   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.252  -0.208   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       1.540   1.025   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.966   0.204   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.681  -0.208   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.681  -1.033   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.395  -1.446   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       5.110  -1.033   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       5.110  -0.208   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.395   0.204   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1       5.822   0.203   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1       5.822  -1.444   0.000  1.00  0.00           F  
HETATM   28  C   UNL     1       2.966   1.029   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.208   0.130   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.760  -0.483   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -4.347  -1.198   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1      -3.540  -1.026   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.463   0.915   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1      -5.270   1.086   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1      -5.822   0.473   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1      -5.567  -0.312   0.000  1.00  0.00           N  
HETATM   37  N   UNL     1      -3.911   1.528   0.000  1.00  0.00           N  
HETATM   38  C   UNL     1      -0.601   2.267   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       0.113  -2.267   0.000  1.00  0.00           C  
HETATM   40  N   UNL     1      -1.300  -2.267   0.000  1.00  0.00           N  
CONECT    1    2   29   32                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    7                                                 
CONECT    7    6    2                                                 
CONECT    8    5    9   38                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   39                                            
CONECT   14   13   15                                                 
CONECT   15   14   10   16                                            
CONECT   16   15   17   18                                            
CONECT   17   16   19                                                 
CONECT   18   16                                                      
CONECT   19   17   20   28                                            
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   27                                            
CONECT   24   23   25   26                                            
CONECT   25   24   20                                                 
CONECT   26   24                                                      
CONECT   27   23                                                      
CONECT   28   19                                                      
CONECT   29    1   30   33                                            
CONECT   30   29   31   36                                            
CONECT   31   30   32                                                 
CONECT   32   31    1                                                 
CONECT   33   29   34   37                                            
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   30                                                 
CONECT   37   33                                                      
CONECT   38    8                                                      
CONECT   39   40   13                                                 
CONECT   40   39                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END

$$$$

$$$$

$$$$
D0FW5Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.866  -0.976   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.866  -1.801   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.151  -2.213   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.564  -1.801   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.564  -0.976   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.151  -0.564   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -1.580  -0.564   0.000  1.00  0.00          Cl  
HETATM    8  O   UNL     1      -1.580  -2.213   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.294  -1.801   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.278  -0.564   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       1.992  -0.976   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       1.278   0.262   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.707  -1.087   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.119  -1.801   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.690   0.976   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.866   0.976   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.405   1.389   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       3.119   0.976   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       2.405   2.213   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    2    9                                                 
CONECT    9    8   13   14                                            
CONECT   10    5   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   15   16                                            
CONECT   13    9   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16   17                                            
CONECT   16   15   12                                                 
CONECT   17   15   18   19                                            
CONECT   18   17                                                      
CONECT   19   17                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D0FW5U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.490   1.744   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.490   0.919   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.775   0.507   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.061   0.919   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.061   1.744   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.775   2.157   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.204   0.507   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.204  -0.318   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.490  -0.731   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.490  -1.556   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.775  -1.968   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.061  -1.556   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.061  -0.731   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.775  -0.318   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.654   2.157   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.368   1.744   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       0.654   2.982   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.083   2.157   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.797   1.744   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.654  -1.968   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.919   0.919   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.740  -2.788   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       1.547  -2.960   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.959  -2.245   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.407  -1.632   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.005   1.740   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.812   1.911   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.224   1.197   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.672   0.584   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.510   2.157   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       3.510   2.982   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       4.224   1.744   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       2.780  -2.157   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1       2.780  -1.332   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1       3.605  -2.157   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1       2.780  -2.982   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   15                                            
CONECT    6    5    1                                                 
CONECT    7    2    8   21                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   20                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    5   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   19                                                 
CONECT   19   18   30                                                 
CONECT   20   12   22   25                                            
CONECT   21    7   26   29                                            
CONECT   22   20   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   33                                            
CONECT   25   24   20                                                 
CONECT   26   21   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   21                                                 
CONECT   30   19   31   32                                            
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   24   34   35   36                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0FX6I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.715   2.681   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.715   1.856   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.000   1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.715   1.856   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.715   2.681   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.000   3.094   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -1.429   3.094   0.000  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -1.429   1.444   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.429   1.444   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       2.143   1.856   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.858   1.444   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       2.143   2.681   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       2.858   0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.572   0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.287   0.619   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.287   1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.572   1.856   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1       3.572   2.681   0.000  1.00  0.00          Cl  
HETATM   19  C   UNL     1       3.572  -0.619   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       4.287  -1.031   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       4.287  -1.856   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       5.001  -2.269   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       3.572  -2.269   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.858  -1.856   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.572  -3.094   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.572  -1.444   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.429   0.619   0.000  1.00  0.00           O  
HETATM   28  N   UNL     1      -2.143   1.856   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.858   1.444   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.572   1.856   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.287   1.444   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.287   0.619   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.572   0.206   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.858   0.619   0.000  1.00  0.00           C  
HETATM   35 BR   UNL     1      -5.001   0.206   0.000  1.00  0.00          Br  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    2   27   28                                            
CONECT    9    4   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10   13   17                                            
CONECT   12   10                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   11   18                                            
CONECT   18   17                                                      
CONECT   19   14   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21                                                      
CONECT   23   21   24   25   26                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23                                                      
CONECT   27    8                                                      
CONECT   28    8   29                                                 
CONECT   29   28   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   35                                            
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0FX7I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.484  -1.460   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.484  -2.285   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.770  -2.697   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.055  -2.285   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.055  -1.460   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.770  -1.047   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.659  -2.697   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.374  -2.285   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.374  -1.460   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.659  -1.047   0.000  1.00  0.00           C  
HETATM   11  S   UNL     1       0.659  -0.222   0.000  1.00  0.00           S  
HETATM   12  O   UNL     1      -0.166  -0.222   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1       1.484  -0.222   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1       0.659   0.603   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.327   1.088   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.072   1.872   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.247   1.872   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.008   1.088   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -0.770  -0.222   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1       0.247   2.697   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       1.072   2.697   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   19                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   12   13   14                                       
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14   11   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   17   15   21                                            
CONECT   17   16   18   20                                            
CONECT   18   14   17                                                 
CONECT   19    6                                                      
CONECT   20   17   21                                                 
CONECT   21   20   16                                                 
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0FY1Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.807   0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.807   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.092  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.378   0.000   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.378   0.825   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.092   1.238   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       0.337  -0.412   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       1.051   0.000   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       1.766  -0.412   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       1.766  -1.238   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       2.480  -1.650   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.195  -1.238   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       3.195  -0.412   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.480   0.000   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.480  -2.475   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.195  -2.888   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.909  -2.475   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.909  -1.650   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.480   0.825   0.000  1.00  0.00           N  
HETATM   20  S   UNL     1       3.195   1.238   0.000  1.00  0.00           S  
HETATM   21  C   UNL     1       3.909   1.650   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       2.782   1.952   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       3.607   0.523   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       3.909   2.475   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.624   2.888   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.521   1.238   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.607   2.058   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.414   2.229   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1      -3.827   1.515   0.000  1.00  0.00           N  
HETATM   30  N   UNL     1      -3.275   0.902   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -4.624   1.302   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.337  -1.238   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1      -0.488  -1.238   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       0.337  -2.062   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1       1.161  -1.238   0.000  1.00  0.00           F  
CONECT    1    2    6   26                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   32                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13   18                                            
CONECT   13   12   14                                                 
CONECT   14   13    9   19                                            
CONECT   15   11   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   12                                                 
CONECT   19   14   20                                                 
CONECT   20   19   21   22   23                                       
CONECT   21   20   24                                                 
CONECT   22   20                                                      
CONECT   23   20                                                      
CONECT   24   21   25                                                 
CONECT   25   24                                                      
CONECT   26    1   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29   26                                                 
CONECT   31   29                                                      
CONECT   32   33   34   35    7                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0FY2Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.001  -0.411   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.001  -1.236   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.287  -1.649   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.572  -1.236   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.572  -0.411   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.287   0.001   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -5.716   0.001   0.000  1.00  0.00          Cl  
HETATM    8  N   UNL     1      -2.858  -1.649   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.143  -1.236   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.429  -1.649   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.714  -1.236   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.143  -0.411   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.000  -1.649   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.714  -1.236   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.714  -0.411   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.000   0.001   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.714  -0.411   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.429   0.001   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.143  -0.411   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.143  -1.236   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.858  -1.649   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.572  -1.236   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.572  -0.411   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.858   0.001   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.287   0.001   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       5.001  -0.411   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       5.716   0.001   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       4.287   0.826   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.287   0.826   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1      -3.465   0.826   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -4.287   1.649   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -5.109   0.826   0.000  1.00  0.00           F  
HETATM   33  O   UNL     1       2.858   0.826   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1       2.146   1.238   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6   29    5    1                                            
CONECT    7    1                                                      
CONECT    8    4    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11                                                 
CONECT   11   10   13   17                                            
CONECT   12    9                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   11                                                 
CONECT   18   15   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   33   23   19                                            
CONECT   25   23   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26                                                      
CONECT   28   25                                                      
CONECT   29   30   31   32    6                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
CONECT   33   34   24                                                 
CONECT   34   33                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0FY9K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -0.702   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -1.527   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -1.940   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -1.527   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072  -0.702   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786  -0.290   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.357  -1.940   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.357  -1.527   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.357  -0.702   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.357  -0.290   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.072  -0.290   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.786  -0.702   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.501  -0.290   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.501   0.535   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.786   0.948   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.072   0.535   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.357   0.948   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.357   1.773   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       3.215   0.948   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       3.215   1.773   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.357  -2.765   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1      -1.786  -2.765   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.501  -3.177   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.215  -0.290   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.215   0.535   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.357   2.185   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.444   3.006   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.250   3.177   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -1.663   2.463   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -1.111   1.850   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.488   2.463   0.000  1.00  0.00           C  
CONECT    1    2    6   24                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   22                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   21                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   11   17                                            
CONECT   17   16   18                                                 
CONECT   18   17   26                                                 
CONECT   19   14   20                                                 
CONECT   20   19                                                      
CONECT   21    7                                                      
CONECT   22    3   23                                                 
CONECT   23   22                                                      
CONECT   24    1   25                                                 
CONECT   25   24                                                      
CONECT   26   18   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29   26                                                 
CONECT   31   29                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0FZ5R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.655   1.266   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.889   0.475   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.208   0.008   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.554   0.511   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.830   1.288   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1      -2.157   1.921   0.000  1.00  0.00           O  
HETATM    7  O   UNL     1      -1.187  -0.816   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.666   0.200   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.237   0.277   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.450  -0.520   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.133  -1.103   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.081  -1.900   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.877  -2.114   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.461  -1.530   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.247  -0.733   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.831  -0.150   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.627  -0.363   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.841  -1.160   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.638  -1.374   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.221  -0.790   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.008   0.006   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.211   0.220   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.294   0.735   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.071   0.459   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.221  -0.352   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.594  -0.888   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.816  -0.612   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.830   2.114   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.116   1.701   0.000  1.00  0.00           C  
HETATM   30  S   UNL     1      -4.030   0.929   0.000  1.00  0.00           S  
HETATM   31  C   UNL     1      -3.316   0.517   0.000  1.00  0.00           C  
CONECT    1    2    5    6                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    1   28   29                                       
CONECT    6    1                                                      
CONECT    7    3                                                      
CONECT    8    2   23   27                                            
CONECT    9    4   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10   16                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23    8   24                                                 
CONECT   24   23   25   30                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26    8                                                 
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30   24   31                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0G0EG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.148   0.099   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.148  -0.726   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.434  -1.139   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.719  -0.726   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.719   0.099   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.434   0.511   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.933   0.354   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.418  -0.314   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.933  -0.981   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -3.188   1.139   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1      -4.243  -0.314   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.005   0.511   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.148   0.099   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.148  -0.726   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.434  -1.139   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.719  -0.726   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.719   0.099   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.434   0.511   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.933   0.354   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.418  -0.314   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.933  -0.981   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1       3.188   1.139   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       4.243  -0.314   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   12                                            
CONECT    6    5    1                                                 
CONECT    7    1    8   10                                            
CONECT    8    7    9   11                                            
CONECT    9    8    2                                                 
CONECT   10    7                                                      
CONECT   11    8                                                      
CONECT   12    5   17                                                 
CONECT   13   14   18   19                                            
CONECT   14   13   15   21                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   12                                            
CONECT   18   17   13                                                 
CONECT   19   13   20   22                                            
CONECT   20   19   21   23                                            
CONECT   21   20   14                                                 
CONECT   22   19                                                      
CONECT   23   20                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0G1CF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.501  -0.206   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.215   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.072  -0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.357   0.206   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.357   1.031   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.072   1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.786   1.031   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.072   2.269   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1       0.357  -0.206   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.072  -1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.357  -1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.357  -1.856   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.072  -2.269   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.644   0.206   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       0.357   1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.072   1.031   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.072   0.206   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.501   0.206   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.501   1.031   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       1.786   1.444   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       3.215  -0.206   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.930   0.206   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.930   1.031   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.215   1.444   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.786  -1.031   0.000  1.00  0.00           C  
HETATM   32 CL   UNL     1       4.644  -0.206   0.000  1.00  0.00          Cl  
CONECT    1    2    6   19                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9   15                                            
CONECT    9    8   10   14                                            
CONECT   10    9   11   20                                            
CONECT   11   10   12   13                                            
CONECT   12   11    7                                                 
CONECT   13   11                                                      
CONECT   14    9                                                      
CONECT   15    8   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17                                                      
CONECT   19    1                                                      
CONECT   20   10   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   31                                            
CONECT   24   23   25   27                                            
CONECT   25   24   26   30                                            
CONECT   26   25   21                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29   32                                            
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   23                                                      
CONECT   32   28                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0G1JR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.907  -1.746   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.907  -2.571   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       3.621  -2.983   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       4.336  -2.571   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       4.336  -1.746   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       3.621  -1.333   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       3.621  -0.508   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       5.050  -2.983   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.192  -2.983   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.192  -1.333   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.478  -1.746   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.763  -1.333   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.049  -1.746   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       0.763  -0.508   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.705  -1.410   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.257  -2.023   0.000  1.00  0.00           C  
HETATM   17  S   UNL     1      -0.844  -2.738   0.000  1.00  0.00           S  
HETATM   18  C   UNL     1      -0.037  -2.566   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.876  -0.603   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.077  -1.937   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.413  -1.183   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.928  -0.516   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.264   0.238   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.084   0.324   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.569  -0.344   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.233  -1.097   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -3.420   1.078   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.124   1.848   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.894   2.143   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.190   1.373   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.230   2.897   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -5.050   2.983   0.000  1.00  0.00           C  
HETATM   33  H   UNL     1      -2.599   0.991   0.000  1.00  0.00           H  
HETATM   34  C   UNL     1      -2.562  -2.605   0.000  1.00  0.00           C  
HETATM   35  H   UNL     1      -3.127  -1.596   0.000  1.00  0.00           H  
CONECT    1    2    6   10                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    4                                                      
CONECT    9    2                                                      
CONECT   10    1   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   15   18                                            
CONECT   14   12                                                      
CONECT   15   13   16   19                                            
CONECT   16   15   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   15                                                      
CONECT   20   16   21   34                                            
CONECT   21   20   22   26   35                                       
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27   33                                       
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   24   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29   27                                                 
CONECT   31   29   32                                                 
CONECT   32   31                                                      
CONECT   33   24                                                      
CONECT   34   20                                                      
CONECT   35   21                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0G1LL
  -OEChem-09301911282D

 51 54  0     1  0  0  0  0  0999 V2000
   10.0029    2.6830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.0030    3.6830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0030    2.6830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3479   -2.9048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2709   -0.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5878   -1.0079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4049   -1.8170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5878   -2.6260    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479   -0.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5388   -1.3170    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5910    0.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6400    0.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1369   -2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6369   -3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6369   -3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1369   -1.8170    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5388   -1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5389   -2.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2709   -1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0030   -1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0030   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1369    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8690    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1369    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8690    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0030    1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0030    2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3678   -0.7036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0796   -0.0785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8821    0.8506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7262    1.2262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0203    0.5906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5380   -2.6565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0543   -3.4710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5293   -4.2936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7446   -4.2936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2195   -3.4710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -2.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0138   -0.9185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3784   -1.9159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3962   -0.4182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4049   -2.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2150   -1.8996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6135   -1.2093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3962   -3.2157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000   -0.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4059   -0.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000    1.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4059    1.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 29  1  0  0  0  0
  3 29  1  0  0  0  0
  4 19  2  0  0  0  0
  5 20  2  0  0  0  0
  6 22  2  0  0  0  0
  7 11  1  0  0  0  0
  7 22  1  0  0  0  0
  7 43  1  0  0  0  0
  8 18  1  0  0  0  0
  8 20  1  0  0  0  0
  8 44  1  0  0  0  0
  9 19  1  0  0  0  0
  9 22  1  0  0  0  0
  9 47  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 30  1  0  0  0  0
 11 18  1  6  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 20  1  1  0  0  0
 17 21  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 21 23  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 48  1  0  0  0  0
 25 27  2  0  0  0  0
 25 49  1  0  0  0  0
 26 28  2  0  0  0  0
 26 50  1  0  0  0  0
 27 28  1  0  0  0  0
 27 51  1  0  0  0  0
 28 29  1  0  0  0  0
M  END

$$$$
D0G1LS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.981  -0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.981  -1.238   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.266  -1.650   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.552  -1.238   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.552  -0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.266   0.000   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.837   0.000   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.123  -0.412   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.837   0.825   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       0.592   0.000   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.306  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.306  -1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.021  -1.650   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.735  -1.238   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.735  -0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.021   0.000   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.266   0.825   0.000  1.00  0.00           C  
HETATM   18  F   UNL     1      -3.091   0.825   0.000  1.00  0.00           F  
HETATM   19  F   UNL     1      -2.266   1.650   0.000  1.00  0.00           F  
HETATM   20  F   UNL     1      -1.441   0.825   0.000  1.00  0.00           F  
HETATM   21  O   UNL     1       2.377   0.622   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       3.091   0.209   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   17                                            
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11   21                                            
CONECT   17    6   18   19   20                                       
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20   17                                                      
CONECT   21   16   22                                                 
CONECT   22   21                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0G2SI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.923  -0.206   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.923  -1.031   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.209  -1.444   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.506  -1.031   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.506  -0.206   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.209   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.290  -1.286   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.775  -0.619   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.290   0.049   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.545  -2.071   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.209   1.031   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.993  -2.684   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.352  -2.242   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.923   1.444   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.923   2.269   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.209   2.681   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.209   3.506   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.923   3.919   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.638   3.506   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.638   2.681   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.638   1.031   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.638  -1.444   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.638  -2.269   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.352  -2.681   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.352  -3.506   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.638  -3.919   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.923  -3.506   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -0.923  -2.681   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   22                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    7   12   13                                            
CONECT   11    6   14                                                 
CONECT   12   10                                                      
CONECT   13   10                                                      
CONECT   14   11   15   21                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   14                                                      
CONECT   22    2   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0G2TL
  -OEChem-09301911272D

 48 49  0     1  0  0  0  0  0999 V2000
    4.8398    0.1432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6166   -5.7665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5148    2.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3854   -3.2349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0179   -6.7846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6002   -6.0801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7828    2.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7867   -4.2530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3808    6.7310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6488    6.7310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1989   -5.0620    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2044   -4.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9677   -2.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3800   -3.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5610   -1.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1488   -0.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6056   -5.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9623   -2.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6488    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1488   -0.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4578    0.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5148    3.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6488    1.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5148    5.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3808    3.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6488    3.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3808    4.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6488    4.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5148    6.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8155   -5.1268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4033   -4.3178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3753   -4.3615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6471   -4.6857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9444   -1.5521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8975   -3.2516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5789   -2.6998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0271   -2.0184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5132   -1.3095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0475    0.3348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9178    3.4210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1119    3.4210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9178    5.0410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1119    5.0410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.7017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2700   -7.3510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3808    7.3510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9178    6.4210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6488    7.3510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 19  1  0  0  0  0
  2 12  1  0  0  0  0
  2 44  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4 14  2  0  0  0  0
  5 17  1  0  0  0  0
  5 45  1  0  0  0  0
  6 17  2  0  0  0  0
  7 23  2  0  0  0  0
 11  8  1  6  0  0  0
  8 14  1  0  0  0  0
  8 31  1  0  0  0  0
  9 29  1  0  0  0  0
  9 46  1  0  0  0  0
  9 47  1  0  0  0  0
 10 29  2  0  0  0  0
 10 48  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 11 30  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 16 20  2  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 21  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  0  0  0  0
 25 27  1  0  0  0  0
 25 40  1  0  0  0  0
 26 28  2  0  0  0  0
 26 41  1  0  0  0  0
 27 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  END

$$$$
D0G2TX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.628  -0.301   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.212  -0.884   0.000  1.00  0.00           C  
HETATM    3  O   UNL     1      -1.837  -1.619   0.000  1.00  0.00           O  
HETATM    4  N   UNL     1      -1.022  -1.490   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.893  -0.676   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.158  -0.301   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.534  -0.750   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.269  -0.376   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.312   0.448   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.620   0.897   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.115   0.523   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.047   0.823   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       2.739   0.373   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       3.474   0.748   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.166   0.298   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       3.688   1.545   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1       4.209  -0.525   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       5.006  -0.739   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       5.455  -0.047   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.936   0.594   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       5.150   1.391   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       2.261   1.619   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.026  -0.755   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.322   0.015   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.137   0.144   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.511   0.879   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.326   0.750   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.455  -0.065   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.720  -0.439   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3   23                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    1    6                                            
CONECT    6    5    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11                                                 
CONECT   11   10    6                                                 
CONECT   12    9   13   22                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   17   20                                            
CONECT   16   14                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
CONECT   22   12                                                      
CONECT   23    2   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   25                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0G3DM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.211   2.764   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.211   1.939   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.426   1.684   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.941   2.351   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.426   3.019   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.878   3.249   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.792   4.069   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.038   4.405   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.171   0.899   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.364   0.728   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -2.723   0.286   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.650   1.140   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.065   0.728   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.779   1.140   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.779   1.965   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.065   2.378   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.650   1.965   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.494   0.728   0.000  1.00  0.00           C  
HETATM   19  S   UNL     1       1.580  -0.093   0.000  1.00  0.00           S  
HETATM   20  C   UNL     1       2.387  -0.264   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.799   0.450   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1       2.247   1.063   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.722  -1.678   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.237  -2.345   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.573  -3.099   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.393  -3.185   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.878  -2.518   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.543  -1.764   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.237  -3.853   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       2.850  -4.405   0.000  1.00  0.00           N  
HETATM   31  N   UNL     1       3.565  -3.992   0.000  1.00  0.00           N  
HETATM   32  N   UNL     1       2.173  -1.061   0.000  1.00  0.00           N  
CONECT    1    2    5    6                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    1                                                 
CONECT    6    1    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7                                                      
CONECT    9    3   10   11                                            
CONECT   10    9   12                                                 
CONECT   11    9                                                      
CONECT   12   10   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   14   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   32                                            
CONECT   21   20   22                                                 
CONECT   22   21   18                                                 
CONECT   23   24   28   32                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   25   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   20   23                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0G3IL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.079   0.497   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.079  -0.328   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.294  -0.583   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.809   0.085   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.294   0.752   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.863   0.752   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.348   0.085   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.863  -0.583   0.000  1.00  0.00           C  
HETATM    9  H   UNL     1      -2.079   1.322   0.000  1.00  0.00           H  
HETATM   10  H   UNL     1      -2.079  -1.153   0.000  1.00  0.00           H  
HETATM   11  N   UNL     1      -0.095   0.497   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.095  -0.328   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.620   0.085   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.334   0.497   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       2.049   0.085   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1       1.334   1.322   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       2.135  -0.736   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.942  -0.907   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.354  -0.193   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.802   0.420   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1       4.175  -0.106   0.000  1.00  0.00           F  
HETATM   22  C   UNL     1      -4.175   0.086   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.350   0.086   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.540  -1.322   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.337  -1.109   0.000  1.00  0.00           N  
CONECT    1    2    5    6    9                                       
CONECT    2    1    3    8   10                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   11   12                                       
CONECT    5    4    1                                                 
CONECT    6    1    7                                                 
CONECT    7    6    8   22                                            
CONECT    8    7    2                                                 
CONECT    9    1                                                      
CONECT   10    2                                                      
CONECT   11    4   13                                                 
CONECT   12    4                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   17   20                                            
CONECT   16   14                                                      
CONECT   17   15   18   24                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   15                                                 
CONECT   21   19                                                      
CONECT   22    7   23                                                 
CONECT   23   22                                                      
CONECT   24   17   25                                                 
CONECT   25   24                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0G3KY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.001   0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.001  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.287  -0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.572  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.572   0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.287   1.031   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.858  -0.619   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.143   0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.858   1.031   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.429   1.031   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.715   0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.715  -0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.000  -0.619   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.715  -0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.715   0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.000   1.031   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1       0.000   1.856   0.000  1.00  0.00          Cl  
HETATM   19 CL   UNL     1      -1.429  -0.619   0.000  1.00  0.00          Cl  
HETATM   20  N   UNL     1       1.429  -0.619   0.000  1.00  0.00           N  
HETATM   21  S   UNL     1       2.143  -0.206   0.000  1.00  0.00           S  
HETATM   22  C   UNL     1       2.858  -0.619   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       2.143   0.619   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       2.143  -1.031   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       2.858  -1.444   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.572  -1.856   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.287  -1.444   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.287  -0.619   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.572  -0.206   0.000  1.00  0.00           C  
HETATM   30 CL   UNL     1       3.572   0.619   0.000  1.00  0.00          Cl  
HETATM   31 CL   UNL     1       5.001  -1.856   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   19                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   18                                            
CONECT   18   17                                                      
CONECT   19   13                                                      
CONECT   20   15   21                                                 
CONECT   21   20   22   23   24                                       
CONECT   22   21   25   29                                            
CONECT   23   21                                                      
CONECT   24   21                                                      
CONECT   25   22   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   22   30                                            
CONECT   30   29                                                      
CONECT   31   27                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0G3NC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       1.058   3.959   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       1.058   3.137   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.769   2.725   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       2.481   3.137   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.481   3.959   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.769   4.370   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.276   4.213   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.208   3.548   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.276   2.882   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.022   2.101   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.603   1.519   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1      -0.783   1.930   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.390   0.725   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.377   0.430   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.334  -0.391   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.460  -0.603   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       0.907   0.086   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.730   0.086   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.141  -0.626   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.963  -0.626   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.374   0.086   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.963   0.798   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.141   0.798   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.973  -0.908   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.741  -0.613   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.380  -1.131   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.251  -1.943   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -1.484  -2.237   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.845  -1.720   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.890  -2.460   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.684  -2.247   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.132  -2.937   0.000  1.00  0.00           C  
HETATM   33  S   UNL     1      -3.615  -3.576   0.000  1.00  0.00           S  
HETATM   34  C   UNL     1      -2.847  -3.281   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1      -4.196  -4.157   0.000  1.00  0.00           O  
HETATM   36  O   UNL     1      -3.402  -4.370   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1       4.196   0.086   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    2   10                                            
CONECT   10    9   11   12                                            
CONECT   11   10   13                                                 
CONECT   12   10                                                      
CONECT   13   11   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   24                                            
CONECT   16   15   17                                                 
CONECT   17   16   13   18                                            
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   37   20   22                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   15   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27   31   34                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   35   36                                       
CONECT   34   33   30                                                 
CONECT   35   33                                                      
CONECT   36   33                                                      
CONECT   37   21                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0G3QD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.683  -1.018   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.683  -1.843   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.968  -2.256   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.254  -1.843   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.254  -1.018   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.968  -0.606   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.539  -0.606   0.000  1.00  0.00           C  
HETATM    8  S   UNL     1      -0.786  -0.941   0.000  1.00  0.00           S  
HETATM    9  C   UNL     1      -0.234  -0.328   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.646   0.387   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.453   0.215   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.587  -0.414   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       0.922  -1.168   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.072   0.253   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.892   0.167   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.377   0.834   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.198   0.748   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.683   1.416   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.347   2.169   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.527   2.256   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.042   1.588   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11                                                 
CONECT   11   10    7                                                 
CONECT   12    9   13   14                                            
CONECT   13   12                                                      
CONECT   14   12   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0G3UV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.113   0.225   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.399  -0.188   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.684   0.225   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.030  -0.188   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.745   0.225   0.000  1.00  0.00           N  
HETATM    6  O   UNL     1       0.030  -1.013   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.327   1.022   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.151   1.065   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.446   0.294   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -2.805  -0.225   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.805  -1.050   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.519  -1.462   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.519  -2.287   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.805  -2.700   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.091  -2.287   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.091  -1.462   0.000  1.00  0.00           C  
HETATM   17 CL   UNL     1      -1.376  -2.700   0.000  1.00  0.00          Cl  
HETATM   18  C   UNL     1       1.459  -0.188   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.174   0.225   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.174   1.050   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.459   1.462   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.745   1.050   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.888   1.462   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.603   1.050   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.317   1.462   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.317   2.287   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.603   2.700   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       2.888   2.287   0.000  1.00  0.00           N  
HETATM   29 CL   UNL     1       3.603   0.225   0.000  1.00  0.00          Cl  
HETATM   30  C   UNL     1      -3.603   1.757   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.317   1.345   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.015   2.472   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.888   2.170   0.000  1.00  0.00           C  
CONECT    1    2    7   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4   18   22                                            
CONECT    6    4                                                      
CONECT    7    1    8                                                 
CONECT    8    7    9   30                                            
CONECT    9    8   10                                                 
CONECT   10    9    1   11                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   11                                                 
CONECT   17   15                                                      
CONECT   18    5   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21    5                                                 
CONECT   23   20   24   28                                            
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   24                                                      
CONECT   30    8   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0G4EK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNK     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNK     1      -1.786  -0.206   0.000  1.00  0.00           C  
HETATM    3  S   UNK     1      -0.357  -0.206   0.000  1.00  0.00           S  
HETATM    4  C   UNK     1       0.357   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNK     1       1.072  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNK     1       1.786   0.206   0.000  1.00  0.00           C  
HETATM    7  O   UNK     1       1.786   1.031   0.000  1.00  0.00           O  
HETATM    8  O   UNK     1       2.501  -0.206   0.000  1.00  0.00           O  
HETATM    9  O   UNK     1      -1.786  -1.031   0.000  1.00  0.00           O  
HETATM   10  O   UNK     1      -2.501   0.206   0.000  1.00  0.00           O  
HETATM   11  N   UNK     1       1.072  -1.031   0.000  1.00  0.00           N  
CONECT    1    2    3                                                 
CONECT    2    1    9   10                                            
CONECT    3    1    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   11                                            
CONECT    6    5    7    8                                            
CONECT    7    6                                                      
CONECT    8    6                                                      
CONECT    9    2                                                      
CONECT   10    2                                                      
CONECT   11    5                                                      
MASTER        0    0    0    0    0    0    0    0   11    0   11    0
END
M  END

$$$$
D0G4GT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.286   0.824   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.286  -0.001   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.571  -0.413   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.857  -0.001   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.857   0.824   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.571   1.237   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.143   1.237   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.428   0.824   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.714   1.237   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.001   0.824   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.715   1.237   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.430   0.824   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.144   1.237   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.859   0.824   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.573   1.237   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.288   0.824   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       5.002   1.237   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -5.002  -0.824   0.000  1.00  0.00           N1+
HETATM   19  O   UNL     1      -5.002   0.001   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1      -4.288  -1.237   0.000  1.00  0.00           O1-
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16                                                      
CONECT   18    2   19   20                                            
CONECT   19   18                                                      
CONECT   20   18                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0G4IS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.357   0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.357  -0.206   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.357  -0.619   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.072  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.072   0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.357   1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.786   1.031   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       2.501   0.619   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1       1.786   1.856   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.072  -0.619   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.786  -0.206   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.501  -0.619   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.215  -0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.930  -0.619   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.930  -1.444   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.215  -1.856   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.501  -1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.215   1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.930   0.619   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   18                                                 
CONECT    9    7                                                      
CONECT   10    2   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    8   19                                                 
CONECT   19   18                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D0G4LV
  -OEChem-09301911212D

 79 83  0     1  0  0  0  0  0999 V2000
    2.8660    3.8170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.6830    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.3241   -1.6830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    4.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    2.9510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7404   -2.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1962   -3.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -3.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0296    0.2785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.3170    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    2.3170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.6830    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000    1.3170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3833    0.8165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3170    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    3.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7404   -0.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3241   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3241   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0511    0.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8241   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8241   -2.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8241   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8241   -2.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3241   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6939    1.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.6270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    4.2919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    4.2919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    1.3420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    1.3420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    3.2093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    3.8996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.8539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    4.6270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    3.7800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.6270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.0630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    0.6270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -1.7081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -1.7081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -0.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5762   -4.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -5.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8162   -4.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -2.1461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -3.2200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5141   -0.2801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5141   -3.0860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7766    0.6887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1341   -0.2801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1341   -3.0860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2833    1.5744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8865    2.3564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1046    1.9597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1 11  1  0  0  0  0
  1 22  1  0  0  0  0
  2  8  2  0  0  0  0
  2  9  2  0  0  0  0
  2 13  1  0  0  0  0
  2 39  1  0  0  0  0
  3 46  1  0  0  0  0
  6 20  2  0  0  0  0
  7 30  1  0  0  0  0
  7 36  1  0  0  0  0
 10 41  2  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 25  1  0  0  0  0
 13 35  1  0  0  0  0
 14 23  3  0  0  0  0
 15 41  1  0  0  0  0
 15 47  1  0  0  0  0
 15 74  1  0  0  0  0
 16 18  1  0  0  0  0
 16 23  1  0  0  0  0
 16 48  1  0  0  0  0
 17 19  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 19 53  1  0  0  0  0
 19 54  1  0  0  0  0
 20 21  1  0  0  0  0
 21 27  1  0  0  0  0
 21 32  2  0  0  0  0
 22 55  1  0  0  0  0
 22 56  1  0  0  0  0
 22 57  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 29  1  0  0  0  0
 25 31  1  0  0  0  0
 26 27  2  0  0  0  0
 26 34  1  0  0  0  0
 27 58  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 28 33  1  0  0  0  0
 29 59  1  0  0  0  0
 30 31  2  0  0  0  0
 31 60  1  0  0  0  0
 32 37  1  0  0  0  0
 32 61  1  0  0  0  0
 33 36  2  0  0  0  0
 33 41  1  0  0  0  0
 34 37  2  0  0  0  0
 34 62  1  0  0  0  0
 35 40  1  0  0  0  0
 35 63  1  0  0  0  0
 35 64  1  0  0  0  0
 36 38  1  0  0  0  0
 37 65  1  0  0  0  0
 38 42  2  0  0  0  0
 38 43  1  0  0  0  0
 39 66  1  0  0  0  0
 39 67  1  0  0  0  0
 39 68  1  0  0  0  0
 40 69  1  0  0  0  0
 40 70  1  0  0  0  0
 40 71  1  0  0  0  0
 42 44  1  0  0  0  0
 42 72  1  0  0  0  0
 43 45  2  0  0  0  0
 43 73  1  0  0  0  0
 44 46  2  0  0  0  0
 44 75  1  0  0  0  0
 45 46  1  0  0  0  0
 45 76  1  0  0  0  0
 47 77  1  0  0  0  0
 47 78  1  0  0  0  0
 47 79  1  0  0  0  0
M  END

$$$$
D0G4YI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.784  -1.972   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.371  -2.686   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.546  -2.686   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.134  -1.972   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.546  -1.257   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.371  -1.257   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.134  -0.543   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.546   0.171   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -5.371   0.171   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1      -4.134   0.886   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.309   0.886   0.000  1.00  0.00           C  
HETATM   12  S   UNL     1      -2.594   0.473   0.000  1.00  0.00           S  
HETATM   13  C   UNL     1      -1.981   1.025   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.317   1.779   0.000  1.00  0.00           N  
HETATM   15  N   UNL     1      -3.137   1.693   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.184   0.812   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.470   1.224   0.000  1.00  0.00           C  
HETATM   18  S   UNL     1       0.327   1.011   0.000  1.00  0.00           S  
HETATM   19  C   UNL     1       1.042   1.423   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.838   1.210   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.422   1.793   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1       3.136   1.381   0.000  1.00  0.00           S  
HETATM   23  C   UNL     1       3.749   1.933   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       3.414   2.686   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1       2.593   2.600   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1       4.546   1.719   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       4.546   0.894   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       5.343   0.681   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       4.134   0.180   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.546  -0.535   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.134  -1.249   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.546  -1.964   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       5.371  -1.964   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       5.784  -1.249   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       5.371  -0.535   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27                                                      
CONECT   29   27   30                                                 
CONECT   30   29   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0G4ZU
  -OEChem-09301911142D

 52 53  0     1  0  0  0  0  0999 V2000
    4.8398   -0.4923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3854   -3.8704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5148    1.5955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6166   -6.4019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1825   -6.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976   -4.6794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6002   -6.7155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7828    1.5955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7867   -4.8884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3808    6.0955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6488    6.0955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9677   -3.1659    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5610   -2.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3800   -3.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9623   -3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1488   -1.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1989   -5.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7812   -4.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1488   -1.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6488    0.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4578   -0.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2044   -5.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1880   -5.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6488    1.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5148    2.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3808    3.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6488    3.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5148    4.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3808    4.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6488    4.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5148    5.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2199   -3.7323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1303   -1.8063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0470   -2.5990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8975   -3.8870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5789   -3.3352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0271   -2.6538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0280   -6.2934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7562   -5.9692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3828   -4.8430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7380   -4.3745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5132   -1.9449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0475   -0.3007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.3371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4346   -6.5774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9178    2.7855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1119    2.7855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9178    4.4055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1119    4.4055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3808    6.7155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9178    5.7855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6488    6.7155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 20  1  0  0  0  0
  2 14  2  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 22  1  0  0  0  0
  4 44  1  0  0  0  0
  5 23  1  0  0  0  0
  5 45  1  0  0  0  0
  6 22  2  0  0  0  0
  7 23  2  0  0  0  0
  8 24  2  0  0  0  0
  9 14  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 31  1  0  0  0  0
 10 50  1  0  0  0  0
 10 51  1  0  0  0  0
 11 31  2  0  0  0  0
 11 52  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 32  1  0  0  0  0
 13 16  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 19  2  0  0  0  0
 17 22  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 23  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 21  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  2  0  0  0  0
 20 24  1  0  0  0  0
 21 43  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 29  1  0  0  0  0
 26 46  1  0  0  0  0
 27 30  2  0  0  0  0
 27 47  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 29 48  1  0  0  0  0
 30 49  1  0  0  0  0
M  END

$$$$
D0G5CV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.429  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.715  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.000   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.715   0.412   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.715   1.238   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.715   0.412   0.000  1.00  0.00           C  
HETATM    9  F   UNL     1       0.715  -1.238   0.000  1.00  0.00           F  
HETATM   10  O   UNL     1      -2.143  -1.238   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.429   0.000   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.715   1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.143   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.143   1.238   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    5   11   12                                            
CONECT    9    4                                                      
CONECT   10    2                                                      
CONECT   11    8   13                                                 
CONECT   12    8                                                      
CONECT   13   11   14                                                 
CONECT   14   13                                                      
MASTER        0    0    0    0    0    0    0    0   14    0   14    0
END
M  END

$$$$
D0G5EI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.167  -1.033   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.167  -1.858   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.452  -2.270   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.738  -1.858   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.738  -1.033   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.452  -0.620   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.881  -0.620   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.596  -1.033   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.596  -1.858   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.881  -2.270   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.452   0.205   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.738   0.617   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.024   0.205   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.691   0.617   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.691   1.442   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.024   1.855   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.738   1.442   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.476   0.362   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.961   1.030   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.476   1.697   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.731   2.482   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.538   2.654   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.179   3.095   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       3.121   2.070   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.310  -0.620   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1      -4.310  -2.270   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.310   0.205   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.310  -3.095   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       2.992   1.255   0.000  1.00  0.00           N  
HETATM   30  N   UNL     1       3.727   0.881   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       4.310   1.464   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.936   2.199   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.257   0.881   0.000  1.00  0.00           C  
HETATM   34 BR   UNL     1       4.310   2.934   0.000  1.00  0.00          Br  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   11                                            
CONECT    7    1    8                                                 
CONECT    8    7    9   25                                            
CONECT    9    8   10   26                                            
CONECT   10    9    2                                                 
CONECT   11    6   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   14   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20   22   23                                            
CONECT   22   21   24                                                 
CONECT   23   21                                                      
CONECT   24   22   29   32                                            
CONECT   25    8   27                                                 
CONECT   26    9   28                                                 
CONECT   27   25                                                      
CONECT   28   26                                                      
CONECT   29   24   30   33                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   24   34                                            
CONECT   33   29                                                      
CONECT   34   32                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0G5UR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.296   2.062   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.296   1.238   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.010   0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.725   1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.725   2.062   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.010   2.475   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.419   2.475   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.133   2.062   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.133   1.238   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.419   0.825   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.848   0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.010   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.296  -0.412   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.296  -1.238   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.010  -1.650   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.725  -1.238   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.725  -0.412   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.010  -2.475   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.848   2.475   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1       2.439   2.475   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       3.154   2.062   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.602   1.161   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.154   0.547   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.741  -0.167   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.934   0.004   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.419  -1.650   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       2.509  -1.492   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       2.994  -0.825   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.509  -0.158   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4   12                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   20                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9   19                                            
CONECT    9    8   10   11                                            
CONECT   10    9    2                                                 
CONECT   11    9   22   25                                            
CONECT   12    3   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   26                                            
CONECT   15   14   16   18                                            
CONECT   16   15   17   27                                            
CONECT   17   16   12   29                                            
CONECT   18   15                                                      
CONECT   19    8                                                      
CONECT   20    5   21                                                 
CONECT   21   20                                                      
CONECT   22   11   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   11                                                 
CONECT   26   14                                                      
CONECT   27   16   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   17                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0G6DW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.274  -0.973   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.274  -1.795   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.561  -2.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.150  -1.795   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.150  -0.973   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.561  -0.561   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -1.986  -0.561   0.000  1.00  0.00          Cl  
HETATM    8 CL   UNL     1      -1.986  -2.206   0.000  1.00  0.00          Cl  
HETATM    9  C   UNL     1       0.863  -0.561   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       1.574  -0.973   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.863   0.261   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.274   0.973   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.451   0.973   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.986   1.384   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.261   1.384   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.261   2.206   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1      -0.973   0.973   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    2                                                      
CONECT    9    5   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   12   13                                            
CONECT   12   11   13   14                                            
CONECT   13   12   11   15                                            
CONECT   14   12                                                      
CONECT   15   13   16   17                                            
CONECT   16   15                                                      
CONECT   17   15                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D0G6IQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.673  -0.549   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.673  -1.374   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.958  -1.786   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.244  -1.374   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.244  -0.549   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.958  -0.136   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.460  -1.629   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.975  -0.961   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.460  -0.294   0.000  1.00  0.00           N  
HETATM   10  H   UNL     1      -4.388  -1.786   0.000  1.00  0.00           H  
HETATM   11 BR   UNL     1      -2.958  -2.611   0.000  1.00  0.00          Br  
HETATM   12  C   UNL     1      -0.149  -0.961   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.263  -1.676   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.088  -1.676   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.500  -0.961   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.088  -0.247   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.263  -0.247   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.500   0.468   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.088   1.182   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.263   1.182   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.149   0.468   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       1.500   1.897   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.088   2.611   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       2.325   0.468   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.738  -0.247   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.563  -0.247   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.975   0.468   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.563   1.182   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       2.738   1.182   0.000  1.00  0.00           N  
HETATM   30  O   UNL     1       4.801   0.468   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       5.213   1.182   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1      -4.388   1.101   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.388   0.276   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1      -3.563   0.276   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -4.388  -0.549   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1      -5.213   0.276   0.000  1.00  0.00           F  
CONECT    1    2    6   32                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4   11                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8    5                                                 
CONECT   10    2                                                      
CONECT   11    3                                                      
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   12   21                                            
CONECT   18   16   19   24                                            
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   17                                                 
CONECT   22   19   23                                                 
CONECT   23   22                                                      
CONECT   24   18   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27   31                                                 
CONECT   31   30                                                      
CONECT   32    1   33                                                 
CONECT   33   32   34   35   36                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END

$$$$

$$$$

$$$$
D0G6QW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.365  -0.382   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.365  -1.207   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.651  -1.619   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.937  -1.207   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.937  -0.382   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.651   0.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.222   0.031   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.468  -0.305   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.084   0.308   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.329   1.023   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.136   0.851   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.007   1.777   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.478   2.444   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1       0.827   1.863   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.904   0.222   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.240  -0.531   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.060  -0.618   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.545   0.050   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.209   0.803   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.389   0.890   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1       0.755  -1.199   0.000  1.00  0.00          Cl  
HETATM   22 CL   UNL     1       3.365  -0.036   0.000  1.00  0.00          Cl  
HETATM   23  N   UNL     1      -2.651  -2.444   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   23                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   15                                            
CONECT   10    9   11   12                                            
CONECT   11   10    7                                                 
CONECT   12   10   13   14                                            
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15    9   16   20                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   16                                                      
CONECT   22   18                                                      
CONECT   23    3                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END

$$$$

$$$$

$$$$
D0G7HK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.002   1.038   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.002   0.213   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.288  -0.200   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.573   0.213   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.573   1.038   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.288   1.450   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.928  -0.302   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.124  -0.118   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.234   0.625   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.124   1.369   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.928   1.552   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.299   2.077   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.243   2.698   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.002   2.374   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       1.059   0.625   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.472   1.340   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.059   2.054   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       0.391  -0.763   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -2.288  -1.025   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1       0.089  -1.531   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.604  -2.176   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.419  -2.053   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.721  -1.285   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.206  -0.640   0.000  1.00  0.00           C  
HETATM   25  H   UNL     1       1.933  -2.698   0.000  1.00  0.00           H  
HETATM   26  N   UNL     1       2.293   1.343   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       3.002   2.571   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.002   0.115   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   19                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   18                                            
CONECT    9    8   10   15                                            
CONECT   10    9   11   12                                            
CONECT   11   10    5   14                                            
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   11                                                 
CONECT   15    9   16                                                 
CONECT   16   15   17   26                                            
CONECT   17   16                                                      
CONECT   18    8   20   24                                            
CONECT   19    3                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
CONECT   25   22                                                      
CONECT   26   27   28   16                                            
CONECT   27   26                                                      
CONECT   28   26                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0G7KY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.570  -0.995   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.570  -1.820   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.856  -2.233   0.000  1.00  0.00           N  
HETATM    4  N   UNL     1      -0.141  -1.820   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.141  -0.995   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.856  -0.583   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.285  -2.233   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.999  -1.820   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.714  -2.233   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.714  -3.058   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.999  -3.470   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.285  -3.058   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.643  -2.075   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.128  -1.408   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.643  -0.740   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.856   0.242   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.953  -1.408   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.366  -0.693   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       2.366  -2.122   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       3.191  -0.693   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.603   0.021   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.191   0.736   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.366   0.736   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.953   0.021   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1      -4.428  -3.470   0.000  1.00  0.00           F  
HETATM   26  C   UNL     1      -0.141   0.655   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.570   0.655   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.856   1.067   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.239   0.434   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.239  -0.391   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.603   1.450   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.191   2.165   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       4.428   1.450   0.000  1.00  0.00           O  
HETATM   34  N   UNL     1       3.526   2.918   0.000  1.00  0.00           N  
HETATM   35  N   UNL     1       2.913   3.470   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1       2.199   3.058   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       2.370   2.251   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    6   15                                            
CONECT    6    5    1   16                                            
CONECT    7    2    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   25                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    4   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14    5                                                 
CONECT   16    6   26   27   28                                       
CONECT   17   14   18   19                                            
CONECT   18   17   20   24                                            
CONECT   19   17                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   31                                            
CONECT   23   22   24                                                 
CONECT   24   23   18   29   30                                       
CONECT   25   10                                                      
CONECT   26   16                                                      
CONECT   27   16                                                      
CONECT   28   16                                                      
CONECT   29   24                                                      
CONECT   30   24                                                      
CONECT   31   22   32   33                                            
CONECT   32   31   34   37                                            
CONECT   33   31                                                      
CONECT   34   32   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   32                                                 
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0G7XW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.725   0.302   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.725  -0.523   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.010  -0.936   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.296  -0.523   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.296   0.302   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.010   0.714   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.439  -0.936   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.419   0.714   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.133   0.302   0.000  1.00  0.00           C  
HETATM   10  S   UNL     1       1.220  -0.519   0.000  1.00  0.00           S  
HETATM   11  C   UNL     1       2.026  -0.690   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.439   0.024   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.887   0.637   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       2.058   1.444   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1       2.362  -1.444   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       0.419  -0.936   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12    9   14                                            
CONECT   14   13                                                      
CONECT   15   11                                                      
CONECT   16    4                                                      
MASTER        0    0    0    0    0    0    0    0   16    0   16    0
END
M  END

$$$$
D0G8CF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.054   0.454   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.054  -0.371   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.340  -0.784   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.625  -0.371   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.625   0.454   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.340   0.866   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.841  -0.626   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.356   0.041   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.841   0.709   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -3.769   0.866   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.469   0.041   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.882  -0.673   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.707  -0.673   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.119   0.041   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.707   0.756   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.882   0.756   0.000  1.00  0.00           C  
HETATM   17  H   UNL     1       2.119   1.470   0.000  1.00  0.00           H  
HETATM   18  H   UNL     1       1.920  -1.470   0.000  1.00  0.00           H  
HETATM   19  C   UNL     1       2.944   0.043   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.944   0.868   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.769   0.043   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.944  -0.782   0.000  1.00  0.00           C  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8    5                                                 
CONECT   10    1                                                      
CONECT   11    8   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15   19                                            
CONECT   15   14   16   17                                            
CONECT   16   15   11                                                 
CONECT   17   15                                                      
CONECT   18   13                                                      
CONECT   19   14   20   21   22                                       
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   19                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0G8IM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.090   1.107   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.090   0.282   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.375  -0.130   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.339   0.282   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.339   1.107   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.375   1.520   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.874   1.362   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.359   0.695   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.874   0.027   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.054   1.520   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.807   1.184   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.359   1.797   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1       1.947   2.512   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.140   2.340   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.979   0.377   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.527   2.892   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.375  -0.955   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.043  -1.440   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.788  -2.225   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1       0.037  -2.225   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.292  -1.440   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.077  -1.185   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.827  -1.185   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.273  -2.892   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   17                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    5   11   14                                            
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10   16                                            
CONECT   15   11                                                      
CONECT   16   14                                                      
CONECT   17    3   18   21                                            
CONECT   18   17   19   23                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   17   22                                            
CONECT   22   21                                                      
CONECT   23   18                                                      
CONECT   24   19                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0G8LH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.187  -0.185   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.187  -1.010   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.472  -1.423   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.242  -1.010   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.242  -0.185   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.472   0.227   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.901   0.227   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.901  -1.423   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.901   1.052   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.616   1.465   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.330   1.052   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.330   0.227   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.616  -0.185   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.616  -1.010   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.330  -1.423   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.330  -2.248   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.616  -2.660   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.901  -2.248   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -4.045   1.465   0.000  1.00  0.00          Cl  
HETATM   20 CL   UNL     1      -1.187  -2.660   0.000  1.00  0.00          Cl  
HETATM   21  C   UNL     1       0.855   0.367   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.520   1.121   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.301   1.034   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.662   0.195   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       2.214   0.808   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1       1.917  -0.589   0.000  1.00  0.00           N  
HETATM   27  N   UNL     1       2.714  -0.803   0.000  1.00  0.00           N  
HETATM   28  S   UNL     1       0.932   1.835   0.000  1.00  0.00           S  
HETATM   29  O   UNL     1       0.218   2.248   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       0.932   2.660   0.000  1.00  0.00           O  
HETATM   31  N   UNL     1       1.757   1.835   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       3.030  -1.565   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.853  -1.499   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.045  -0.697   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.341  -0.266   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   21                                            
CONECT    6    5    1   23                                            
CONECT    7    9   13    1                                            
CONECT    8    2   14   18                                            
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   19                                            
CONECT   12   11   13                                                 
CONECT   13   12    7                                                 
CONECT   14    8   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17    8   20                                            
CONECT   19   11                                                      
CONECT   20   18                                                      
CONECT   21    5   22   24                                            
CONECT   22   21   23   28                                            
CONECT   23   22    6                                                 
CONECT   24   21   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27                                                 
CONECT   27   32   35   26                                            
CONECT   28   22   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
CONECT   32   27   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   27                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0G8QR
  -OEChem-09301911192D

 42 45  0     0  0  0  0  0  0999 V2000
    2.0000    0.3193    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7870    3.9261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4978    2.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.4854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.6807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    1.0746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4798    0.7427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -2.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2686   -3.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8066   -2.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8578   -4.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8083   -3.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    1.2808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    2.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5013    0.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226    2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4763    2.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7905    1.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2926   -1.9968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8071   -2.8319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8085   -3.6616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4233   -2.8071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9344   -2.1366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3214   -4.3649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1109   -4.6199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9382   -4.3495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4248   -3.6774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4409    1.5360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.4907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3087   -0.0528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3152    3.0268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3972    1.8211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3936    4.0540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 24  1  0  0  0  0
  2 42  1  0  0  0  0
  3 24  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 13  1  0  0  0  0
  5 15  2  0  0  0  0
  6 15  1  0  0  0  0
  6 20  1  0  0  0  0
  6 37  1  0  0  0  0
  7 22  2  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 12  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 35  1  0  0  0  0
 17 19  2  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 38  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 39  1  0  0  0  0
 23 25  2  0  0  0  0
 23 40  1  0  0  0  0
 25 41  1  0  0  0  0
M  END

$$$$
D0G8SB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072   0.825   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.072   1.650   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.786   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.357   0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.215   0.412   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.930   0.825   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1      -3.215  -0.412   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.357  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.357  -0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.072  -0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.072   0.412   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.357   0.825   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       0.357  -1.650   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.357  -2.062   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       1.072  -2.062   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.786  -1.650   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.501  -2.062   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.215  -1.650   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.930  -2.062   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4   11   15                                            
CONECT    8    2    9   10                                            
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11    7   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    7                                                 
CONECT   16   12   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0G8VB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143   0.103   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -0.722   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.428  -1.134   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.714  -0.722   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.714   0.103   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.428   0.516   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.001  -1.134   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.715  -0.722   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.715   0.103   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.001   0.516   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.429   0.516   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.144   0.103   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       2.858   0.516   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1       2.144  -0.722   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       2.501   0.722   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.786   1.134   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.858  -0.722   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.144  -1.134   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   17                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12   16                                            
CONECT   12   11   13   14                                            
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15   16                                                      
CONECT   16   11   15                                                 
CONECT   17    2   18                                                 
CONECT   18   17                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D0G9CR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.075  -2.865   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.361  -2.452   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.646  -2.865   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.068  -2.452   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.783  -2.865   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       1.497  -2.452   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.212  -2.865   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       0.068  -1.627   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1       2.212  -3.690   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.646  -3.690   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.979  -2.563   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       3.223  -1.775   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.758  -1.093   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.935  -1.032   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.374  -1.637   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.045  -1.714   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.403  -0.970   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.939  -0.288   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.116  -0.350   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.634  -0.264   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       2.148   0.381   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       4.381  -3.338   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.595  -4.135   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       5.391  -4.349   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.975  -3.765   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       5.761  -2.968   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.965  -2.755   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.011  -4.718   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.225  -5.515   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.022  -5.729   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.605  -5.145   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       4.751  -1.958   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       5.334  -1.375   0.000  1.00  0.00           C  
HETATM   34 BR   UNL     1       5.235  -6.526   0.000  1.00  0.00          Br  
HETATM   35  C   UNL     1       2.075   2.865   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1       1.361   2.452   0.000  1.00  0.00           N  
HETATM   37  C   UNL     1       0.646   2.865   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.068   2.452   0.000  1.00  0.00           C  
HETATM   39  N   UNL     1      -0.783   2.865   0.000  1.00  0.00           N  
HETATM   40  C   UNL     1      -1.497   2.452   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.212   2.865   0.000  1.00  0.00           C  
HETATM   42  O   UNL     1      -0.068   1.627   0.000  1.00  0.00           O  
HETATM   43  O   UNL     1      -2.212   3.690   0.000  1.00  0.00           O  
HETATM   44  C   UNL     1       0.646   3.690   0.000  1.00  0.00           C  
HETATM   45  N   UNL     1      -2.979   2.563   0.000  1.00  0.00           N  
HETATM   46  C   UNL     1      -3.223   1.775   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1      -2.758   1.093   0.000  1.00  0.00           C  
HETATM   48  N   UNL     1      -1.935   1.032   0.000  1.00  0.00           N  
HETATM   49  C   UNL     1      -1.374   1.637   0.000  1.00  0.00           C  
HETATM   50  C   UNL     1      -4.045   1.714   0.000  1.00  0.00           C  
HETATM   51  C   UNL     1      -4.403   0.970   0.000  1.00  0.00           C  
HETATM   52  C   UNL     1      -3.939   0.288   0.000  1.00  0.00           C  
HETATM   53  C   UNL     1      -3.116   0.350   0.000  1.00  0.00           C  
HETATM   54  C   UNL     1      -1.634   0.264   0.000  1.00  0.00           C  
HETATM   55  O   UNL     1      -2.148  -0.381   0.000  1.00  0.00           O  
HETATM   56  C   UNL     1      -0.818   0.141   0.000  1.00  0.00           C  
HETATM   57  C   UNL     1      -4.381   3.338   0.000  1.00  0.00           C  
HETATM   58  C   UNL     1      -4.595   4.135   0.000  1.00  0.00           C  
HETATM   59  C   UNL     1      -5.391   4.349   0.000  1.00  0.00           C  
HETATM   60  C   UNL     1      -5.975   3.765   0.000  1.00  0.00           C  
HETATM   61  C   UNL     1      -5.761   2.968   0.000  1.00  0.00           C  
HETATM   62  C   UNL     1      -4.965   2.755   0.000  1.00  0.00           C  
HETATM   63  C   UNL     1      -4.011   4.718   0.000  1.00  0.00           C  
HETATM   64  C   UNL     1      -4.225   5.515   0.000  1.00  0.00           C  
HETATM   65  C   UNL     1      -5.022   5.729   0.000  1.00  0.00           C  
HETATM   66  C   UNL     1      -5.605   5.145   0.000  1.00  0.00           C  
HETATM   67  O   UNL     1      -4.751   1.958   0.000  1.00  0.00           O  
HETATM   68  C   UNL     1      -5.334   1.375   0.000  1.00  0.00           C  
HETATM   69 BR   UNL     1      -5.235   6.526   0.000  1.00  0.00          Br  
HETATM   70  C   UNL     1      -0.517  -0.627   0.000  1.00  0.00           C  
HETATM   71  C   UNL     1       0.299  -0.750   0.000  1.00  0.00           C  
HETATM   72  C   UNL     1       0.814  -0.105   0.000  1.00  0.00           C  
HETATM   73  C   UNL     1       0.512   0.663   0.000  1.00  0.00           C  
HETATM   74  C   UNL     1      -0.304   0.786   0.000  1.00  0.00           C  
HETATM   75  C   UNL     1      -3.556   3.338   0.000  1.00  0.00           C  
HETATM   76  C   UNL     1       3.563  -3.147   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4   10                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7   15                                            
CONECT    7    6    9   11                                            
CONECT    8    4                                                      
CONECT    9    7                                                      
CONECT   10    3                                                      
CONECT   11    7   12   76                                            
CONECT   12   11   13   16                                            
CONECT   13   12   14   19                                            
CONECT   14   13   15   20                                            
CONECT   15   14    6                                                 
CONECT   16   12   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   13                                                 
CONECT   20   14   21   72                                            
CONECT   21   20                                                      
CONECT   22   23   27   76                                            
CONECT   23   22   24   28                                            
CONECT   24   23   25   31                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22   32                                            
CONECT   28   23   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   34                                            
CONECT   31   30   24                                                 
CONECT   32   27   33                                                 
CONECT   33   32                                                      
CONECT   34   30                                                      
CONECT   35   36                                                      
CONECT   36   35   37                                                 
CONECT   37   36   38   44                                            
CONECT   38   37   39   42                                            
CONECT   39   38   40                                                 
CONECT   40   39   41   49                                            
CONECT   41   40   43   45                                            
CONECT   42   38                                                      
CONECT   43   41                                                      
CONECT   44   37                                                      
CONECT   45   41   46   75                                            
CONECT   46   45   47   50                                            
CONECT   47   46   48   53                                            
CONECT   48   47   49   54                                            
CONECT   49   48   40                                                 
CONECT   50   46   51                                                 
CONECT   51   50   52                                                 
CONECT   52   51   53                                                 
CONECT   53   52   47                                                 
CONECT   54   48   55   56                                            
CONECT   55   54                                                      
CONECT   56   54   70   74                                            
CONECT   57   58   62   75                                            
CONECT   58   57   59   63                                            
CONECT   59   58   60   66                                            
CONECT   60   59   61                                                 
CONECT   61   60   62                                                 
CONECT   62   61   57   67                                            
CONECT   63   58   64                                                 
CONECT   64   63   65                                                 
CONECT   65   64   66   69                                            
CONECT   66   65   59                                                 
CONECT   67   62   68                                                 
CONECT   68   67                                                      
CONECT   69   65                                                      
CONECT   70   56   71                                                 
CONECT   71   70   72                                                 
CONECT   72   71   73   20                                            
CONECT   73   72   74                                                 
CONECT   74   73   56                                                 
CONECT   75   57   45                                                 
CONECT   76   11   22                                                 
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
M  END

$$$$
D0G9HY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.562   1.567   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.348   0.770   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.551   0.557   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.968   1.140   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.181   1.937   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.978   2.151   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.177  -0.178   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.362  -0.049   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.233   0.766   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.498   1.140   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.806   0.691   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.071   1.065   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.849  -0.133   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -1.379   0.616   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1      -2.028   1.889   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.644   0.991   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.048   0.541   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.783   0.916   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.475   0.467   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.210   0.841   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.902   0.392   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.637   0.766   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       4.329   0.317   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.265  -0.506   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.946  -0.972   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       5.690  -0.616   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       5.754   0.207   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.073   0.673   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.521  -0.862   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.458  -1.684   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.138  -2.151   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.882  -1.794   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       6.498   0.563   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       6.562   1.385   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       5.881   1.852   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       5.137   1.496   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    4   10                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11   14   15                                            
CONECT   13   11                                                      
CONECT   14   12   16                                                 
CONECT   15   12                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25   29                                            
CONECT   25   24   26   32                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   33                                            
CONECT   28   27   23   36                                            
CONECT   29   24   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   25                                                 
CONECT   33   27   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   28                                                 
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0G9MM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.426  -0.922   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.426  -1.747   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       2.141  -2.159   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       2.855  -1.747   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       2.855  -0.922   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       2.141  -0.509   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.642  -0.667   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.157  -1.334   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.642  -2.001   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1       2.141   0.316   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       2.855   0.728   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.426   0.728   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.426   1.553   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.712   1.966   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.003   1.553   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.003   0.728   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.712   0.316   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.141   1.966   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.717   0.316   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.717  -0.509   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.432   0.728   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.855   0.935   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.272   0.351   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.666   1.541   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.481   1.670   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.120   2.159   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   10                                            
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    6   11   12                                            
CONECT   11   10                                                      
CONECT   12   13   17   10                                            
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   12                                                 
CONECT   18   13                                                      
CONECT   19   16   20   21                                            
CONECT   20   19                                                      
CONECT   21   19   23   24                                            
CONECT   22   23   25                                                 
CONECT   23   22   21                                                 
CONECT   24   21   25   26                                            
CONECT   25   24   22                                                 
CONECT   26   24                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0G9OT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.847   0.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.847   0.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.062  -0.224   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.577   0.444   0.000  1.00  0.00           C  
HETATM    5  S   UNL     1      -1.062   1.111   0.000  1.00  0.00           S  
HETATM    6  C   UNL     1      -2.514   1.341   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.248   0.444   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.660  -0.271   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.245  -0.983   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -0.580  -0.983   0.000  1.00  0.00           N1+
HETATM   11  N   UNL     1      -1.405  -0.983   0.000  1.00  0.00           N1-
HETATM   12  C   UNL     1       0.864  -0.627   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       0.039  -0.627   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1       1.276  -1.341   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       2.514  -0.627   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.102  -1.341   0.000  1.00  0.00           C  
CONECT    1    2    5    6                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    1                                                 
CONECT    6    1                                                      
CONECT    7    4    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10                                                      
CONECT   12    8   13   14                                            
CONECT   13   12                                                      
CONECT   14   12   16                                                 
CONECT   15   16                                                      
CONECT   16   14   15                                                 
MASTER        0    0    0    0    0    0    0    0   16    0   16    0
END
M  END

$$$$
D0GA6X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.423   0.722   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.598   0.722   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.186   1.436   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.598   2.151   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.423   2.151   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.836   1.436   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.361   1.436   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.948   0.722   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.123   0.722   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.289   0.007   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.114   0.007   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.527   0.722   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.114   1.436   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.289   1.436   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       2.352   0.722   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.764   0.007   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.589   0.007   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       4.002   0.722   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.589   1.436   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.764   1.436   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.898  -0.722   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.486  -1.437   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.311  -1.437   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       4.771   0.928   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       5.486   0.515   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.311  -2.151   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       3.486  -2.151   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1       4.723  -1.436   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1      -3.836   0.008   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -4.661   0.008   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -4.661  -0.817   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -5.486   0.008   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -4.661   0.833   0.000  1.00  0.00           F  
CONECT    1    2    6   29                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19   24                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   17   22   23                                            
CONECT   22   21   23   26                                            
CONECT   23   22   21                                                 
CONECT   24   18   25                                                 
CONECT   25   24                                                      
CONECT   26   22   27   28                                            
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29    1   30                                                 
CONECT   30   29   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0GA7D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.320   1.552   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.320   0.727   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.606   0.315   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.892   0.727   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.892   1.552   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.606   1.965   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.177   1.965   0.000  1.00  0.00           O  
HETATM    8 CL   UNL     1      -5.035   0.315   0.000  1.00  0.00          Cl  
HETATM    9  C   UNL     1      -2.177   0.315   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.091  -0.506   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.284  -0.677   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.871   0.037   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1      -1.423   0.650   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.704  -1.058   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.051   0.124   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.285   0.877   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       0.434  -0.544   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.098  -1.297   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.583  -1.965   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.404  -1.879   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.739  -1.125   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.255  -0.458   0.000  1.00  0.00           C  
HETATM   23  S   UNL     1       2.560  -1.039   0.000  1.00  0.00           S  
HETATM   24  N   UNL     1       3.385  -1.039   0.000  1.00  0.00           N  
HETATM   25  O   UNL     1       2.560  -0.214   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1       2.560  -1.864   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       3.797  -1.753   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.622  -1.753   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       5.035  -1.039   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       4.622  -0.324   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.797  -0.324   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    2                                                      
CONECT    9    4   10   13                                            
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12    9                                                 
CONECT   14   10                                                      
CONECT   15   12   16   17                                            
CONECT   16   15                                                      
CONECT   17   15   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   17                                                 
CONECT   23   21   24   25   26                                       
CONECT   24   23   27   31                                            
CONECT   25   23                                                      
CONECT   26   23                                                      
CONECT   27   24   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   24                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0GA8C
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.204  -0.204   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.204  -1.026   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.492  -1.438   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.780  -1.026   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.780  -0.204   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.492   0.207   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.068   0.207   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.068   1.029   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.356   1.440   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.780   1.440   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1       0.356   1.029   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.068   1.440   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       0.767   2.205   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.055   2.205   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.780   1.029   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.780   0.207   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.492  -0.204   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       3.204   0.207   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       3.204   1.029   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.492   1.440   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.492  -1.026   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       1.767  -1.438   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.055  -1.026   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.343  -1.438   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.049  -2.205   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.773  -2.205   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.068  -1.438   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   27                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8   11   14                                            
CONECT   10    8                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   17   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26    4                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0GB7G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.836  -0.349   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.424  -1.063   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.599  -1.063   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.186  -0.349   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.599   0.366   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.424   0.366   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -2.836   1.080   0.000  1.00  0.00          Cl  
HETATM    8  N   UNL     1      -3.661  -0.349   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -1.186  -1.778   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.361  -1.778   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.074   0.366   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.738   1.120   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.351   1.672   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -5.066   1.259   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -4.894   0.452   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.265   2.492   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.124  -2.445   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.909  -2.190   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.909  -1.365   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.124  -1.110   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.693  -2.445   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.178  -1.778   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.693  -1.110   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.003  -1.778   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       3.416  -2.492   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       3.416  -1.063   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.241  -1.063   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       5.066  -1.063   0.000  1.00  0.00           N  
CONECT    1    2    6    8                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    1   11                                                 
CONECT    9    3   10                                                 
CONECT   10    9   17   20                                            
CONECT   11    8   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16   13                                                      
CONECT   17   10   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20   23                                            
CONECT   20   19   10                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   19                                                 
CONECT   24   22   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0GD6R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.408  -0.291   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.541  -1.105   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.987  -1.717   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.163  -1.665   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.309  -0.989   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.076  -0.198   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.689   0.113   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.740   0.936   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1      -2.084   0.182   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       0.687   0.356   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.473   0.104   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.084   0.658   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.910   1.464   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.125   1.717   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.513   1.163   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       1.922   1.449   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.125   1.661   0.000  1.00  0.00           C  
CONECT    1    2    7    9                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7   10                                            
CONECT    7    6    1    8                                            
CONECT    8    7                                                      
CONECT    9    1                                                      
CONECT   10    6   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17                                                 
CONECT   17   16                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D0GD7H
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.801  -1.254   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.801  -2.079   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.016  -2.333   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.469  -1.666   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.016  -0.999   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.515  -0.841   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.229  -1.254   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.229  -2.079   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.515  -2.491   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.294  -1.666   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.706  -2.381   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.531  -2.381   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.944  -1.666   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.531  -0.952   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.706  -0.952   0.000  1.00  0.00           C  
HETATM   16  H   UNL     1      -2.944  -2.491   0.000  1.00  0.00           H  
HETATM   17  C   UNL     1      -1.515  -0.016   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.801   0.397   0.000  1.00  0.00           O  
HETATM   19  N   UNL     1      -2.229   0.397   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.229   1.222   0.000  1.00  0.00           C  
HETATM   21  H   UNL     1       1.294  -0.237   0.000  1.00  0.00           H  
HETATM   22  H   UNL     1       2.944  -0.237   0.000  1.00  0.00           H  
HETATM   23  S   UNL     1      -1.562   1.706   0.000  1.00  0.00           S  
HETATM   24  C   UNL     1      -1.817   2.491   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.642   2.491   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.897   1.706   0.000  1.00  0.00           N  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    1                                                 
CONECT    6    1    7   17                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   16                                            
CONECT    9    8    2                                                 
CONECT   10    4   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   22                                            
CONECT   15   14   10   21                                            
CONECT   16    8                                                      
CONECT   17    6   18   19                                            
CONECT   18   17                                                      
CONECT   19   17   20                                                 
CONECT   20   19   23   26                                            
CONECT   21   15                                                      
CONECT   22   14                                                      
CONECT   23   20   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   20                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END

$$$$

$$$$

$$$$
D0GE4F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.182  -0.735   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.432  -1.079   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.127  -0.471   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.279   0.247   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.087   0.084   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.750   0.576   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.507   0.248   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.602  -0.571   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.939  -1.063   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.952  -0.480   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.371   0.230   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.966   0.949   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.141   0.958   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.357  -1.198   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.182  -1.207   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.602  -0.497   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       2.196   0.222   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.270   1.673   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.148   1.673   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1      -1.631  -1.260   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.916  -1.673   0.000  1.00  0.00           C  
CONECT    1    2    5    9                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   10                                            
CONECT    4    3    5   13                                            
CONECT    5    4    1    6                                            
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    1   20                                            
CONECT   10    3   11   14                                            
CONECT   11   10   12   17                                            
CONECT   12   11   13                                                 
CONECT   13   12    4   18                                            
CONECT   14   10   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   11                                                 
CONECT   18   19   13                                                 
CONECT   19   18                                                      
CONECT   20    9   21                                                 
CONECT   21   20                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0GE6F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.061   2.353   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.061   1.528   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.776   1.115   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.490   1.528   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.490   2.353   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.776   2.765   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       3.204   2.765   0.000  1.00  0.00           O  
HETATM    8  N   UNL     1       1.776   0.290   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.061  -0.122   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.061  -0.947   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.776  -1.360   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.490  -0.947   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.490  -0.122   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.061  -1.772   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.346  -1.360   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1       1.061  -2.597   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1       2.490  -1.772   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       3.204  -1.360   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.346   1.115   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.368   1.528   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.082   1.115   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.368   2.353   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.836   1.451   0.000  1.00  0.00           C  
HETATM   24  S   UNL     1      -2.388   0.838   0.000  1.00  0.00           S  
HETATM   25  C   UNL     1      -1.976   0.123   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.169   0.295   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.311  -0.631   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.118  -0.802   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.204  -1.623   0.000  1.00  0.00           N  
HETATM   30  N   UNL     1      -2.451  -1.958   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -1.899  -1.345   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.279  -2.765   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   19                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    3    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14   17                                       
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15   16                                            
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17   11   18                                                 
CONECT   18   17                                                      
CONECT   19    2   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   23   26                                            
CONECT   22   20                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   21                                                 
CONECT   27   25   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30   27                                                 
CONECT   32   30                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END

$$$$

$$$$

$$$$
D0GF3P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.716  -7.083   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.002  -6.670   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.287  -7.083   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.573  -6.670   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.858  -7.083   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.144  -6.670   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429  -7.083   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.715  -6.670   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -3.573  -5.845   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1      -1.429  -7.908   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.144  -5.845   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.429  -5.433   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.287  -7.908   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.039  -7.006   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.591  -6.393   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.178  -5.678   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.629  -5.850   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.252  -7.803   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.331  -8.386   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.118  -9.183   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.679  -9.397   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.263  -8.813   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.049  -8.016   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.059  -9.027   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.643  -8.443   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.273  -9.824   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       3.440  -8.657   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.023  -8.074   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.810  -7.277   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.013  -7.063   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.429  -7.646   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1       4.393  -6.693   0.000  1.00  0.00           F  
HETATM   33  C   UNL     1      -1.429  -4.608   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.715  -4.195   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1      -0.715  -3.370   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1      -0.001  -2.958   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.001  -2.133   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1       0.714  -3.370   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1       0.714  -1.720   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       0.714  -0.895   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.001  -0.483   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.715  -0.895   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1      -0.715  -1.720   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       5.716   7.083   0.000  1.00  0.00           C  
HETATM   45  N   UNL     1       5.002   6.670   0.000  1.00  0.00           N  
HETATM   46  C   UNL     1       4.287   7.083   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1       3.573   6.670   0.000  1.00  0.00           C  
HETATM   48  N   UNL     1       2.858   7.083   0.000  1.00  0.00           N  
HETATM   49  C   UNL     1       2.144   6.670   0.000  1.00  0.00           C  
HETATM   50  C   UNL     1       1.429   7.083   0.000  1.00  0.00           C  
HETATM   51  N   UNL     1       0.715   6.670   0.000  1.00  0.00           N  
HETATM   52  O   UNL     1       3.573   5.845   0.000  1.00  0.00           O  
HETATM   53  O   UNL     1       1.429   7.908   0.000  1.00  0.00           O  
HETATM   54  C   UNL     1       2.144   5.845   0.000  1.00  0.00           C  
HETATM   55  C   UNL     1       1.429   5.433   0.000  1.00  0.00           C  
HETATM   56  C   UNL     1       4.287   7.908   0.000  1.00  0.00           C  
HETATM   57  C   UNL     1      -0.039   7.006   0.000  1.00  0.00           C  
HETATM   58  C   UNL     1      -0.591   6.393   0.000  1.00  0.00           C  
HETATM   59  C   UNL     1      -0.178   5.678   0.000  1.00  0.00           C  
HETATM   60  C   UNL     1       0.629   5.850   0.000  1.00  0.00           C  
HETATM   61  C   UNL     1      -0.252   7.803   0.000  1.00  0.00           C  
HETATM   62  C   UNL     1       0.331   8.386   0.000  1.00  0.00           C  
HETATM   63  N   UNL     1       0.118   9.183   0.000  1.00  0.00           N  
HETATM   64  C   UNL     1      -0.679   9.397   0.000  1.00  0.00           C  
HETATM   65  C   UNL     1      -1.263   8.813   0.000  1.00  0.00           C  
HETATM   66  C   UNL     1      -1.049   8.016   0.000  1.00  0.00           C  
HETATM   67  C   UNL     1      -2.059   9.027   0.000  1.00  0.00           C  
HETATM   68  C   UNL     1      -2.643   8.443   0.000  1.00  0.00           C  
HETATM   69  O   UNL     1      -2.273   9.824   0.000  1.00  0.00           O  
HETATM   70  C   UNL     1      -3.440   8.657   0.000  1.00  0.00           C  
HETATM   71  C   UNL     1      -4.023   8.074   0.000  1.00  0.00           C  
HETATM   72  C   UNL     1      -3.810   7.277   0.000  1.00  0.00           C  
HETATM   73  C   UNL     1      -3.013   7.063   0.000  1.00  0.00           C  
HETATM   74  C   UNL     1      -2.429   7.646   0.000  1.00  0.00           C  
HETATM   75  F   UNL     1      -4.393   6.693   0.000  1.00  0.00           F  
HETATM   76  C   UNL     1       1.429   4.608   0.000  1.00  0.00           C  
HETATM   77  C   UNL     1       0.715   4.195   0.000  1.00  0.00           C  
HETATM   78  N   UNL     1       0.715   3.370   0.000  1.00  0.00           N  
HETATM   79  C   UNL     1       0.001   2.958   0.000  1.00  0.00           C  
HETATM   80  C   UNL     1       0.001   2.133   0.000  1.00  0.00           C  
HETATM   81  O   UNL     1      -0.714   3.370   0.000  1.00  0.00           O  
HETATM   82  C   UNL     1      -0.714   1.720   0.000  1.00  0.00           C  
HETATM   83  C   UNL     1      -0.714   0.895   0.000  1.00  0.00           C  
HETATM   84  C   UNL     1       0.001   0.483   0.000  1.00  0.00           C  
HETATM   85  C   UNL     1       0.715   0.895   0.000  1.00  0.00           C  
HETATM   86  C   UNL     1       0.715   1.720   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4   13                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    7   11                                            
CONECT    7    6    8   10                                            
CONECT    8    7   14   17                                            
CONECT    9    4                                                      
CONECT   10    7                                                      
CONECT   11    6   12                                                 
CONECT   12   11   33                                                 
CONECT   13    3                                                      
CONECT   14    8   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16    8                                                 
CONECT   18   14   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   18                                                 
CONECT   24   22   25   26                                            
CONECT   25   24   27   31                                            
CONECT   26   24                                                      
CONECT   27   25   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   25                                                 
CONECT   32   29                                                      
CONECT   33   12   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37   38                                            
CONECT   37   36   39   43                                            
CONECT   38   36                                                      
CONECT   39   37   40                                                 
CONECT   40   39   41                                                 
CONECT   41   40   42   84                                            
CONECT   42   41   43                                                 
CONECT   43   42   37                                                 
CONECT   44   45                                                      
CONECT   45   44   46                                                 
CONECT   46   45   47   56                                            
CONECT   47   46   48   52                                            
CONECT   48   47   49                                                 
CONECT   49   48   50   54                                            
CONECT   50   49   51   53                                            
CONECT   51   50   57   60                                            
CONECT   52   47                                                      
CONECT   53   50                                                      
CONECT   54   49   55                                                 
CONECT   55   54   76                                                 
CONECT   56   46                                                      
CONECT   57   51   58   61                                            
CONECT   58   57   59                                                 
CONECT   59   58   60                                                 
CONECT   60   59   51                                                 
CONECT   61   57   62   66                                            
CONECT   62   61   63                                                 
CONECT   63   62   64                                                 
CONECT   64   63   65                                                 
CONECT   65   64   66   67                                            
CONECT   66   65   61                                                 
CONECT   67   65   68   69                                            
CONECT   68   67   70   74                                            
CONECT   69   67                                                      
CONECT   70   68   71                                                 
CONECT   71   70   72                                                 
CONECT   72   71   73   75                                            
CONECT   73   72   74                                                 
CONECT   74   73   68                                                 
CONECT   75   72                                                      
CONECT   76   55   77                                                 
CONECT   77   76   78                                                 
CONECT   78   77   79                                                 
CONECT   79   78   80   81                                            
CONECT   80   79   82   86                                            
CONECT   81   79                                                      
CONECT   82   80   83                                                 
CONECT   83   82   84                                                 
CONECT   84   83   85   41                                            
CONECT   85   84   86                                                 
CONECT   86   85   80                                                 
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
M  END

$$$$
D0GH0Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.953  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.953  -1.031   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.238  -1.444   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.524  -1.031   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.524  -0.206   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.238   0.206   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -2.750   0.007   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1      -3.199  -0.685   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.680  -1.326   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.023  -0.728   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.436  -0.013   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.261  -0.013   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.673  -0.728   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.261  -1.442   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.436  -1.442   0.000  1.00  0.00           C  
HETATM   16 CL   UNL     1      -6.498  -0.728   0.000  1.00  0.00          Cl  
HETATM   17  O   UNL     1      -1.238   1.031   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       0.190   0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.905  -0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.619   0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.619   1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.905   1.444   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.190   1.031   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       2.334  -0.206   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       2.334  -1.031   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.334   1.444   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       3.048   1.031   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.763   1.444   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       4.477   1.031   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       4.691   0.234   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.488   0.448   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.274   1.245   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       5.701  -0.349   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       6.498  -0.136   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       6.285   0.661   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   18                                            
CONECT    6    5    1   17                                            
CONECT    7    1    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13                                                      
CONECT   17    6                                                      
CONECT   18    5   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   20   25                                                 
CONECT   25   24                                                      
CONECT   26   21   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   32   33   35                                       
CONECT   32   31   29                                                 
CONECT   33   31   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   31                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0GH4B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.897   0.447   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.361  -0.235   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.856  -0.887   0.000  1.00  0.00           N  
HETATM    4  N   UNL     1      -0.080  -0.609   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.105   0.216   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.647  -1.000   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.348  -0.566   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.323   0.259   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.597   0.650   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.175   1.224   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.186  -0.260   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.672  -1.824   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.065  -2.195   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.113  -3.019   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.577  -3.471   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.314  -3.100   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.361  -2.277   0.000  1.00  0.00           C  
HETATM   18  F   UNL     1       2.004  -3.553   0.000  1.00  0.00           F  
HETATM   19  N   UNL     1       2.025   0.693   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.642   1.853   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.920   2.630   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.732   2.777   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.265   2.147   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.987   1.371   0.000  1.00  0.00           C  
HETATM   25 CL   UNL     1      -2.011   3.553   0.000  1.00  0.00          Cl  
HETATM   26  C   UNL     1       2.752   0.302   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.000   1.518   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.466   0.715   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       4.181   0.302   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1      -2.752  -0.821   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.181  -0.821   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.466  -0.408   0.000  1.00  0.00           C  
CONECT    1    2    5   10                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    1    9                                            
CONECT    6    4    7   12                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   19                                            
CONECT    9    8    5                                                 
CONECT   10    1   20   24                                            
CONECT   11    2   30                                                 
CONECT   12    6   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   12                                                 
CONECT   18   16                                                      
CONECT   19    8   26   27                                            
CONECT   20   10   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   10                                                 
CONECT   25   22                                                      
CONECT   26   19   28                                                 
CONECT   27   19                                                      
CONECT   28   26   29                                                 
CONECT   29   28                                                      
CONECT   30   11   32                                                 
CONECT   31   32                                                      
CONECT   32   30   31                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0GH8D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.704  -2.265   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.704  -3.090   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.989  -3.502   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.275  -3.090   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.275  -2.265   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.989  -1.852   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.490  -3.345   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.005  -2.677   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.490  -2.010   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.235  -1.225   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.428  -1.054   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.173  -0.269   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.725   0.344   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.532   0.173   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.787  -0.612   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1       0.634  -0.097   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.889   0.687   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.092   0.901   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.686   0.901   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.899   1.698   0.000  1.00  0.00           N  
HETATM   21  O   UNL     1       2.269   0.317   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       2.696   1.911   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.675   1.484   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.122   1.698   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.910   2.708   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1       3.704   2.495   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1       3.122   3.502   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       2.115   2.921   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   12   17                                                 
CONECT   17   16   18   19   23                                       
CONECT   18   17                                                      
CONECT   19   17   20   21                                            
CONECT   20   19   22                                                 
CONECT   21   19                                                      
CONECT   22   25   20                                                 
CONECT   23   17   24                                                 
CONECT   24   23                                                      
CONECT   25   26   27   28   22                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0GH8J
  -OEChem-09301911232D

 35 37  0     0  0  0  0  0  0999 V2000
   10.9055   -1.0974    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3582   -1.6644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891   -1.9734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071   -1.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1013   -2.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0524   -2.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -2.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2603   -1.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7955   -2.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -2.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2113   -0.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7465   -2.3846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9545   -1.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6127   -2.7152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3924   -2.8809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625   -3.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.1956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7995   -0.6315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6666   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7336   -3.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3402   -0.1308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2073   -2.7994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.4244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.9244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 23  1  0  0  0  0
  3 35  1  0  0  0  0
  4 23  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6 17  2  0  0  0  0
  7 10  2  0  0  0  0
  7 21  1  0  0  0  0
  8 12  2  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  0  0  0  0
 12 26  1  0  0  0  0
 13 16  2  0  0  0  0
 13 27  1  0  0  0  0
 14 18  1  0  0  0  0
 14 28  1  0  0  0  0
 15 19  2  0  0  0  0
 15 29  1  0  0  0  0
 16 20  1  0  0  0  0
 16 23  1  0  0  0  0
 17 30  1  0  0  0  0
 18 22  2  0  0  0  0
 18 32  1  0  0  0  0
 19 22  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  2  0  0  0  0
 20 31  1  0  0  0  0
 21 34  1  0  0  0  0
M  END

$$$$
D0GH9W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.418   2.227   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.418   1.402   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.133   0.989   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.847   1.402   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.847   2.227   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.133   2.639   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.133   0.164   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.418  -0.248   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.418  -1.073   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.133  -1.486   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.847  -1.073   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.847  -0.248   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.704   0.989   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.011   1.402   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.725   0.989   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.011   2.227   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.479   1.325   0.000  1.00  0.00           C  
HETATM   18  S   UNL     1      -2.031   0.712   0.000  1.00  0.00           S  
HETATM   19  C   UNL     1      -1.619  -0.003   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.811   0.169   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.954  -0.756   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.133   3.464   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.761  -0.928   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.847  -1.748   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1      -2.093  -2.084   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.541  -1.471   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.133  -2.311   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       2.847  -2.723   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -1.880  -2.881   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.463  -3.464   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   22                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   27                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    2   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   17   20                                            
CONECT   16   14                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   15                                                 
CONECT   21   19   23   26                                            
CONECT   22    6                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   21                                                 
CONECT   27   10   28                                                 
CONECT   28   27                                                      
CONECT   29   25   30                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END

$$$$

$$$$
D0GI4S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.686  -0.985   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.974  -1.396   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.262  -0.985   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.450  -1.396   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       1.162  -0.985   0.000  1.00  0.00           C  
HETATM    6  B   UNL     1       1.874  -1.396   0.000  1.00  0.00           B  
HETATM    7  O   UNL     1       2.586  -0.985   0.000  1.00  0.00           O  
HETATM    8  N   UNL     1      -2.398  -1.396   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -0.262  -0.163   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.162  -0.163   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       1.874  -2.218   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       1.874   0.248   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.110  -0.985   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.822  -1.396   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.822  -2.218   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.110  -2.630   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.398  -2.218   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.625  -0.086   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       3.175   0.525   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       2.764   1.237   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.960   1.066   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.018   2.018   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.468   2.630   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.664   2.458   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.410   1.677   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.822   2.189   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.686  -2.630   0.000  1.00  0.00           O  
CONECT    1    2    8                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   10                                            
CONECT    6    5    7   11                                            
CONECT    7    6                                                      
CONECT    8    1   13   17                                            
CONECT    9    3                                                      
CONECT   10    5   12                                                 
CONECT   11    6                                                      
CONECT   12   10   18   21                                            
CONECT   13    8   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16    8   27                                            
CONECT   18   12   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   12   25                                            
CONECT   22   20   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
CONECT   26   22                                                      
CONECT   27   17                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0GI7I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.506   1.323   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.506   0.498   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.792   0.085   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.078   0.498   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.078   1.323   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.792   1.735   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.363   1.735   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.649   1.323   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.649   0.498   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.934   0.085   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.220   0.498   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.220   1.323   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.934   1.735   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.505   1.735   0.000  1.00  0.00           C  
HETATM   15 CL   UNL     1      -6.221   0.085   0.000  1.00  0.00          Cl  
HETATM   16  N   UNL     1       0.209   1.323   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.423   0.526   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.220   0.740   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.006   1.536   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.220  -0.085   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.934  -0.498   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.649  -0.085   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.649   0.740   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.934   1.152   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.363  -0.498   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       4.078  -0.085   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       4.792  -0.498   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       3.363  -1.323   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       4.792  -1.323   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       5.506  -1.735   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       6.221  -1.323   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       6.221  -0.498   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       5.506  -0.085   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   15                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    8                                                 
CONECT   14   12   16                                                 
CONECT   15    2                                                      
CONECT   16   14   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   20   24                                       
CONECT   19   18   16                                                 
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
CONECT   25   22   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   29   33                                            
CONECT   28   25                                                      
CONECT   29   27   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   27                                                 
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0GK1K
  -OEChem-09301911162D

 41 43  0     0  0  0  0  0  0999 V2000
    2.5369   -1.0137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4030   -0.4796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.5137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2632    1.0238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    0.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7991    1.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -0.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290   -1.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    1.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7953    2.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5273    2.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6594    2.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    0.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1311    0.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2593    2.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0218    1.6409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708   -0.8466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0218   -1.6684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6694   -0.1062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.6063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2571    2.3183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0630    2.3292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6570    3.1337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -2.3237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8232   -0.0110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6693    0.2192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4391    1.0652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8793    2.0262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2569    2.6438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6393    2.0214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 41  1  0  0  0  0
  2 21  2  0  0  0  0
  3 22  2  0  0  0  0
  4 21  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 14  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 16  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  2  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 17  2  0  0  0  0
 12 22  1  0  0  0  0
 13 15  1  0  0  0  0
 13 28  1  0  0  0  0
 14 18  2  0  0  0  0
 14 29  1  0  0  0  0
 15 19  2  0  0  0  0
 15 21  1  0  0  0  0
 16 20  2  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
M  END

$$$$
D0GL1X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143   1.444   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.715  -0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.000   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.715  -0.206   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       0.000   1.031   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.715  -1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.429  -1.444   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.143  -1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.143  -0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.429   0.206   0.000  1.00  0.00           C  
HETATM   16 CL   UNL     1      -3.572   1.444   0.000  1.00  0.00          Cl  
HETATM   17 CL   UNL     1      -3.572  -0.206   0.000  1.00  0.00          Cl  
HETATM   18  N   UNL     1       2.858   0.206   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       2.858  -1.444   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       3.572  -1.031   0.000  1.00  0.00           C  
CONECT    1    2    6   16                                            
CONECT    2    1    3   17                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8   11   15                                            
CONECT   10    8                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   19                                            
CONECT   14   13   15   18                                            
CONECT   15   14    9                                                 
CONECT   16    1                                                      
CONECT   17    2                                                      
CONECT   18   14                                                      
CONECT   19   13   20                                                 
CONECT   20   19                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0GN5K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.792  -1.735   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.792  -2.560   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.078  -2.973   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.363  -2.560   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.363  -1.735   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.078  -1.323   0.000  1.00  0.00           N  
HETATM    7 CL   UNL     1      -5.507  -2.973   0.000  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -2.649  -1.323   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.934  -1.735   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.220  -1.323   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.505  -1.735   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.209  -1.323   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.209  -0.498   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.505  -0.085   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.220  -0.498   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.924  -0.085   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.638  -0.498   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.353  -0.085   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.353   0.740   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.638   1.152   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.924   0.740   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.067   1.152   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1      -0.505   0.740   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       3.864   0.939   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.078   1.735   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.281   1.949   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.792   1.323   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.507   1.735   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       5.507   2.560   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       4.792   2.973   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.078   2.560   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       2.868   2.663   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   23                                            
CONECT   15   14   10                                                 
CONECT   16   13   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   19   24   26                                            
CONECT   23   14                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26   27   31                                       
CONECT   26   25   22   32                                            
CONECT   27   25   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   25                                                 
CONECT   32   26                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0GN5R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.473   1.038   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.473   0.213   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.758  -0.200   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.044   0.213   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.044   1.038   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.758   1.450   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.399  -0.302   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.595  -0.118   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.236   0.625   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.595   1.369   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.399   1.552   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.171   2.077   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.714   2.698   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.473   2.374   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.589   0.625   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.001   1.340   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       0.589   2.054   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.080  -0.763   0.000  1.00  0.00           C  
HETATM   19  H   UNL     1      -2.758  -1.025   0.000  1.00  0.00           H  
HETATM   20  C   UNL     1      -0.382  -1.531   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.133  -2.176   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.949  -2.053   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.250  -1.285   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.736  -0.640   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.463  -2.698   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       2.235   1.342   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.648   0.628   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.473   0.628   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.410   1.342   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.998   0.628   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   19                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   18                                            
CONECT    9    8   10   15                                            
CONECT   10    9   11   12                                            
CONECT   11   10    5   14                                            
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   11                                                 
CONECT   15    9   16                                                 
CONECT   16   15   17   26                                            
CONECT   17   16                                                      
CONECT   18    8   20   24                                            
CONECT   19    3                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
CONECT   25   22                                                      
CONECT   26   16   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27                                                      
CONECT   29   26   30                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0GN7U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.868  -1.321   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.868  -2.146   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.154  -2.559   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.439  -2.146   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.439  -1.321   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.154  -0.909   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.725  -0.909   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.010  -1.321   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.296  -0.909   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.296  -0.084   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.010   0.329   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.725  -0.084   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.419   0.329   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.133  -0.084   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.419   1.154   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.296   1.566   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.133   1.566   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.419   1.979   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.848   1.154   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       1.133   2.391   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.562   1.566   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.316   1.231   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.868   1.844   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.455   2.559   0.000  1.00  0.00           C  
HETATM   25  S   UNL     1       2.649   2.387   0.000  1.00  0.00           S  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   16   17   18                                       
CONECT   16   15                                                      
CONECT   17   15   19   20                                            
CONECT   18   15                                                      
CONECT   19   17   21                                                 
CONECT   20   17                                                      
CONECT   21   19   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0GQ0V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.497  -0.123   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.497  -0.948   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.218  -1.360   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.932  -0.948   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.932  -0.123   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.218   0.290   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.211   0.290   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.647  -1.360   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.733  -2.181   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.540  -2.352   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.952  -1.638   0.000  1.00  0.00           C  
HETATM   12  S   UNL     1       2.400  -1.025   0.000  1.00  0.00           S  
HETATM   13  C   UNL     1      -1.211   1.115   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.926   1.527   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.640   1.115   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.640   0.290   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.926  -0.123   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.355   1.527   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.355   2.352   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.938   2.111   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.180   1.527   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.767  -1.567   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       4.180  -0.852   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       4.180  -2.281   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.212  -1.360   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.037  -1.360   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3   25                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1   13   17                                            
CONECT    8    4    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   22                                            
CONECT   12   11    8                                                 
CONECT   13    7   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16    7                                                 
CONECT   18   15   19   20   21                                       
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   18                                                      
CONECT   22   11   23   24                                            
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25    2   26                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0GQ2Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.189  -0.581   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.364  -0.581   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.951   0.133   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.364   0.848   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.189   0.848   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.601   0.133   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.126   0.133   0.000  1.00  0.00           C  
HETATM    8  F   UNL     1      -4.426   0.133   0.000  1.00  0.00           F  
HETATM    9  N   UNL     1      -0.543  -0.450   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.192  -0.076   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.063   0.739   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.752   0.868   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.962  -0.371   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.603   0.148   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.474   0.963   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.704   1.258   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.374  -0.148   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.503  -0.963   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       3.273  -1.258   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       3.914  -0.739   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.785   0.076   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.015   0.371   0.000  1.00  0.00           C  
HETATM   23  H   UNL     1       2.886   1.186   0.000  1.00  0.00           H  
HETATM   24  F   UNL     1       4.426   0.595   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    3    9   12                                            
CONECT    8    6                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12   16                                            
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   14   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   17   23                                            
CONECT   23   22                                                      
CONECT   24   21                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0GQ6D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.113  -0.233   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.113  -1.058   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.399  -1.471   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.684  -1.058   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.684  -0.233   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.399   0.179   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.970   0.179   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.970   1.004   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.684   1.417   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.684   2.242   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.399   2.654   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.113   2.242   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.113   1.417   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.399   1.004   0.000  1.00  0.00           C  
HETATM   15  F   UNL     1      -3.828   2.654   0.000  1.00  0.00           F  
HETATM   16  S   UNL     1      -3.828  -1.471   0.000  1.00  0.00           S  
HETATM   17  O   UNL     1      -4.240  -0.756   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1      -3.415  -2.185   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.542  -1.883   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.255  -0.233   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.255  -1.058   0.000  1.00  0.00           O  
HETATM   22  N   UNL     1       0.459   0.179   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.174  -0.233   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       1.260  -1.054   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       2.067  -1.225   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.479  -0.511   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       1.927   0.102   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       2.479  -1.940   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.304  -1.940   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.717  -1.225   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.304  -0.511   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.717  -2.654   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       4.542  -2.654   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   16                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   20                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12                                                      
CONECT   16    2   17   18   19                                       
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19   16                                                      
CONECT   20    7   21   22                                            
CONECT   21   20                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27   31                                            
CONECT   27   26   23                                                 
CONECT   28   25   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   29   33                                                 
CONECT   33   32                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0GQ7L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.858  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.858   1.444   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.429  -0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.715   0.206   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.000  -0.206   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.715   0.206   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.715   1.031   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.000   1.444   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.715   1.031   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.429  -0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.429  -1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.143  -1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.858  -1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.858  -0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.143   0.206   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       2.143   1.031   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.858   1.444   0.000  1.00  0.00           C  
HETATM   22  F   UNL     1       3.572  -1.444   0.000  1.00  0.00           F  
HETATM   23  C   UNL     1      -4.287  -0.206   0.000  1.00  0.00           C  
HETATM   24  S   UNL     1      -5.001   0.206   0.000  1.00  0.00           S  
HETATM   25  O   UNL     1      -4.589   0.921   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1      -5.414  -0.508   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -5.716   0.619   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.572   1.031   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.572   0.206   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.287  -0.206   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.001   0.206   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.001   1.031   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.287   1.444   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1       5.716   1.444   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   23                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   14   20                                            
CONECT   20   19   21                                                 
CONECT   21   20   28                                                 
CONECT   22   17                                                      
CONECT   23    2   24                                                 
CONECT   24   23   25   26   27                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
CONECT   28   21   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   34                                            
CONECT   33   32   28                                                 
CONECT   34   32                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0GQ8W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.013   1.305   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.227   0.508   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.535   0.059   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.106   0.578   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.190   1.349   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.597   1.889   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.394   1.675   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.607   0.878   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.024   0.295   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.921   0.449   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.440   1.090   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.145   1.861   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.330   1.990   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.404   0.665   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -4.119   1.077   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.728   2.444   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.525   2.231   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       1.514   3.241   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.738   1.434   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.535   1.220   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.119   1.803   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.905   2.600   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.108   2.814   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.535  -0.766   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.179  -1.178   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.179  -2.003   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.894  -2.416   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.894  -3.241   0.000  1.00  0.00           C  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   24                                            
CONECT    4    3    5   10                                            
CONECT    5    4    1   13                                            
CONECT    6    1    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   14                                            
CONECT    9    8    2                                                 
CONECT   10    4   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12    5                                                 
CONECT   14    8   15                                                 
CONECT   15   14                                                      
CONECT   16   12   17   18                                            
CONECT   17   16   19   23                                            
CONECT   18   16                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   17                                                 
CONECT   24    3   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0GR1X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.337   1.189   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.051   0.776   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.174  -0.040   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.613  -0.644   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.210  -0.583   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.674   0.099   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.431   0.887   0.000  1.00  0.00           C  
HETATM    8  S   UNL     1      -1.733   1.241   0.000  1.00  0.00           S  
HETATM    9  C   UNL     1       1.036   1.448   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.824   1.205   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.429   1.766   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.217   1.523   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       3.822   2.084   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -1.923  -0.386   0.000  1.00  0.00           N  
HETATM   15  N   UNL     1      -1.824  -1.205   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.015  -1.365   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.622  -1.297   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.447  -1.297   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.860  -0.583   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.860  -2.011   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.429  -1.766   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.217  -1.523   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.822  -2.084   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.401  -0.719   0.000  1.00  0.00           C  
CONECT    1    2    7                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4   14                                            
CONECT    4    3    5   16                                            
CONECT    5    4    6   17                                            
CONECT    6    5    7                                                 
CONECT    7    6    1    9                                            
CONECT    8    2                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12                                                      
CONECT   14    3   15                                                 
CONECT   15   14   16   21                                            
CONECT   16   15    4                                                 
CONECT   17    5   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   15   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22                                                      
CONECT   24   22                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0GS2P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.786   0.221   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.608   0.154   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       2.077   0.833   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.724   1.579   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.901   1.645   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.432   0.967   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.390   1.033   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.899   0.766   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.252   0.021   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       4.075  -0.046   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       4.428  -0.791   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       5.250  -0.858   0.000  1.00  0.00           O  
HETATM   13  S   UNL     1      -0.819   1.738   0.000  1.00  0.00           S  
HETATM   14  C   UNL     1      -1.622   1.547   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.689   0.725   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.927   0.407   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.393   0.296   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.117   0.691   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.822   0.262   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.802  -0.563   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.078  -0.959   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.374  -0.529   0.000  1.00  0.00           C  
HETATM   23 XX   UNL     1      -4.546   0.657   0.000  1.00  0.00          Xx  
HETATM   24  C   UNL     1      -5.250   0.228   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.231  -0.597   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.507  -0.992   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.976  -1.671   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.153  -1.738   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.080   1.286   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.077   1.336   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6   13   16                                            
CONECT    8    3    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11                                                      
CONECT   13    7   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15    7                                                 
CONECT   17   15   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21   26                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   19   24   29   30                                       
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   20   27   28                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   23                                                      
CONECT   30   23                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0GS6T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.492  -0.329   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.492  -1.154   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.778  -1.567   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.063  -1.154   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.063  -0.329   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.778   0.084   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.105  -1.706   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.770  -2.460   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.949  -2.373   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.778   0.908   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.349  -1.567   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.349  -2.392   0.000  1.00  0.00           O  
HETATM   13  N   UNL     1       0.366  -1.154   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.080  -1.567   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1       1.167  -2.387   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1       1.974  -2.558   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.386  -1.844   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.834  -1.231   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       3.207  -1.758   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.063   1.321   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.063   2.146   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.778   2.558   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.492   2.146   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.492   1.321   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.207   0.908   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5   11                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   10                                            
CONECT    7    2    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    3                                                 
CONECT   10    6   20   24                                            
CONECT   11    4   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   14                                                 
CONECT   19   17                                                      
CONECT   20   10   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   10   25                                            
CONECT   25   24                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0GT0I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.329  -0.536   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.543  -1.333   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.149  -1.782   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.790  -1.263   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.494  -0.493   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.614  -1.220   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.827  -0.423   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.136   0.026   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.598  -0.127   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       2.727   0.688   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1       3.239  -0.647   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       4.009  -0.351   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.313  -1.629   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.954  -1.109   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.825  -0.295   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.466   0.225   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.237  -0.071   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.366  -0.886   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.725  -1.405   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.878   0.448   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.749   1.263   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.390   1.782   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.160   1.487   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.289   0.672   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.648   0.153   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.650  -0.870   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       4.133  -1.509   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       5.289  -1.387   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1       5.168  -0.231   0.000  1.00  0.00           F  
HETATM   30  C   UNL     1       4.138   0.464   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       4.950   0.335   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       4.267   1.276   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       3.326   0.593   0.000  1.00  0.00           F  
CONECT    1    2    5                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    1    8                                            
CONECT    6    4    7                                                 
CONECT    7    6    8    9                                            
CONECT    8    7    5                                                 
CONECT    9    7   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   12                                                 
CONECT   12   26   30   11                                            
CONECT   13    2   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   27   28   29   12                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30   31   32   33   12                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0GT5M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.020  -1.367   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.020  -2.192   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.694  -2.604   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.409  -2.192   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.409  -1.367   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.694  -0.954   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.054  -2.706   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       2.858  -2.522   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       3.216  -1.779   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.858  -1.036   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.054  -0.852   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1       3.281  -0.328   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       2.738   0.294   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.980  -0.030   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.271   0.393   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.290   1.217   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.585   1.646   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.139   1.217   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.139   0.393   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.585  -0.036   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.856   1.626   0.000  1.00  0.00           C  
HETATM   22 CL   UNL     1      -0.735  -2.604   0.000  1.00  0.00          Cl  
HETATM   23  N   UNL     1      -0.856   2.451   0.000  1.00  0.00           N  
HETATM   24  S   UNL     1      -1.640   2.706   0.000  1.00  0.00           S  
HETATM   25  C   UNL     1      -2.125   2.038   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.640   1.371   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.946   1.952   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.281   1.199   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.796   0.531   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.976   0.617   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   22                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10    5   14                                            
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   11   15                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   23   26                                            
CONECT   22    2                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   21   30                                            
CONECT   27   25   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   26                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0GT7A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.217  -0.794   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.217  -1.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.931  -2.032   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.646  -1.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.646  -0.794   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.931  -0.382   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.430  -1.874   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.915  -1.207   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.430  -0.539   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.685   0.245   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.685  -2.659   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.133  -3.272   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.492  -2.830   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.044  -2.217   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.931   0.443   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.217   0.856   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1       1.646   0.856   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.646   1.681   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.360   2.093   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.114   1.758   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.666   2.371   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1       3.253   3.085   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.446   2.914   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.833   3.466   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.589   3.839   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.104   4.507   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       3.285   0.951   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.498  -2.032   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.212  -1.619   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.927  -2.032   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.927  -2.857   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1      -1.212  -3.269   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1      -0.498  -2.857   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1      -2.641  -3.269   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1      -3.356  -2.857   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.070  -3.269   0.000  1.00  0.00           C  
HETATM   37  N   UNL     1      -4.070  -4.094   0.000  1.00  0.00           N  
HETATM   38  C   UNL     1      -3.356  -4.507   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.641  -4.094   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       4.070   0.696   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   28                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   15                                            
CONECT    7    4    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9                                                      
CONECT   11    7   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14                                                 
CONECT   14   13                                                      
CONECT   15    6   16   17                                            
CONECT   16   15                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21   27                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   19   24                                            
CONECT   24   23                                                      
CONECT   25   22   26                                                 
CONECT   26   25                                                      
CONECT   27   20   40                                                 
CONECT   28    2   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34   31   35   39                                            
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   34                                                 
CONECT   40   27                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0GT9T
  -OEChem-09301911142D

 74 79  0     0  0  0  0  0  0999 V2000
    9.8744    3.8292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -3.2320    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.4580    6.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.6340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.8660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.8660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4580    4.6340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8744    5.4387    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.6340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9580    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8241    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8241    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9580    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -5.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -6.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4580    4.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    5.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    5.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7976    6.0989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6120    4.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4346    4.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4346    6.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6120    6.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -4.7584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -5.4486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -2.8911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -2.8911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -5.8410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -5.8410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067   -3.9737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082   -3.2834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -3.2584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -3.9486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728   -5.4737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742   -4.7834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7680    4.0970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4422   -6.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -6.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6822   -6.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.9440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    6.2540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    5.4440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.3240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.7540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.3240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    3.9440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  1 33  1  0  0  0  0
  2 31  1  0  0  0  0
  3 31  1  0  0  0  0
  4 31  1  0  0  0  0
  5 16  2  0  0  0  0
  6 36  2  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 21  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 22  1  0  0  0  0
  9 16  1  0  0  0  0
  9 25  1  0  0  0  0
  9 61  1  0  0  0  0
 10 25  2  0  0  0  0
 10 32  1  0  0  0  0
 11 30  1  0  0  0  0
 11 36  1  0  0  0  0
 11 68  1  0  0  0  0
 12 33  1  0  0  0  0
 12 35  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 44  1  0  0  0  0
 14 15  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 15 47  1  0  0  0  0
 15 48  1  0  0  0  0
 17 19  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 20  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 19 53  1  0  0  0  0
 19 54  1  0  0  0  0
 20 55  1  0  0  0  0
 20 56  1  0  0  0  0
 21 23  1  0  0  0  0
 21 57  1  0  0  0  0
 21 58  1  0  0  0  0
 22 24  1  0  0  0  0
 22 59  1  0  0  0  0
 22 60  1  0  0  0  0
 23 26  2  0  0  0  0
 23 27  1  0  0  0  0
 24 62  1  0  0  0  0
 24 63  1  0  0  0  0
 24 64  1  0  0  0  0
 26 28  1  0  0  0  0
 26 31  1  0  0  0  0
 27 29  2  0  0  0  0
 27 65  1  0  0  0  0
 28 30  2  0  0  0  0
 28 66  1  0  0  0  0
 29 30  1  0  0  0  0
 29 67  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 37  2  0  0  0  0
 34 69  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
 36 39  1  0  0  0  0
 37 70  1  0  0  0  0
 38 40  2  0  0  0  0
 38 41  1  0  0  0  0
 39 40  1  0  0  0  0
 39 42  2  0  0  0  0
 40 71  1  0  0  0  0
 41 43  2  0  0  0  0
 41 72  1  0  0  0  0
 42 43  1  0  0  0  0
 42 73  1  0  0  0  0
 43 74  1  0  0  0  0
M  END

$$$$
D0GV1S
  -OEChem-09301911252D

 55 59  0     1  0  0  0  0  0999 V2000
    7.2066    0.4029    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9386    3.4029    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2305   -2.6014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6152   -1.1316    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.5101   -3.6214    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5921    0.8683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3405    1.9029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2066    3.4029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4986   -2.6214    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3588   -2.1115    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6268   -2.1315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3472   -1.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4754   -0.6216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7435   -0.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7319    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8833   -1.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8602    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0116   -0.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5806    1.8682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4745    2.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6745    2.3821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4745    3.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6745    3.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5806    3.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3405    3.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2066    2.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0726    1.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0726    0.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9386    2.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9386    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8046    1.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8046    0.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9652   -2.9376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3659   -2.7314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0150   -2.0309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4215   -2.7165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9590   -1.2121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5525   -0.5265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8684   -0.1421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0714   -0.1513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0506   -3.9252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9768   -3.9376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7638   -2.2852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8905   -1.7715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1326    0.5645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8530    1.4682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4782   -0.9778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1388    2.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1388    3.7358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5877    4.5575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3405    4.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9386   -0.2171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3416    2.2129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3416    0.5929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 30  1  0  0  0  0
 11  3  1  6  0  0  0
  3 44  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
 10  5  1  6  0  0  0
  5 42  1  0  0  0  0
  5 43  1  0  0  0  0
  6 16  1  0  0  0  0
  6 20  1  0  0  0  0
  6 46  1  0  0  0  0
  7 18  2  0  0  0  0
  7 19  1  0  0  0  0
  8 21  2  0  0  0  0
  8 27  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 34  1  0  0  0  0
 11 13  1  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 45  1  0  0  0  0
 18 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 49  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 25  2  0  0  0  0
 24 50  1  0  0  0  0
 25 51  1  0  0  0  0
 26 52  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 33  2  0  0  0  0
 31 53  1  0  0  0  0
 32 33  1  0  0  0  0
 32 54  1  0  0  0  0
 33 55  1  0  0  0  0
M  END

$$$$
D0GV3X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.182  -0.968   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.432  -1.311   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.127  -0.704   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.279   0.015   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.087  -0.148   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.750   0.343   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.507   0.016   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.602  -0.804   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.939  -1.296   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.952  -0.713   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.371  -0.003   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.966   0.716   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.141   0.725   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.357  -1.431   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.182  -1.440   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.602  -0.730   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       2.196  -0.011   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.270   1.440   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.148   1.440   0.000  1.00  0.00           N  
CONECT    1    2    5    9                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   10                                            
CONECT    4    3    5   13                                            
CONECT    5    4    1    6                                            
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    1                                                 
CONECT   10    3   11   14                                            
CONECT   11   10   12   17                                            
CONECT   12   11   13                                                 
CONECT   13   12    4   18                                            
CONECT   14   10   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   11                                                 
CONECT   18   19   13                                                 
CONECT   19   18                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D0GV5G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.644   1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.644   0.619   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.930   0.206   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.215   0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.215   1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.930   1.856   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.359   1.856   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.501   0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.501  -0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.786   0.619   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.357   0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.357   1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.072   1.856   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.786   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.786  -1.031   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.072  -0.619   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.215  -1.031   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.930  -0.619   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       0.357   0.206   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       0.357  -0.619   0.000  1.00  0.00           O  
HETATM   22  N   UNL     1       1.072   0.619   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.786   0.206   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.786  -0.619   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.501  -1.031   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.215  -0.619   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.215   0.206   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.501   0.619   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1       2.501  -1.856   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1       3.930   0.619   0.000  1.00  0.00           F  
HETATM   31  O   UNL     1       3.930  -1.031   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       4.644  -0.619   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.644   0.206   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       5.359  -1.031   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       5.359  -0.206   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    4    9   10                                            
CONECT    9    8   16   18                                            
CONECT   10    8   11   15                                            
CONECT   11   10   12   17                                            
CONECT   12   11   13   20                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    9   17                                                 
CONECT   17   16   11                                                 
CONECT   18    9   19                                                 
CONECT   19   18                                                      
CONECT   20   12   21   22                                            
CONECT   21   20                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27   31                                            
CONECT   27   26   28   30                                            
CONECT   28   27   23                                                 
CONECT   29   25                                                      
CONECT   30   27                                                      
CONECT   31   26   32                                                 
CONECT   32   31   33   34   35                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0GV6B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.866   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.866  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.151  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.564  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.564   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.151   0.619   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.151   1.444   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.564   1.856   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.580   0.619   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.294   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.580   1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.294   1.856   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.294  -0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.278  -1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.278   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.992   1.856   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.992   2.681   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.278   3.094   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.564   2.681   0.000  1.00  0.00           C  
HETATM   20 CL   UNL     1       2.707   3.094   0.000  1.00  0.00          Cl  
HETATM   21  C   UNL     1       1.278  -1.856   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.564  -2.269   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.294   2.681   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.992  -0.619   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.992   0.206   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.151  -1.856   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1       0.564  -3.094   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -2.707  -1.333   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.882  -1.333   0.000  1.00  0.00           C  
CONECT    1    2    6    9                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   14                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7   15   19                                            
CONECT    9    1   10   11                                            
CONECT   10    9   13                                                 
CONECT   11    9   12                                                 
CONECT   12   11   23                                                 
CONECT   13   10   28   29                                            
CONECT   14    4   21   24                                            
CONECT   15    8   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18    8                                                 
CONECT   20   17                                                      
CONECT   21   14   22                                                 
CONECT   22   21   26   27                                            
CONECT   23   12                                                      
CONECT   24   14   25                                                 
CONECT   25   24                                                      
CONECT   26   22                                                      
CONECT   27   22                                                      
CONECT   28   13   29                                                 
CONECT   29   28   13                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0GW5F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.240   0.014   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.525   0.427   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.189   0.014   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.189  -0.811   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.525  -1.223   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.240  -0.811   0.000  1.00  0.00           C  
HETATM    7 BR   UNL     1      -0.904   0.427   0.000  1.00  0.00          Br  
HETATM    8  C   UNL     1       1.885  -1.325   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.689  -1.142   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       3.047  -0.398   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       2.689   0.345   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.885   0.528   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.671   1.325   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.904  -1.223   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.618  -0.811   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.333  -1.223   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.047  -0.811   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   14                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    3                                                      
CONECT    8    6    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    1   13                                            
CONECT   13   12                                                      
CONECT   14    4   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D0GW5H
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   1.522   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501   0.697   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786   0.284   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072   0.697   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072   1.522   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   1.935   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.357   1.935   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.357   2.760   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1      -3.215   0.284   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1       0.357   1.522   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.072   1.935   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.786   1.522   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.786   0.697   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.501   0.284   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.215   0.697   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.215   1.522   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.501   1.935   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       2.501   2.760   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       3.930   0.284   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.786  -0.540   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.501  -0.953   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.501  -1.778   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.786  -2.191   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.072  -1.778   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.072  -0.953   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.067  -2.760   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.235  -2.537   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.613  -2.716   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.235  -1.425   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.930   0.697   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    9                                            
CONECT    3    2    4   20                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   10                                            
CONECT    8    7                                                      
CONECT    9    2   30                                                 
CONECT   10    7   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   18                                            
CONECT   18   17                                                      
CONECT   19   15                                                      
CONECT   20    3   21   25   29                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25   28                                            
CONECT   25   24   20                                                 
CONECT   26   22   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   24   27                                                 
CONECT   29   27   20                                                 
CONECT   30    9                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0GW8L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.047   1.002   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.047   0.177   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.333  -0.235   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.618   0.177   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.618   1.002   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.333   1.415   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.096  -0.235   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.182  -1.056   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1       0.989  -1.227   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1       1.402  -0.513   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.850   0.101   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.431  -1.607   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.215  -1.353   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.829  -1.905   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.657  -2.712   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.872  -2.966   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.259  -2.414   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.762   1.415   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.476   1.002   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.191   1.415   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.905   1.002   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.620   1.415   0.000  1.00  0.00           O  
HETATM   23 CL   UNL     1      -2.270  -3.264   0.000  1.00  0.00          Cl  
HETATM   24 CL   UNL     1       0.525  -2.670   0.000  1.00  0.00          Cl  
HETATM   25  C   UNL     1       2.222  -0.426   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.707  -1.094   0.000  1.00  0.00           O  
HETATM   27  N   UNL     1       2.558   0.327   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       3.378   0.414   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.714   1.167   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.229   1.835   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.409   1.748   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.073   0.995   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.817   2.549   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       3.229   3.264   0.000  1.00  0.00           N  
HETATM   35  O   UNL     1       1.992   2.549   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1       4.026   2.048   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.609   1.465   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       5.406   1.678   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       5.620   2.475   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       5.036   3.059   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       4.239   2.845   0.000  1.00  0.00           C  
CONECT    1    2    6   18                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   25                                            
CONECT   11   10    7                                                 
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   23                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   24                                            
CONECT   18    1   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21                                                      
CONECT   23   15                                                      
CONECT   24   17                                                      
CONECT   25   10   26   27                                            
CONECT   26   25                                                      
CONECT   27   25   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33   36                                       
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   30   34   35                                            
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   30   37   41                                            
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41                                                 
CONECT   41   40   36                                                 
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D0GX6V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.176   1.927   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.176   1.102   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.462   0.689   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.747   1.102   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.747   1.927   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.462   2.339   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.033   0.689   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.946  -0.131   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.139  -0.303   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.273   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.279   1.025   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.560  -0.683   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.344  -0.428   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.957  -0.980   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.786  -1.787   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.001  -2.042   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.388  -1.490   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -3.399  -2.339   0.000  1.00  0.00          Cl  
HETATM   19  C   UNL     1       1.093   0.498   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       1.579  -0.169   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1       1.429   1.252   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1       2.250   1.338   0.000  1.00  0.00           N  
HETATM   23 CL   UNL     1      -3.890   2.339   0.000  1.00  0.00          Cl  
HETATM   24 CL   UNL     1      -0.603  -1.745   0.000  1.00  0.00          Cl  
HETATM   25  C   UNL     1       2.735   0.670   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.555   0.757   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.890   1.510   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.406   2.178   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.585   2.092   0.000  1.00  0.00           C  
HETATM   30  S   UNL     1      -0.592   1.324   0.000  1.00  0.00           S  
HETATM   31  C   UNL     1      -1.175   1.908   0.000  1.00  0.00           C  
CONECT    1    2    6   23                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   19                                            
CONECT   11   10    7   30                                            
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   24                                            
CONECT   18   15                                                      
CONECT   19   10   20   21                                            
CONECT   20   19                                                      
CONECT   21   19   22                                                 
CONECT   22   21   25   29                                            
CONECT   23    1                                                      
CONECT   24   17                                                      
CONECT   25   22   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   22                                                 
CONECT   30   11   31                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0GX7W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.367   2.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.367   2.031   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.418   1.776   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.903   2.443   0.000  1.00  0.00           C  
HETATM    5  S   UNL     1       0.418   3.111   0.000  1.00  0.00           S  
HETATM    6  C   UNL     1      -1.034   1.546   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.748   1.959   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.362   1.407   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1      -2.026   0.653   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1      -1.206   0.739   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.653   0.126   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.908  -0.659   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.356  -1.272   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.715  -0.830   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       0.451  -1.100   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.003  -1.713   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.810  -1.542   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.064  -0.757   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.512  -0.144   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.706  -0.316   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.748  -2.498   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.300  -3.111   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.107  -2.939   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.362  -2.155   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    1                                                 
CONECT    6    2    7   10                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    6   11                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   15                                                 
CONECT   14   12                                                      
CONECT   15   13   16   20                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18   24                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   16   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   17                                                 
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0GX8J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.943   0.622   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.526   0.038   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.152  -0.697   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.337  -0.568   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.208   0.247   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.526  -1.432   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.473   0.622   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.758   0.209   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -1.451   1.446   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.044   0.622   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.758  -0.616   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.473  -1.028   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.473  -1.853   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.758  -2.266   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.044  -1.853   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.044  -1.028   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.671   0.209   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.671  -0.616   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.385  -1.028   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.100  -0.616   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.100   0.209   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.385   0.622   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       2.814   0.622   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       2.814   1.444   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1       2.814   2.266   0.000  1.00  0.00           F  
HETATM   26  F   UNL     1       2.102   1.855   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1       3.526   1.855   0.000  1.00  0.00           F  
CONECT    1    2    5                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4    1    7                                            
CONECT    6    3                                                      
CONECT    7    5    8    9                                            
CONECT    8    7   10   11                                            
CONECT    9    7                                                      
CONECT   10    8   17                                                 
CONECT   11    8   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   10   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   23   20   22                                            
CONECT   22   21   17                                                 
CONECT   23   24   21                                                 
CONECT   24   25   26   27   23                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0GY0E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.649   1.341   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.649   1.038   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.649   0.213   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.934  -0.200   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.220   0.213   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.220   1.038   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.934   1.450   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.575  -0.302   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       0.229  -0.118   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.587   0.625   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.229   1.369   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.575   1.552   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.652   2.077   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.110   2.698   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.649   2.374   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       1.412   0.625   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.825   1.340   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.412   2.054   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       0.744  -0.763   0.000  1.00  0.00           C  
HETATM   20  H   UNL     1      -1.934  -1.025   0.000  1.00  0.00           H  
HETATM   21  C   UNL     1       0.442  -1.531   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.957  -2.176   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.772  -2.053   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.074  -1.285   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.560  -0.640   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.287  -2.698   0.000  1.00  0.00           C  
CONECT    1   17                                                      
CONECT    2    3    7                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   20                                            
CONECT    5    4    6    8                                            
CONECT    6    5    7   12                                            
CONECT    7    6    2                                                 
CONECT    8    5    9                                                 
CONECT    9    8   10   19                                            
CONECT   10    9   11   16                                            
CONECT   11   10   12   13                                            
CONECT   12   11    6   15                                            
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   12                                                 
CONECT   16   10   17                                                 
CONECT   17   16   18    1                                            
CONECT   18   17                                                      
CONECT   19    9   21   25                                            
CONECT   20    4                                                      
CONECT   21   19   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   19                                                 
CONECT   26   23                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0GY2Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.138   0.940   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.138   0.115   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.423  -0.297   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.709   0.115   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.709   0.940   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.423   1.353   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.076  -0.140   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.561   0.528   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.076   1.195   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.331   1.980   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.259   1.972   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.671   2.687   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       2.496   2.687   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1       1.088   3.270   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.386   0.528   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.289  -0.937   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.086  -1.150   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.294  -1.520   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.091  -1.306   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.674  -1.890   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.461  -2.687   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.664  -2.900   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.081  -2.317   0.000  1.00  0.00           C  
HETATM   24 CL   UNL     1      -2.044  -3.270   0.000  1.00  0.00          Cl  
HETATM   25  O   UNL     1      -2.496   1.559   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.782   1.146   0.000  1.00  0.00           C  
CONECT    1    2    6   25                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   16                                            
CONECT    8    7    9   15                                            
CONECT    9    8    5   10                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15    8                                                      
CONECT   16    7   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   21                                                      
CONECT   25    1   26                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0GY4F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.551  -0.172   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.551  -0.997   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.837  -1.410   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.122  -0.997   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.122  -0.172   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.837   0.240   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.408   0.240   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.306  -0.172   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -0.408   1.065   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.021   0.240   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.736  -0.172   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.450   0.240   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.450   1.065   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.736   1.478   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.021   1.065   0.000  1.00  0.00           C  
HETATM   16 CL   UNL     1       3.164  -0.172   0.000  1.00  0.00          Cl  
HETATM   17  N   UNL     1      -3.164  -1.549   0.000  1.00  0.00           N  
HETATM   18  N   UNL     1      -2.829  -2.303   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.008  -2.217   0.000  1.00  0.00           C  
HETATM   20 CL   UNL     1       1.736   2.303   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3   17                                            
CONECT    3    2    4   19                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   20                                            
CONECT   15   14   10                                                 
CONECT   16   12                                                      
CONECT   17    2   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18    3                                                 
CONECT   20   14                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0GY8G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.061   1.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.061   1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.776   0.619   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       2.490   1.031   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.490   1.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.776   2.269   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.776  -0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.061  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.061  -1.444   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.776  -1.856   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.490  -1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.490  -0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.061  -2.269   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.346  -1.856   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       1.061  -3.094   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       2.490  -2.269   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.204  -1.856   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.346   0.619   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.368   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.082   0.619   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.368   1.856   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.836   0.954   0.000  1.00  0.00           C  
HETATM   23  S   UNL     1      -2.388   0.341   0.000  1.00  0.00           S  
HETATM   24  C   UNL     1      -1.976  -0.373   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.169  -0.202   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.311  -1.127   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.118  -1.298   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.204  -2.119   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1      -2.451  -2.454   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -1.899  -1.841   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       1.776   3.094   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   31                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13   16                                       
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   10   17                                                 
CONECT   17   16                                                      
CONECT   18    2   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   22   25                                            
CONECT   21   19                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   20                                                 
CONECT   26   24   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   26                                                 
CONECT   31    6                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END

$$$$

$$$$
D0GZ4G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.566   0.082   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.148  -0.330   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.863   0.082   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       1.577  -0.330   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.292   0.082   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       0.863   0.907   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1       3.006  -0.330   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.720   0.082   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.720   0.907   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.006   1.320   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.292   0.907   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.653   0.903   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.460   1.074   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.872   0.360   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.320  -0.253   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.693   0.274   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.178   0.941   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.998   0.855   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.333   0.101   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.849  -0.566   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.028  -0.480   0.000  1.00  0.00           C  
HETATM   22  H   UNL     1      -4.184  -1.320   0.000  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.543  -1.147   0.000  1.00  0.00           H  
HETATM   24  C   UNL     1       3.178  -1.137   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       3.998  -1.223   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1       4.333  -0.470   0.000  1.00  0.00           N  
CONECT    1    2   12   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4    7   11                                            
CONECT    6    3                                                      
CONECT    7    5    8   24                                            
CONECT    8    7    9   26                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    5                                                 
CONECT   12    1   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14    1                                                 
CONECT   16   14   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   16   23                                            
CONECT   22   20                                                      
CONECT   23   21                                                      
CONECT   24    7   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25    8                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0H0CH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.348  -0.191   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.348  -1.016   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.062  -1.429   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.777  -1.016   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.777  -0.191   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.062   0.221   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.437   0.064   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.922  -0.604   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.437  -1.271   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.747  -0.604   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.491   0.221   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       3.205  -0.191   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       3.920   0.221   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.920   1.046   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       4.634   1.459   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.159   0.111   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.984   0.111   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.397  -0.604   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.984  -1.318   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.159  -1.318   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.397   0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.984   1.540   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.397   2.254   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.222   2.254   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.634   1.540   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.222   0.825   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.747   0.825   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.062  -2.254   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.205  -1.016   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.920  -1.429   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.634  -1.016   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.634  -0.191   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       3.205   1.459   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   28                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   16   20                                            
CONECT   11    5   12                                                 
CONECT   12   11   13   29                                            
CONECT   13   12   14   32                                            
CONECT   14   13   15   33                                            
CONECT   15   14                                                      
CONECT   16   10   17   27                                            
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   10                                                 
CONECT   21   17   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   16                                                      
CONECT   28    3                                                      
CONECT   29   12   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   13                                                 
CONECT   33   14                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0H0GL
  -OEChem-09301911262D

 63 66  0     1  0  0  0  0  0999 V2000
    4.5981   -1.4571    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.8718   -1.4262    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.8564    2.5738    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    2.4090    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0429    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.6769    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3465    2.5775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.4812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8564    2.5776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8564    2.5699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4571    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -3.4571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.0637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580   -0.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9571    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7320   -1.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    1.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    1.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.0221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    1.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    0.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8525    3.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    1.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8680   -0.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320    0.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7166    4.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.0647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.3745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -3.9320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -3.9320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.3745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.0647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.8494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -3.5397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.1255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -0.5647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.0771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.1471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509   -1.1117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5249    2.0436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7278    2.0405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4643   -0.2416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6382    4.1555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2424    3.4637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2639    1.3892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702   -0.2308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0287    3.5413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2524    4.3891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4046    4.6128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 36  1  0  0  0  0
  3  9  2  0  0  0  0
  3 10  2  0  0  0  0
  3 32  1  0  0  0  0
  3 34  1  0  0  0  0
  4 28  1  0  0  0  0
  5 28  1  0  0  0  0
  6 28  1  0  0  0  0
  7 27  2  0  0  0  0
  8 30  2  0  0  0  0
 11 16  1  0  0  0  0
 11 18  1  0  0  0  0
 11 20  1  0  0  0  0
 15 12  1  6  0  0  0
 12 50  1  0  0  0  0
 12 51  1  0  0  0  0
 13 27  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 24  1  0  0  0  0
 14 30  1  0  0  0  0
 14 53  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 19  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 19  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 21  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 26  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 52  1  0  0  0  0
 29 31  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 32 35  1  0  0  0  0
 33 36  2  0  0  0  0
 33 56  1  0  0  0  0
 34 38  1  0  0  0  0
 34 57  1  0  0  0  0
 34 58  1  0  0  0  0
 35 37  2  0  0  0  0
 35 59  1  0  0  0  0
 36 37  1  0  0  0  0
 37 60  1  0  0  0  0
 38 61  1  0  0  0  0
 38 62  1  0  0  0  0
 38 63  1  0  0  0  0
M  END

$$$$
D0H0LO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.220  -0.055   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.505   0.357   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.791  -0.055   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.076   0.357   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.362  -0.055   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.353   0.357   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.067  -0.055   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.782   0.357   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.496  -0.055   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.677   1.164   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.497   1.250   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.833   0.497   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.640   0.325   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1      -1.791  -0.880   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.076   1.182   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.362   1.595   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.463   1.595   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.876   2.309   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.463   3.024   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.362   3.024   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.774   2.309   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       0.353   1.182   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.362  -0.880   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.774  -1.595   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.599  -1.595   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.012  -2.309   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.599  -3.024   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.774  -3.024   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.362  -2.309   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       1.067  -0.880   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       3.211   0.357   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       3.925  -0.055   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       4.640   0.357   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.640   1.182   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.925   1.595   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.211   1.182   0.000  1.00  0.00           C  
CONECT    1    2   12                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4   14                                            
CONECT    4    3    5   15                                            
CONECT    5    4    6   23                                            
CONECT    6    5    7   22                                            
CONECT    7    6    8   30                                            
CONECT    8    7    9                                                 
CONECT    9    8   31                                                 
CONECT   10    2   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    1   13                                            
CONECT   13   12                                                      
CONECT   14    3                                                      
CONECT   15    4   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22    6                                                      
CONECT   23    5   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30    7                                                      
CONECT   31    9   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0H0MO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNK A   0      -0.617  -0.742   0.000  1.00  0.00           C  
HETATM    2  C   UNK A   0       0.097  -0.329   0.000  1.00  0.00           C  
HETATM    3  N   UNK A   0       0.812  -0.742   0.000  1.00  0.00           N  
HETATM    4  C   UNK A   0       1.526  -0.329   0.000  1.00  0.00           C  
ATOM      5  N   THR A   1       2.241  -0.742   0.000  1.00  0.00           N  
ATOM      6  CA  THR A   1       2.955  -0.329   0.000  1.00  0.00           C  
ATOM      7  C   THR A   1       3.670  -0.742   0.000  1.00  0.00           C  
ATOM      8  O   THR A   1       4.384  -0.329   0.000  1.00  0.00           O  
HETATM    9  O   UNK A   0       1.526   0.496   0.000  1.00  0.00           O  
ATOM     10  OXT THR A   1       3.670  -1.567   0.000  1.00  0.00           O  
ATOM     11  CB  THR A   1       2.955   0.496   0.000  1.00  0.00           C  
HETATM   12  C   UNK A   0       0.097   0.496   0.000  1.00  0.00           C  
HETATM   13  O   UNK A   0      -1.371  -0.406   0.000  1.00  0.00           O  
HETATM   14  C   UNK A   0      -1.923  -1.019   0.000  1.00  0.00           C  
HETATM   15  N   UNK A   0      -1.510  -1.734   0.000  1.00  0.00           N  
HETATM   16  N   UNK A   0      -0.703  -1.562   0.000  1.00  0.00           N  
HETATM   17  C   UNK A   0      -2.743  -0.933   0.000  1.00  0.00           C  
HETATM   18  C   UNK A   0      -0.617   0.908   0.000  1.00  0.00           C  
ATOM     19  CG2 THR A   1       2.241   0.908   0.000  1.00  0.00           C  
ATOM     20  OG1 THR A   1       3.670   0.908   0.000  1.00  0.00           O  
HETATM   21  N   UNK A   0      -0.617   1.734   0.000  1.00  0.00           N  
HETATM   22  O   UNK A   0      -1.331   0.496   0.000  1.00  0.00           O  
HETATM   23  N   UNK A   0      -3.079  -0.179   0.000  1.00  0.00           N  
HETATM   24  C   UNK A   0      -3.899  -0.093   0.000  1.00  0.00           C  
HETATM   25  C   UNK A   0      -4.384  -0.760   0.000  1.00  0.00           C  
HETATM   26  N   UNK A   0      -4.049  -1.514   0.000  1.00  0.00           N  
HETATM   27  C   UNK A   0      -3.228  -1.600   0.000  1.00  0.00           C  
CONECT    1    2   13   16                                            
CONECT    2    1    3   12                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    7   11                                            
CONECT    7    6    8   10                                            
CONECT    8    7                                                      
CONECT    9    4                                                      
CONECT   10    7                                                      
CONECT   11    6   19   20                                            
CONECT   12    2   18                                                 
CONECT   13    1   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15    1                                                 
CONECT   17   14   23   27                                            
CONECT   18   12   21   22                                            
CONECT   19   11                                                      
CONECT   20   11                                                      
CONECT   21   18                                                      
CONECT   22   18                                                      
CONECT   23   17   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   17                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0H0QR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.448   3.800   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.651   3.586   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.437   2.789   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.021   2.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.818   2.419   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.031   3.216   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.401   1.836   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.807   1.409   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.010   1.195   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.797   0.398   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.380  -0.185   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.177   0.029   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.391   0.825   0.000  1.00  0.00           C  
HETATM   14  S   UNL     1       1.167  -0.982   0.000  1.00  0.00           S  
HETATM   15  C   UNL     1       0.953  -1.779   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       1.964  -1.195   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1       0.370  -0.768   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.537  -2.362   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.323  -3.159   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.906  -3.742   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.703  -3.529   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.917  -2.732   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.333  -2.149   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.251  -2.775   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.664  -2.060   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.966  -2.362   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       0.526  -3.372   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -0.057  -2.789   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.854  -3.003   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       0.156  -1.992   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -1.437  -2.419   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.234  -2.633   0.000  1.00  0.00           C  
HETATM   33  S   UNL     1      -2.818  -2.049   0.000  1.00  0.00           S  
HETATM   34  C   UNL     1      -3.401  -1.466   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1      -2.234  -1.466   0.000  1.00  0.00           O  
HETATM   36  O   UNL     1      -3.401  -2.633   0.000  1.00  0.00           O  
HETATM   37  N   UNL     1      -1.068  -3.800   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    4    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15   16   17                                       
CONECT   15   14   18                                                 
CONECT   16   14                                                      
CONECT   17   14                                                      
CONECT   18   15   19   23   24                                       
CONECT   19   18   20   27                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   18   21   25   26                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   19   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28   31   37                                            
CONECT   30   28                                                      
CONECT   31   29   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   35   36                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
CONECT   37   29                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0H0SM
  -OEChem-09301911172D

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  2 35  1  0  0  0  0
  3  4  1  0  0  0  0
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  9 37  2  0  0  0  0
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 14 52  1  0  0  0  0
 14 53  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 18  2  0  0  0  0
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 18 23  1  0  0  0  0
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 19 24  2  0  0  0  0
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 21 22  1  0  0  0  0
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 22 26  1  0  0  0  0
 22 29  2  0  0  0  0
 23 25  2  0  0  0  0
 23 58  1  0  0  0  0
 24 25  1  0  0  0  0
 24 59  1  0  0  0  0
 25 32  1  0  0  0  0
 26 28  1  0  0  0  0
 26 31  2  0  0  0  0
 27 30  1  0  0  0  0
 27 61  1  0  0  0  0
 28 30  2  0  0  0  0
 29 33  1  0  0  0  0
 29 62  1  0  0  0  0
 30 63  1  0  0  0  0
 31 34  1  0  0  0  0
 31 64  1  0  0  0  0
 32 65  1  0  0  0  0
 32 66  1  0  0  0  0
 32 67  1  0  0  0  0
 33 34  2  0  0  0  0
 33 68  1  0  0  0  0
 34 69  1  0  0  0  0
 35 36  1  0  0  0  0
 36 38  2  0  0  0  0
 36 70  1  0  0  0  0
 38 71  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 40 42  1  0  0  0  0
 40 73  1  0  0  0  0
 41 43  2  0  0  0  0
 41 74  1  0  0  0  0
 42 44  2  0  0  0  0
 42 75  1  0  0  0  0
 43 44  1  0  0  0  0
 43 76  1  0  0  0  0
 44 77  1  0  0  0  0
M  END

$$$$
D0H0UC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.715   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.715  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.000  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.715  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.715   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.000   0.412   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       0.000   1.238   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM    9  F   UNL     1       1.429  -1.238   0.000  1.00  0.00           F  
HETATM   10  O   UNL     1      -1.429  -1.238   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.429   1.238   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    5   11                                                 
CONECT    9    4                                                      
CONECT   10    2                                                      
CONECT   11    8                                                      
MASTER        0    0    0    0    0    0    0    0   11    0   11    0
END
M  END

$$$$
D0H0XC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.253  -0.468   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.253  -1.293   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.539  -1.705   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.824  -1.293   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.824  -0.468   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.539  -0.055   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.539   0.770   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1      -2.968  -1.705   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.110  -1.705   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.605  -1.293   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.319  -1.705   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.034  -1.293   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.748  -1.705   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       3.463  -1.293   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.522  -2.420   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.303  -2.420   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.968  -0.055   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.968   0.770   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.682   1.182   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.397   0.770   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.397  -0.055   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.682  -0.468   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.682   2.007   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.177  -1.705   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.891  -1.293   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       4.891  -0.468   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       4.177  -0.055   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.463  -0.468   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.095  -1.182   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.891  -1.396   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.095  -2.007   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.968   2.420   0.000  1.00  0.00           O  
CONECT    1    2    6   17                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    2                                                      
CONECT    9    4   10   15   16                                       
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   24   28                                            
CONECT   15    9                                                      
CONECT   16    9                                                      
CONECT   17    1   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17   29                                            
CONECT   23   19   32                                                 
CONECT   24   14   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   14                                                 
CONECT   29   22   30   31                                            
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   23                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0H1BQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.654   1.629   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.654   0.804   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.940   0.391   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.225   0.804   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.225   1.629   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.940   2.041   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.369   0.391   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.511   0.391   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.511  -0.434   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.204  -0.846   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.918  -0.434   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.918   0.391   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.204   0.804   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.703  -0.689   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       2.188  -0.021   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.703   0.646   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.013  -0.021   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       3.425  -0.736   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       3.090  -1.489   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.703  -2.041   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.417  -1.629   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.246  -0.822   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.798  -0.209   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       4.543   0.576   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.083   0.804   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.798   0.391   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.798  -0.434   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.083  -0.846   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.369  -0.434   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.083   1.629   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.667  -1.429   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.671  -1.561   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2   25   29                                            
CONECT    8    4    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13   16                                            
CONECT   13   12    8                                                 
CONECT   14   11   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   12                                                 
CONECT   17   15   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   18   23                                            
CONECT   23   22   24                                                 
CONECT   24   23                                                      
CONECT   25    7   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31   32                                       
CONECT   29   28    7                                                 
CONECT   30   25                                                      
CONECT   31   28                                                      
CONECT   32   28                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0H1IX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.802   0.957   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.802   0.132   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.087  -0.281   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.373   0.132   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.373   0.957   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.087   1.369   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.658  -0.281   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.572  -1.101   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1       0.235  -1.273   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.647  -0.558   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.095   0.055   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.185  -1.653   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.970  -1.398   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.583  -1.950   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.412  -2.757   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.627  -3.012   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.014  -2.460   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.468  -0.472   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.953  -1.139   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       1.803   0.282   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.624   0.368   0.000  1.00  0.00           C  
HETATM   22 CL   UNL     1      -0.229  -2.715   0.000  1.00  0.00          Cl  
HETATM   23  O   UNL     1       0.267   0.862   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.317   1.445   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.103   2.242   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.176  -0.245   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.929   0.090   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.843   0.911   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.036   1.082   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.793   2.429   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -1.377   3.012   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.517   1.369   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1      -3.104   2.084   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -2.802   0.957   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -3.929   0.655   0.000  1.00  0.00           F  
CONECT    1    2    6   32                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   18                                            
CONECT   11   10    7   23                                            
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   22                                            
CONECT   18   10   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   21                                                 
CONECT   21   20   26   29                                            
CONECT   22   17                                                      
CONECT   23   11   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   30                                                 
CONECT   26   21   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   21                                                 
CONECT   30   25   31                                                 
CONECT   31   30                                                      
CONECT   32    1   33   34   35                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0H1LQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.511  -0.683   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.511  -1.508   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.797  -1.920   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.082  -1.508   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.082  -0.683   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.797  -0.270   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.298  -1.763   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.187  -1.095   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.298  -0.428   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.187  -2.430   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.972  -2.175   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.972  -1.350   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.710   0.287   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.417  -0.015   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.298   1.001   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.710   1.716   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.535   1.716   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.948   1.001   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.535   0.287   0.000  1.00  0.00           C  
HETATM   20 CL   UNL     1      -1.948   2.430   0.000  1.00  0.00          Cl  
HETATM   21  C   UNL     1       1.214  -0.229   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.226  -0.270   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.226   0.555   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.797   0.355   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       1.583   1.151   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1       2.511  -0.058   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       3.226   0.355   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.226   1.180   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.511  -0.883   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.797  -1.295   0.000  1.00  0.00           C  
CONECT    1    2    6   22                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9   12                                            
CONECT    9    8    5   13   14                                       
CONECT   10    7   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    8                                                 
CONECT   13    9   15   19                                            
CONECT   14    9   21                                                 
CONECT   15   13   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   13                                                 
CONECT   20   17                                                      
CONECT   21   14   24                                                 
CONECT   22    1   23                                                 
CONECT   23   22                                                      
CONECT   24   21   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27                                                      
CONECT   29   26   30                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0H1WN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.262  -1.033   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.262  -1.858   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.548  -2.270   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.833  -1.858   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.833  -1.033   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.548  -0.620   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.977  -0.620   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.691  -1.033   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.691  -1.858   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.977  -2.270   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.548   0.205   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.833   0.617   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.119   0.205   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.596   0.617   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.596   1.442   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.119   1.855   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.833   1.442   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.380   0.362   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.865   1.030   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.380   1.697   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.635   2.482   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.442   2.654   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.083   3.095   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       3.026   2.070   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1      -0.119  -0.620   0.000  1.00  0.00           F  
HETATM   26  O   UNL     1      -4.406  -0.620   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.406  -2.270   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.406   0.205   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.406  -3.095   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.812   1.273   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.395   0.690   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.192   0.903   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.406   1.700   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.822   2.284   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1       4.036   3.081   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1       3.182  -0.107   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   11                                            
CONECT    7    1    8                                                 
CONECT    8    7    9   26                                            
CONECT    9    8   10   27                                            
CONECT   10    9    2                                                 
CONECT   11    6   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   25                                            
CONECT   14   13   15   18                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   14   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20   22   23                                            
CONECT   22   21   24                                                 
CONECT   23   21                                                      
CONECT   24   22   30   34                                            
CONECT   25   13                                                      
CONECT   26    8   28                                                 
CONECT   27    9   29                                                 
CONECT   28   26                                                      
CONECT   29   27                                                      
CONECT   30   24   31                                                 
CONECT   31   30   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   24   35                                            
CONECT   35   34                                                      
CONECT   36   31                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0H2BU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.073   2.212   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.502  -0.263   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.787   0.150   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.073  -0.263   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.358   0.150   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.358   0.975   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.073   1.387   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.787   0.975   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.356  -0.263   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.356  -1.088   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.070  -1.500   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.785  -1.088   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.785  -0.263   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.070   0.150   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       2.499   0.150   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.214  -0.263   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.928   0.150   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.928   0.975   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.214   1.387   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.499   0.975   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.216   0.150   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.931  -0.263   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.931  -1.088   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.216  -1.500   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.502  -1.088   0.000  1.00  0.00           C  
HETATM   26  S   UNL     1       4.643  -0.263   0.000  1.00  0.00           S  
HETATM   27  N   UNL     1       5.357  -0.675   0.000  1.00  0.00           N  
HETATM   28  O   UNL     1       4.643  -1.088   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1       5.226   0.321   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -4.645  -1.500   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -5.056  -0.788   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -5.357  -1.911   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -4.234  -2.212   0.000  1.00  0.00           F  
CONECT    1    7                                                      
CONECT    2    3   21   25                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    7                                                 
CONECT    7    1    6    8                                            
CONECT    8    7    3                                                 
CONECT    9    5   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13    9                                                 
CONECT   15   13   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   26                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21    2   22                                                 
CONECT   22   21   23                                                 
CONECT   23   30   22   24                                            
CONECT   24   23   25                                                 
CONECT   25   24    2                                                 
CONECT   26   17   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30   31   32   33   23                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0H2DL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.156   0.392   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.442   0.804   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.727   0.392   0.000  1.00  0.00           C  
HETATM    4  O   UNL     1       1.442   1.629   0.000  1.00  0.00           O  
HETATM    5  S   UNL     1       0.013   0.804   0.000  1.00  0.00           S  
HETATM    6  C   UNL     1      -0.702   0.392   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.455   0.727   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -2.007   0.114   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -1.595  -0.600   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -0.788  -0.429   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.828   0.201   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.163   0.954   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.984   1.040   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.469   0.373   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.133  -0.381   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.313  -0.467   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.618  -1.048   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -5.439  -0.962   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -5.774  -0.208   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -5.923  -1.629   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       2.243  -0.429   0.000  1.00  0.00           O  
HETATM   22  N   UNL     1       3.050  -0.600   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.462   0.114   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.910   0.727   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.282   0.201   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.767  -0.467   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       5.588  -0.381   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.923   0.373   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.439   1.040   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.618   0.954   0.000  1.00  0.00           C  
CONECT    1    2   21   24                                            
CONECT    2    1    3    4                                            
CONECT    3    2    5                                                 
CONECT    4    2                                                      
CONECT    5    3    6                                                 
CONECT    6    5    7   10                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    6                                                 
CONECT   11    8   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   11                                                 
CONECT   17   15   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21    1   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23    1                                                 
CONECT   25   23   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0H2GT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.047   0.854   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.047   0.029   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.333  -0.384   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.618   0.029   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.618   0.854   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.333   1.266   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.096  -0.384   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.182  -1.204   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1       0.989  -1.376   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1       1.402  -0.661   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.850  -0.048   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.431  -1.756   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.215  -1.501   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.829  -2.053   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.657  -2.860   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.872  -3.115   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.259  -2.563   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.762   1.266   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.476   0.854   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.191   1.266   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.905   0.854   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.620   1.266   0.000  1.00  0.00           O  
HETATM   23 CL   UNL     1       0.525  -2.818   0.000  1.00  0.00          Cl  
HETATM   24  C   UNL     1       2.222  -0.575   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       2.707  -1.242   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1       2.558   0.179   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       3.378   0.265   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.714   1.019   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.229   1.686   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.409   1.600   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.073   0.846   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.817   2.401   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       3.229   3.115   0.000  1.00  0.00           N  
HETATM   34  O   UNL     1       1.992   2.401   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       4.026   1.900   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.609   1.316   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       5.406   1.530   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       5.620   2.327   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       5.036   2.910   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       4.239   2.697   0.000  1.00  0.00           C  
CONECT    1    2    6   18                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   24                                            
CONECT   11   10    7                                                 
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   23                                            
CONECT   18    1   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21                                                      
CONECT   23   17                                                      
CONECT   24   10   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32   35                                       
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   29   33   34                                            
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   29   36   40                                            
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   35                                                 
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0H2KL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.458  -1.203   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.173  -1.616   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.001  -2.423   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.181  -2.509   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.845  -1.755   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.458  -0.378   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.255  -0.592   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.871   0.336   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.744   0.034   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.029  -0.378   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.744   0.859   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.315   0.034   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.400  -0.378   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.400  -1.203   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.114  -1.616   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.829  -1.203   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.829  -0.378   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.114   0.034   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.315   0.859   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.029   1.272   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.029   2.097   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.744   2.509   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.458   2.097   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.458   1.272   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       1.114   0.859   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       0.402   1.270   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.543  -1.616   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1       2.132  -2.328   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1       3.255  -2.027   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1       2.954  -0.904   0.000  1.00  0.00           F  
HETATM   31  C   UNL     1      -0.315  -1.616   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1      -0.726  -0.904   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -1.027  -2.027   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       0.096  -2.328   0.000  1.00  0.00           F  
CONECT    1    2    5    6                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    1                                                 
CONECT    6    1    7    8    9                                       
CONECT    7    6                                                      
CONECT    8    6                                                      
CONECT    9    6   10   11                                            
CONECT   10    9   12                                                 
CONECT   11    9   20   24                                            
CONECT   12   10   13   19                                            
CONECT   13   12   14   18                                            
CONECT   14   31   13   15                                            
CONECT   15   14   16                                                 
CONECT   16   27   15   17                                            
CONECT   17   16   18                                                 
CONECT   18   25   17   13                                            
CONECT   19   12                                                      
CONECT   20   11   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   11                                                 
CONECT   25   26   18                                                 
CONECT   26   25                                                      
CONECT   27   28   29   30   16                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
CONECT   31   32   33   34   14                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0H2LD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.574  -0.674   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.574  -1.499   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.859  -1.911   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.145  -1.499   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.145  -0.674   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.859  -0.261   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.430  -0.261   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.716  -0.674   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.001  -0.261   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.001   0.564   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.716   0.976   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.430   0.564   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.713  -0.674   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.713  -1.499   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.428  -1.911   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.142  -1.499   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.142  -0.674   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.428  -0.261   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.857  -0.261   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.571  -0.674   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       4.286  -0.261   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       4.286   0.564   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.571   0.976   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.857   0.564   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       5.000   0.976   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.288  -1.911   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -4.699  -1.199   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -5.000  -2.322   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -3.877  -2.623   0.000  1.00  0.00           F  
HETATM   30  C   UNL     1      -0.716   1.801   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       0.106   1.801   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -0.716   2.623   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -1.538   1.801   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2   26    1    3                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   30   10   12                                            
CONECT   12   11    7                                                 
CONECT   13    9   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   13                                                 
CONECT   19   17   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22                                                      
CONECT   26   27   28   29    2                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30   31   32   33   11                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0H2RG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.224   2.374   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.224   1.549   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.510   1.137   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.204   1.549   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.204   2.374   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.510   2.787   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.989   1.294   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.474   1.962   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.989   2.629   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.939   1.137   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.244   3.414   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       2.299   1.962   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       1.244   0.509   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.051   0.338   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       2.603   0.951   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       2.306  -0.447   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.754  -1.060   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.113  -0.618   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.009  -1.844   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.368  -1.403   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.457  -2.458   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.712  -3.242   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.519  -3.414   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.071  -2.800   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.816  -2.016   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.653   1.549   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.368   1.137   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.368   0.312   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.653  -0.101   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.939   0.312   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   13                                            
CONECT    8    7    9   12                                            
CONECT    9    8    5   11                                            
CONECT   10    2   26   30                                            
CONECT   11    9                                                      
CONECT   12    8                                                      
CONECT   13    7   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17   18                                            
CONECT   17   16   19                                                 
CONECT   18   16   20                                                 
CONECT   19   17   21   25                                            
CONECT   20   18                                                      
CONECT   21   19   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   19                                                 
CONECT   26   10   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   10                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0H2SE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215   0.825   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -4.644   0.825   0.000  1.00  0.00          Cl  
HETATM    8 CL   UNL     1      -3.215  -1.650   0.000  1.00  0.00          Cl  
HETATM    9  C   UNL     1      -1.786   0.825   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.072   0.412   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -1.786   1.650   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.357   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.357   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.072   0.825   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       1.786   0.412   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.786  -0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.501   0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.215   0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.215  -0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.930  -0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.644  -0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.644   0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.930   0.825   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    3                                                      
CONECT    9    5   10   11                                            
CONECT   10    9   12                                                 
CONECT   11    9                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0H2WY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287  -1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287  -2.062   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.572  -2.475   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.858  -2.062   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858  -1.238   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.572  -0.825   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -5.001  -0.825   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.001   0.000   0.000  1.00  0.00           O  
HETATM    9  N   UNL     1      -5.716  -1.238   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -5.001  -2.475   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.143  -2.475   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.143  -0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.429  -1.238   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.715  -0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.715   0.000   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.429   0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.143   0.000   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.000   0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.715   0.000   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.429   1.238   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.715   1.650   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.000   1.238   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.143   1.650   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.858   1.238   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.858   0.412   0.000  1.00  0.00           O  
HETATM   27  N   UNL     1       3.572   1.650   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       4.287   1.238   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.001   1.650   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       5.001   2.475   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       5.716   1.238   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       4.073   0.441   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.500   0.441   0.000  1.00  0.00           C  
HETATM   34 CL   UNL     1      -0.715   1.650   0.000  1.00  0.00          Cl  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   11                                            
CONECT    5    4    6   12                                            
CONECT    6    5    1                                                 
CONECT    7    1    8    9                                            
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    2                                                      
CONECT   11    4                                                      
CONECT   12    5   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18   34                                            
CONECT   24   21   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25                                                      
CONECT   27   25   28                                                 
CONECT   28   27   29   32   33                                       
CONECT   29   28   30   31                                            
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   28                                                      
CONECT   33   28                                                      
CONECT   34   23                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0H3KF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.507  -3.220   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.507  -2.395   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.840  -1.911   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.095  -1.126   0.000  1.00  0.00           N  
HETATM    5  N   UNL     1      -2.920  -1.126   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.175  -1.911   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.610  -0.459   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.795  -0.329   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.924   0.485   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.739   0.356   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.026  -1.042   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.201  -1.042   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.624  -1.042   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.439   1.153   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.175  -3.705   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.920  -4.490   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1      -2.095  -4.490   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.840  -3.705   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.055  -3.450   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.959  -3.450   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.381   1.067   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.866   1.734   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.531   2.488   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.290   2.574   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.775   1.907   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.016   3.155   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -1.595   1.993   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       1.687   1.648   0.000  1.00  0.00           F  
HETATM   29  N   UNL     1       1.836   3.069   0.000  1.00  0.00           N  
HETATM   30  O   UNL     1       0.680   3.909   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       2.321   3.736   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.986   4.490   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.142   3.650   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1       3.056   2.832   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1       3.959   3.564   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1       3.228   4.468   0.000  1.00  0.00           F  
CONECT    1    2   15   18                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    2                                                 
CONECT    7    4    8   10   11                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9    7                                                 
CONECT   11    7   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12                                                      
CONECT   14    9   21   25                                            
CONECT   15    1   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17    1   19                                            
CONECT   19   18                                                      
CONECT   20   15                                                      
CONECT   21   14   22                                                 
CONECT   22   21   23   28                                            
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   14   27                                            
CONECT   26   23   29   30                                            
CONECT   27   25                                                      
CONECT   28   22                                                      
CONECT   29   26   31                                                 
CONECT   30   26                                                      
CONECT   31   33   29   32                                            
CONECT   32   31                                                      
CONECT   33   34   35   36   31                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0H3NO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.764  -3.098   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.764  -3.923   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.049  -4.336   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.335  -3.923   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.335  -3.098   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.049  -2.686   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.620  -4.336   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.094  -3.923   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.094  -3.098   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.620  -2.686   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.620  -1.861   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.094  -1.448   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.094  -0.623   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.809  -0.211   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.809   0.614   0.000  1.00  0.00           C  
HETATM   16  CA  UNL     1       1.476   1.099   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.221   1.884   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.396   1.884   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.141   1.099   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.156   2.497   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.963   2.325   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.218   1.541   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.666   0.927   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.515   2.938   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.261   0.844   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.874   1.396   0.000  1.00  0.00           O  
HETATM   27  OXT UNL     1       2.432   0.037   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.260   3.723   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.812   4.336   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.619   4.164   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.874   3.380   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.322   2.767   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17   25                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   15   23                                            
CONECT   20   18   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   19                                                 
CONECT   24   21   28   32                                            
CONECT   25   16   26   27                                            
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   24   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   24                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0H3VI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.429   2.269   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.429   1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.143   1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.858   1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.858   2.269   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.143   2.681   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.143   0.206   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.429  -0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.429  -1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.143  -1.444   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.858  -1.031   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.858  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.715  -1.444   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       0.715  -2.269   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1       0.000  -1.031   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1       2.143  -2.269   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.715  -1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.429  -1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.143  -1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.143  -2.269   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.429  -2.681   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.715  -2.269   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.429  -0.206   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.715   0.206   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.715   1.031   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.429   1.444   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.143   1.031   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.429   2.269   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.858   1.444   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       0.111   1.031   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.302   1.746   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11   16                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    9   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   17                                                 
CONECT   16   10                                                      
CONECT   17   15   18   22                                            
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   18   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   31   32                                       
CONECT   26   25   27   29                                            
CONECT   27   26   28   30                                            
CONECT   28   27   23                                                 
CONECT   29   26                                                      
CONECT   30   27                                                      
CONECT   31   25   32                                                 
CONECT   32   31   25                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0H3YG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.292   2.247   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.292   1.425   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.580   1.014   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.868   1.425   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.868   2.247   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.580   2.658   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.156   1.014   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.444   1.425   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.444   2.247   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.156   2.658   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.732   1.014   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.020   1.425   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.020   2.247   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.732   2.658   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.156   0.192   0.000  1.00  0.00           N  
HETATM   16 XX   UNL     1      -2.444  -0.219   0.000  1.00  0.00          Xx  
HETATM   17  N   UNL     1      -1.732   0.192   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.020  -0.219   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.308   0.192   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       0.404  -0.219   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.020  -1.041   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       0.404  -1.041   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.116  -1.452   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.828  -1.041   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.828  -0.219   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.116   0.192   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       2.610  -1.295   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       3.094  -0.630   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.610   0.035   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       3.875  -0.376   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       3.875   0.446   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.094   0.700   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.864  -2.077   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.283  -2.658   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1       3.658  -2.290   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1       4.540  -0.859   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.455  -1.677   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1       5.292  -0.525   0.000  1.00  0.00           O  
HETATM   39  O   UNL     1       2.127   0.700   0.000  1.00  0.00           O  
HETATM   40  H   UNL     1       3.577  -1.295   0.000  1.00  0.00           H  
HETATM   41  C   UNL     1       2.461   1.451   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       1.978   2.116   0.000  1.00  0.00           C  
HETATM   43  O   UNL     1       3.279   1.537   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   15                                            
CONECT    8    7    9   11                                            
CONECT    9    8   10   14                                            
CONECT   10    9    5                                                 
CONECT   11    8   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    7   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   22   26                                            
CONECT   21   18                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26   29                                            
CONECT   26   25   20                                                 
CONECT   27   24   28   33                                            
CONECT   28   27   29   30   40                                       
CONECT   29   28   25   32   39                                       
CONECT   30   28   31   36                                            
CONECT   31   30   32                                                 
CONECT   32   31   29                                                 
CONECT   33   27   34   35                                            
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   30   37   38                                            
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   29   41                                                 
CONECT   40   28                                                      
CONECT   41   39   42   43                                            
CONECT   42   41                                                      
CONECT   43   41                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
M  END

$$$$
D0H3ZG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.491  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.491  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.776  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.062  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.062  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.776   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.205   0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.653   0.206   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.367  -0.206   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1       0.653   1.031   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       2.082   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.796  -0.206   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       3.511   0.206   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       3.511   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.796   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.082   1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.796  -1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.082  -1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.082  -2.269   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.796  -2.681   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.511  -2.269   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.511  -1.444   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.291   1.027   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1      -3.098   1.198   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.511   0.484   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.959  -0.129   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.434   1.952   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.796   2.269   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       2.082   2.681   0.000  1.00  0.00           O  
HETATM   30  N   UNL     1       3.511   2.681   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.205  -1.444   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1      -1.793  -2.158   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -2.920  -1.856   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -2.618  -0.729   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3   31                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    1   23   26                                            
CONECT    8    5    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9   12   16                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   28                                            
CONECT   16   15   11                                                 
CONECT   17   12   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23    7   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25    7                                                 
CONECT   27   24                                                      
CONECT   28   15   29   30                                            
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31    2   32   33   34                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END

$$$$

$$$$

$$$$
D0H3ZZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -1.706   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -2.530   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.786  -2.943   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.072  -2.530   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072  -1.706   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786  -1.293   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.786  -0.468   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.072  -0.056   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.072   0.769   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.786   1.182   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.501   0.769   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.501  -0.056   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.786   2.007   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.501   2.420   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.072   2.420   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.357   2.007   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.357   2.420   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.072   3.244   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.072   2.007   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.786   2.420   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.786   3.244   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.072   3.657   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.357   3.244   0.000  1.00  0.00           C  
HETATM   24 CL   UNL     1       2.501   3.657   0.000  1.00  0.00          Cl  
HETATM   25  C   UNL     1      -0.357  -2.943   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1      -0.769  -3.657   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1       0.357  -3.355   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       0.055  -2.229   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   25                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   19   23                                            
CONECT   18   15                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   17                                                 
CONECT   24   21                                                      
CONECT   25   26   27   28    4                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0H4HD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.439   0.236   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.439  -0.589   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.725  -1.001   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.010  -0.589   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.010   0.236   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.725   0.649   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.725   1.474   0.000  1.00  0.00           N  
HETATM    8  H   UNL     1      -2.439   1.886   0.000  1.00  0.00           H  
HETATM    9  C   UNL     1      -1.010   1.886   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.296   1.474   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.419   1.886   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.419   2.711   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.296   3.124   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.010   2.711   0.000  1.00  0.00           N  
HETATM   15  N   UNL     1       1.133   1.474   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.220   0.653   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.026   0.482   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.439   1.196   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1       1.887   1.810   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       0.667   0.040   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.922  -0.744   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.729  -0.916   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.281  -0.303   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.725  -1.826   0.000  1.00  0.00           N  
HETATM   25  S   UNL     1      -1.141  -2.409   0.000  1.00  0.00           S  
HETATM   26  C   UNL     1      -1.554  -3.124   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.558  -1.826   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.558  -2.993   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   24                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8    9                                            
CONECT    8    7                                                      
CONECT    9    7   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   11   16   19                                            
CONECT   16   15   17   20                                            
CONECT   17   16   18   23                                            
CONECT   18   17   19                                                 
CONECT   19   18   15                                                 
CONECT   20   16   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   17                                                 
CONECT   24    3   25                                                 
CONECT   25   24   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0H4HR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143  -0.021   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -0.846   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -1.259   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715  -0.846   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715  -0.021   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429   0.391   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.257  -2.066   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.437  -2.152   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.101  -1.398   0.000  1.00  0.00           C  
HETATM   10 BR   UNL     1      -2.858  -1.259   0.000  1.00  0.00          Br  
HETATM   11  C   UNL     1      -0.024  -2.866   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.387  -2.109   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.429   1.216   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.715   1.629   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1      -2.143   1.629   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       0.000   1.216   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.715   1.629   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.429   1.216   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.143   1.629   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.143   2.454   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.429   2.866   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.715   2.454   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.000   2.866   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.858   2.866   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       1.429   0.391   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   13                                            
CONECT    7    3    8                                                 
CONECT    8    7    9   11   12                                       
CONECT    9    8    4                                                 
CONECT   10    2                                                      
CONECT   11    8                                                      
CONECT   12    8                                                      
CONECT   13    6   14   15                                            
CONECT   14   13   16                                                 
CONECT   15   13                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19   25                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   17   23                                            
CONECT   23   22                                                      
CONECT   24   20                                                      
CONECT   25   18                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0H4IY
  -OEChem-09301911272D

 46 49  0     1  0  0  0  0  0999 V2000
    8.7839    0.0166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8871    1.7766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5052    1.7766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962    3.3644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2451    0.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2669    0.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5760   -0.2266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.8256    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1962   -0.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    0.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962    2.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4562    2.0856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2126    1.1357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2886    1.3441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6530    0.6382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0285   -0.5177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9577   -0.7151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -0.3644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.3644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6478    1.4960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0459    2.2772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2646    2.6753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.9844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1592    3.6744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2331    3.6744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.7944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.4844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.2944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.4844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.6375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.4844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.7114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 22  1  0  0  0  0
  2 25  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  2  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 15  1  0  0  0  0
  5 12  1  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 16  2  0  0  0  0
 13 31  1  0  0  0  0
 14 17  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 17 36  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 40  1  0  0  0  0
 21 23  2  0  0  0  0
 21 41  1  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
M  END

$$$$
D0H4LG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -1.650   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.429  -2.062   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.714  -1.650   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.714  -0.825   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.070  -1.905   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.555  -1.238   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.070  -0.570   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.858  -2.062   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.429   0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.714   0.825   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.714   1.650   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.429   2.062   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.143   1.650   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.143   0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.000   2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.714   1.650   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.714   0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.143   0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.143   1.650   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.429   2.062   0.000  1.00  0.00           C  
HETATM   24  F   UNL     1       2.858   2.062   0.000  1.00  0.00           F  
HETATM   25 CL   UNL     1       2.858   0.412   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    2                                                      
CONECT   11    6   16   12                                            
CONECT   12   13   11                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   13   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23   24                                            
CONECT   23   22   18                                                 
CONECT   24   22                                                      
CONECT   25   21                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0H4LK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.008  -0.084   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.008  -0.908   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.294  -1.321   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.579  -0.908   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.579  -0.084   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.294   0.329   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.865   0.329   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.111  -0.007   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.441   0.607   0.000  1.00  0.00           C  
HETATM   10  S   UNL     1       0.028   1.321   0.000  1.00  0.00           S  
HETATM   11  C   UNL     1      -0.779   1.149   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.723  -1.321   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.865  -1.321   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1       1.261   0.520   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.597  -0.233   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.417  -0.320   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.902   0.348   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       2.567   1.101   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.746   1.188   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.723   0.262   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   12                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10    7                                                 
CONECT   12    2                                                      
CONECT   13    4                                                      
CONECT   14    9   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0H4SE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.857  -0.207   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.857   1.443   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.429  -0.207   0.000  1.00  0.00           N  
HETATM    8  S   UNL     1      -0.714   0.206   0.000  1.00  0.00           S  
HETATM    9  C   UNL     1      -0.714   1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.429   1.443   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.429   2.268   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       0.083   0.419   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.501  -0.591   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.429  -1.032   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.000   1.443   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.715   1.031   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       0.000   2.268   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.429   1.443   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.144   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.858   1.443   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.858   2.268   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.144   2.681   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.429   2.268   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.143  -1.444   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.857  -1.032   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.572  -1.444   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.572  -2.269   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.857  -2.682   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.143  -2.269   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1      -4.287  -2.682   0.000  1.00  0.00           F  
HETATM   31  O   UNL     1       3.572   2.682   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       4.287   2.269   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   14                                            
CONECT    8    7    9   12   13                                       
CONECT    9    8   10   15                                            
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    8                                                      
CONECT   13    8                                                      
CONECT   14    7   24                                                 
CONECT   15    9   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   31                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   14   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27                                                      
CONECT   31   21   32                                                 
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0H4TR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429   1.422   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.429   0.597   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.715   0.185   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000   0.597   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.000   1.422   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.715   1.835   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.143   0.185   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.858   0.597   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.858   1.422   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.572   1.835   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.287   1.422   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.287   0.597   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.572   0.185   0.000  1.00  0.00           C  
HETATM   14 CL   UNL     1      -3.572  -0.640   0.000  1.00  0.00          Cl  
HETATM   15 CL   UNL     1      -2.186   1.878   0.000  1.00  0.00          Cl  
HETATM   16  C   UNL     1       0.715   0.185   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.429   0.597   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       0.715  -0.640   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.143   0.185   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.143  -0.640   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.858  -1.053   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.572  -0.640   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.572   0.185   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.858   0.597   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.287  -1.053   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.143  -0.640   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.429  -1.053   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.715  -0.640   0.000  1.00  0.00           N  
HETATM   29  H   UNL     1      -5.001   1.835   0.000  1.00  0.00           H  
HETATM   30  O   UNL     1      -1.429  -1.878   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       0.000  -1.053   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1       5.001  -1.465   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       4.699  -0.338   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       3.874  -1.767   0.000  1.00  0.00           F  
CONECT    1    2    6   15                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8   26                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   29                                            
CONECT   12   11   13                                                 
CONECT   13   12    8   14                                            
CONECT   14   13                                                      
CONECT   15    1                                                      
CONECT   16    4   17   18                                            
CONECT   17   16   19                                                 
CONECT   18   16                                                      
CONECT   19   17   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22   32   33   34                                       
CONECT   26    7   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   31                                                 
CONECT   29   11                                                      
CONECT   30   27                                                      
CONECT   31   28                                                      
CONECT   32   25                                                      
CONECT   33   25                                                      
CONECT   34   25                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0H4WT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -8.216  -0.566   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -7.502  -0.979   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.787  -0.566   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -6.073  -0.979   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.359  -0.566   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.644  -0.979   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.930  -0.566   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.215  -0.979   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.501  -0.566   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.786  -0.979   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.072  -0.566   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.357  -0.979   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.357  -0.566   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.072  -0.979   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.786  -0.566   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.501  -0.979   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.215  -0.566   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.930  -0.979   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       4.644  -0.566   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       5.359  -0.979   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       6.073  -0.566   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       6.787  -0.979   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       7.502  -0.566   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       8.216  -0.979   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       8.931  -0.566   0.000  1.00  0.00           N  
HETATM   26  O   UNL     1      -6.787   0.259   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.644  -1.804   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.215  -1.804   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.502  -1.804   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.501   0.259   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -1.072   0.259   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1      -0.357  -1.804   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       1.072  -1.804   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       1.786   0.259   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       3.215   0.259   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1       3.930  -1.804   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1       5.359  -1.804   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1       6.073   0.259   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1       7.502   0.259   0.000  1.00  0.00           C  
HETATM   40  O   UNL     1       8.216  -1.804   0.000  1.00  0.00           O  
HETATM   41  C   UNL     1       8.085   0.842   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       8.085   1.667   0.000  1.00  0.00           C  
HETATM   43  O   UNL     1       7.288   1.881   0.000  1.00  0.00           O  
HETATM   44  N   UNL     1       8.740   2.169   0.000  1.00  0.00           N  
HETATM   45  C   UNL     1       6.073  -2.216   0.000  1.00  0.00           C  
HETATM   46  O   UNL     1       6.870  -2.003   0.000  1.00  0.00           O  
HETATM   47  O   UNL     1       6.073  -3.041   0.000  1.00  0.00           O  
HETATM   48  C   UNL     1       3.930   0.671   0.000  1.00  0.00           C  
HETATM   49  C   UNL     1       4.726   0.458   0.000  1.00  0.00           C  
HETATM   50  C   UNL     1       3.930   1.496   0.000  1.00  0.00           C  
HETATM   51  C   UNL     1      -0.357   0.671   0.000  1.00  0.00           C  
HETATM   52  C   UNL     1      -0.357   1.496   0.000  1.00  0.00           C  
HETATM   53  N   UNL     1       0.357   1.909   0.000  1.00  0.00           N  
HETATM   54  C   UNL     1       1.072   1.496   0.000  1.00  0.00           C  
HETATM   55  N   UNL     1       1.786   1.909   0.000  1.00  0.00           N  
HETATM   56  N   UNL     1       1.072   0.671   0.000  1.00  0.00           N  
HETATM   57  C   UNL     1      -6.787  -2.216   0.000  1.00  0.00           C  
HETATM   58  C   UNL     1      -6.787  -3.041   0.000  1.00  0.00           C  
HETATM   59  O   UNL     1      -6.073  -3.454   0.000  1.00  0.00           O  
HETATM   60  O   UNL     1      -7.502  -3.454   0.000  1.00  0.00           O  
HETATM   61  C   UNL     1      -5.359   1.170   0.000  1.00  0.00           C  
HETATM   62  C   UNL     1      -6.073   1.583   0.000  1.00  0.00           C  
HETATM   63  C   UNL     1      -6.073   2.408   0.000  1.00  0.00           C  
HETATM   64  C   UNL     1      -6.787   1.170   0.000  1.00  0.00           C  
HETATM   65  C   UNL     1      -8.216   3.041   0.000  1.00  0.00           C  
HETATM   66  O   UNL     1      -8.931   3.454   0.000  1.00  0.00           O  
HETATM   67  C   UNL     1      -7.502   3.454   0.000  1.00  0.00           C  
HETATM   68  C   UNL     1      -6.787   3.041   0.000  1.00  0.00           C  
HETATM   69  C   UNL     1      -6.073   3.454   0.000  1.00  0.00           C  
HETATM   70  C   UNL     1      -5.359   3.041   0.000  1.00  0.00           C  
HETATM   71  C   UNL     1      -3.930   3.065   0.000  1.00  0.00           C  
CONECT    1    2   65                                                 
CONECT    2    1    3   29                                            
CONECT    3    2    4   26                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   61                                            
CONECT    6    5    7   27                                            
CONECT    7    6    8   71                                            
CONECT    8    7    9   28                                            
CONECT    9    8   10   30                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   31                                            
CONECT   12   11   13   32                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   33                                            
CONECT   15   14   16   34                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   35                                            
CONECT   18   17   19   36                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   37                                            
CONECT   21   20   22   38                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   39                                            
CONECT   24   23   25   40                                            
CONECT   25   24                                                      
CONECT   26    3                                                      
CONECT   27    6                                                      
CONECT   28    8                                                      
CONECT   29    2   57                                                 
CONECT   30    9                                                      
CONECT   31   11   51                                                 
CONECT   32   12                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   17   48                                                 
CONECT   36   18                                                      
CONECT   37   20   45                                                 
CONECT   38   21                                                      
CONECT   39   23   41                                                 
CONECT   40   24                                                      
CONECT   41   39   42                                                 
CONECT   42   41   43   44                                            
CONECT   43   42                                                      
CONECT   44   42                                                      
CONECT   45   37   46   47                                            
CONECT   46   45                                                      
CONECT   47   45                                                      
CONECT   48   35   49   50                                            
CONECT   49   48                                                      
CONECT   50   48                                                      
CONECT   51   31   52                                                 
CONECT   52   51   53                                                 
CONECT   53   52   54                                                 
CONECT   54   53   55   56                                            
CONECT   55   54                                                      
CONECT   56   54                                                      
CONECT   57   29   58                                                 
CONECT   58   57   59   60                                            
CONECT   59   58                                                      
CONECT   60   58                                                      
CONECT   61    5   62                                                 
CONECT   62   61   63   64                                            
CONECT   63   62                                                      
CONECT   64   62                                                      
CONECT   65    1   66   67                                            
CONECT   66   65                                                      
CONECT   67   65   68                                                 
CONECT   68   67   69                                                 
CONECT   69   68   70                                                 
CONECT   70   69   71                                                 
CONECT   71    7   70                                                 
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
M  END

$$$$
D0H5FI
  -OEChem-10191522252D

 62 65  0     1  0  0  0  0  0999 V2000
    2.6266   -0.4978    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9926    0.8682    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9926   -0.8638    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3586    0.5022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5457   -2.9974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9209    2.3336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1276   -3.0779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6067    3.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9639    1.9212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9029   -1.3025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9029    0.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9567    0.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4865   -0.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9567   -0.9978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2136    1.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0907    0.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0907   -1.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5457    2.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4865   -0.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2136   -2.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2246    0.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2246   -0.9978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5672    1.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1921   -2.4593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8564    2.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8994    2.5398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1885    3.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2100    3.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5027   -3.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8599   -1.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4812   -3.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8384   -1.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2530    3.0779    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1491   -2.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4926    0.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5637    4.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2745    2.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4383   -4.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7605    0.9654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5961    1.7454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0907    1.1222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0907   -2.1178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4865   -1.1178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1065   -0.4978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4865    0.1222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6877   -1.3078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3746    1.2062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4631    3.0801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3812    4.2859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7960    3.9518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0887   -3.8712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6673   -1.1256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6739   -4.2053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2525   -1.4597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0604    2.4886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1530    3.8358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7563    4.6178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9744    4.2211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8489   -4.2211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6309   -4.6178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0276   -3.8358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.4882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 35  1  0  0  0  0
  2 35  1  0  0  0  0
  3 35  1  0  0  0  0
  4 21  1  0  0  0  0
  4 35  1  0  0  0  0
  5 20  2  0  0  0  0
  6 26  1  0  0  0  0
 33  6  1  6  0  0  0
  7 34  1  0  0  0  0
  7 38  1  0  0  0  0
  8 37  1  0  0  0  0
  8 62  1  0  0  0  0
  9 37  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 15  1  0  0  0  0
 12 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 21  2  0  0  0  0
 16 41  1  0  0  0  0
 17 22  2  0  0  0  0
 17 42  1  0  0  0  0
 18 23  2  0  0  0  0
 18 25  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 22 46  1  0  0  0  0
 23 26  1  0  0  0  0
 23 47  1  0  0  0  0
 24 29  2  0  0  0  0
 24 30  1  0  0  0  0
 25 27  2  0  0  0  0
 25 48  1  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
 29 31  1  0  0  0  0
 29 51  1  0  0  0  0
 30 32  2  0  0  0  0
 30 52  1  0  0  0  0
 31 34  2  0  0  0  0
 31 53  1  0  0  0  0
 32 34  1  0  0  0  0
 32 54  1  0  0  0  0
 33 36  1  0  0  0  0
 33 37  1  0  0  0  0
 33 55  1  0  0  0  0
 36 56  1  0  0  0  0
 36 57  1  0  0  0  0
 36 58  1  0  0  0  0
 38 59  1  0  0  0  0
 38 60  1  0  0  0  0
 38 61  1  0  0  0  0
M  END

$$$$
D0H5GP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.303   0.955   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.303   0.130   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.017  -0.282   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.732   0.130   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.732   0.955   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.017   1.368   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.446   1.368   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       3.161   0.955   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1       2.446   2.193   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1       3.875   1.368   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1      -0.281   1.539   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.106   1.539   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.689   0.955   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.689   0.130   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.106  -0.453   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.281  -0.453   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.421  -1.215   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.239  -1.323   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.919  -1.870   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.741  -0.668   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.559  -0.776   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.875  -1.538   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.373  -2.193   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.555  -2.085   0.000  1.00  0.00           C  
CONECT    1    6    2   11                                            
CONECT    2    3    1   16                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8                                                      
CONECT   11    1   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15    2                                                 
CONECT   17   15   18   19                                            
CONECT   18   17   20   24                                            
CONECT   19   17                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0H5UL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.962   0.497   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.962  -0.328   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.247  -0.740   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.533  -0.328   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.533   0.497   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.247   0.910   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.818  -0.740   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.104  -0.328   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.104   0.497   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.818   0.910   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.389  -0.740   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.675  -0.328   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1      -1.389  -1.565   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.040  -0.740   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1       0.126  -1.561   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1       0.933  -1.732   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.345  -1.018   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.793  -0.405   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.166  -0.931   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.651  -1.599   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.471  -1.513   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.807  -0.759   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.322  -0.091   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.501  -0.178   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.389   0.910   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.389   1.732   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       3.657   0.662   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       3.174   1.327   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       4.627  -0.673   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       4.962   0.078   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   11                                            
CONECT    9   25    8   10                                            
CONECT   10    9    5                                                 
CONECT   11    8   12   13                                            
CONECT   12   11   14                                                 
CONECT   13   11                                                      
CONECT   14   12   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   14                                                 
CONECT   19   17   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   29   21   23                                            
CONECT   23   27   22   24                                            
CONECT   24   23   19                                                 
CONECT   25   26    9                                                 
CONECT   26   25                                                      
CONECT   27   28   23                                                 
CONECT   28   27                                                      
CONECT   29   30   22                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0H5VO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.869  -0.971   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.869  -1.796   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.584  -2.209   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.298  -1.796   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.298  -0.971   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.584  -0.559   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.943  -2.311   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.748  -2.127   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       4.105  -1.384   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       3.748  -0.641   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       2.943  -0.457   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.760   0.347   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.343   0.931   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.140   0.717   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.723   1.300   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.510   2.097   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.713   2.311   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.129   1.727   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       0.155  -0.559   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.560  -0.971   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.274  -0.559   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.989  -0.971   0.000  1.00  0.00           N  
HETATM   23  S   UNL     1      -2.703  -0.559   0.000  1.00  0.00           S  
HETATM   24  C   UNL     1      -3.418  -0.146   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.291   0.156   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1      -3.116  -1.273   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.504   0.674   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.311   0.846   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1      -4.723   0.131   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.171  -0.482   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.646   1.599   0.000  1.00  0.00           C  
CONECT    1    2    6   19                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    5   12                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19    1   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25   26                                       
CONECT   24   23   27   30                                            
CONECT   25   23                                                      
CONECT   26   23                                                      
CONECT   27   24   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   24                                                 
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0H5WE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143   2.391   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143   1.566   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429   1.154   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.714   1.566   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.714   2.391   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429   2.804   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -1.429   3.629   0.000  1.00  0.00           F  
HETATM    8  C   UNL     1      -1.429   0.329   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.096  -0.156   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.841  -0.941   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.016  -0.941   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.761  -0.156   0.000  1.00  0.00           C  
HETATM   13  S   UNL     1      -2.326  -1.608   0.000  1.00  0.00           S  
HETATM   14  C   UNL     1      -2.739  -2.323   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.559  -2.409   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.731  -3.216   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.016  -3.629   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.403  -3.077   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.484  -3.552   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.018  -1.159   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.634  -2.058   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       0.023   0.099   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       0.636  -0.453   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.421  -0.198   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.034  -0.751   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.863  -1.558   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.476  -2.110   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.260  -1.855   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.432  -1.048   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.819  -0.496   0.000  1.00  0.00           C  
HETATM   31 CL   UNL     1       2.990   0.311   0.000  1.00  0.00          Cl  
HETATM   32  O   UNL     1       1.593   0.608   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       3.873  -2.407   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1       3.323  -3.018   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1       4.484  -2.957   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1       4.424  -1.796   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    9   12    3                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    8   22                                            
CONECT   13   10   14   20   21                                       
CONECT   14   13   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   14                                                 
CONECT   19   16                                                      
CONECT   20   13                                                      
CONECT   21   13                                                      
CONECT   22   12   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   32                                            
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   33   27   29                                            
CONECT   29   28   30                                                 
CONECT   30   29   25   31                                            
CONECT   31   30                                                      
CONECT   32   24                                                      
CONECT   33   34   35   36   28                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0H5XC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572  -0.535   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572   0.290   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.858   0.702   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143   0.290   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143  -0.535   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.858  -0.948   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429  -0.948   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.715  -0.535   0.000  1.00  0.00           C  
HETATM    9  F   UNL     1      -4.287   0.702   0.000  1.00  0.00           F  
HETATM   10  O   UNL     1      -1.429  -1.773   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1       0.000  -0.948   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.715  -0.535   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.715   0.290   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.429  -0.948   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.143  -0.535   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.143   0.290   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.429   0.702   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.715   0.290   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       2.858   0.702   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       2.858   1.527   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.572   1.940   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       4.287   1.527   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.858  -0.948   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.944  -1.768   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.751  -1.940   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       4.164  -1.225   0.000  1.00  0.00           N  
HETATM   27  N   UNL     1       3.612  -0.612   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       3.825   0.185   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   10                                            
CONECT    8    7   11   13                                            
CONECT    9    2                                                      
CONECT   10    7                                                      
CONECT   11    8   12                                                 
CONECT   12   11   14   18                                            
CONECT   13    8                                                      
CONECT   14   12   15                                                 
CONECT   15   14   16   23                                            
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   12                                                 
CONECT   19   16   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21                                                      
CONECT   23   15   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   23   28                                            
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0H6AF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.061   1.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.061   1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.776   0.619   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       2.490   1.031   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.490   1.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.776   2.269   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.776  -0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.061  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.061  -1.444   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.776  -1.856   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.490  -1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.490  -0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.061  -2.269   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.346  -1.856   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       1.061  -3.094   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       2.490  -2.269   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.204  -1.856   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.346   0.619   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.368   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.082   0.619   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.368   1.856   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.836   0.954   0.000  1.00  0.00           C  
HETATM   23  S   UNL     1      -2.388   0.341   0.000  1.00  0.00           S  
HETATM   24  C   UNL     1      -1.976  -0.373   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.169  -0.202   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.311  -1.127   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.118  -1.298   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.204  -2.119   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1      -2.451  -2.454   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -1.899  -1.841   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       1.776   3.094   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   31                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13   16                                       
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   10   17                                                 
CONECT   17   16                                                      
CONECT   18    2   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   22   25                                            
CONECT   21   19                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   20                                                 
CONECT   26   24   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   26                                                 
CONECT   31    6                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END

$$$$

$$$$

$$$$
D0H6AL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNK A   1       0.026  -0.948   0.000  1.00  0.00           C  
HETATM    2  C   UNK A   1       0.741  -0.535   0.000  1.00  0.00           C  
HETATM    3  N   UNK A   1       1.455  -0.948   0.000  1.00  0.00           N  
HETATM    4  C   UNK A   0       2.170  -0.535   0.000  1.00  0.00           C  
HETATM    5  N   UNK A   1       2.884  -0.948   0.000  1.00  0.00           N  
HETATM    6  C   UNK A   1       3.599  -0.535   0.000  1.00  0.00           C  
HETATM    7  C   UNK A   1       4.313  -0.948   0.000  1.00  0.00           C  
HETATM    8  O   UNK A   1       5.027  -0.535   0.000  1.00  0.00           O  
HETATM    9  O   UNK A   0       2.170   0.290   0.000  1.00  0.00           O  
HETATM   10  O   UNK A   1       4.313  -1.773   0.000  1.00  0.00           O  
HETATM   11  C   UNK A   1       3.599   0.290   0.000  1.00  0.00           C  
HETATM   12  C   UNK A   1       4.313   0.702   0.000  1.00  0.00           C  
HETATM   13  C   UNK A   1       4.313   1.527   0.000  1.00  0.00           C  
HETATM   14  N   UNK A   1       5.027   1.940   0.000  1.00  0.00           N  
HETATM   15  O   UNK A   1       3.599   1.940   0.000  1.00  0.00           O  
HETATM   16  C   UNK A   1       0.741   0.290   0.000  1.00  0.00           C  
HETATM   17  O   UNK A   1      -0.728  -0.612   0.000  1.00  0.00           O  
HETATM   18  C   UNK A   1      -1.280  -1.225   0.000  1.00  0.00           C  
HETATM   19  N   UNK A   1      -0.867  -1.940   0.000  1.00  0.00           N  
HETATM   20  N   UNK A   1      -0.060  -1.768   0.000  1.00  0.00           N  
HETATM   21  C   UNK A   1      -2.100  -1.139   0.000  1.00  0.00           C  
HETATM   22  N   UNK A   1      -2.585  -1.806   0.000  1.00  0.00           N  
HETATM   23  C   UNK A   1      -2.436  -0.385   0.000  1.00  0.00           C  
HETATM   24  C   UNK A   1      -3.256  -0.299   0.000  1.00  0.00           C  
HETATM   25  C   UNK A   1      -3.668   0.415   0.000  1.00  0.00           C  
HETATM   26  C   UNK A   1      -4.476   0.244   0.000  1.00  0.00           C  
HETATM   27  N   UNK A   1      -4.562  -0.577   0.000  1.00  0.00           N  
HETATM   28  C   UNK A   1      -3.808  -0.912   0.000  1.00  0.00           C  
HETATM   29  C   UNK A   1      -3.414   1.200   0.000  1.00  0.00           C  
HETATM   30  C   UNK A   1      -3.966   1.813   0.000  1.00  0.00           C  
HETATM   31  C   UNK A   1      -4.773   1.641   0.000  1.00  0.00           C  
HETATM   32  C   UNK A   1      -5.027   0.857   0.000  1.00  0.00           C  
HETATM   33  O   UNK A   1       0.026   0.702   0.000  1.00  0.00           O  
CONECT    1    2   17   20                                            
CONECT    2    1    3   16                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    7   11                                            
CONECT    7    6    8   10                                            
CONECT    8    7                                                      
CONECT    9    4                                                      
CONECT   10    7                                                      
CONECT   11    6   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16    2   33                                                 
CONECT   17    1   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19    1                                                 
CONECT   21   18   22   23                                            
CONECT   22   21                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25   28                                            
CONECT   25   24   26   29                                            
CONECT   26   25   27   32                                            
CONECT   27   26   28                                                 
CONECT   28   27   24                                                 
CONECT   29   25   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   26                                                 
CONECT   33   16                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0H6CX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786   1.389   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786   0.564   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072   0.151   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357   0.564   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357   1.389   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072   1.801   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.501   0.151   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.215   0.564   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.501  -0.674   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.215   1.389   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.930   1.801   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.644   1.389   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.644   0.564   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.930   0.151   0.000  1.00  0.00           C  
HETATM   15 CL   UNL     1      -3.930  -0.674   0.000  1.00  0.00          Cl  
HETATM   16 CL   UNL     1      -2.501   1.801   0.000  1.00  0.00          Cl  
HETATM   17  C   UNL     1       0.357   0.151   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.072   0.564   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       0.357  -0.674   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       1.786   0.151   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.786  -0.674   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.501  -1.087   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.215  -0.674   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.215   0.151   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.501   0.564   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.930  -1.087   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.342  -0.372   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.517  -1.801   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.644  -1.499   0.000  1.00  0.00           C  
CONECT    1    2    6   16                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   17                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8    9                                            
CONECT    8    7   10   14                                            
CONECT    9    7                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    8   15                                            
CONECT   15   14                                                      
CONECT   16    1                                                      
CONECT   17    4   18   19                                            
CONECT   18   17   20                                                 
CONECT   19   17                                                      
CONECT   20   18   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0H6DS
  -OEChem-09301911172D

 46 49  0     0  0  0  0  0  0999 V2000
    3.9639   -5.0429    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101    4.9150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    1.6510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.3485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    1.1515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103   -4.5048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6103    2.8078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    3.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    3.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    3.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9889   -2.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8848   -3.8884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 13  1  0  0  0  0
  2 39  1  0  0  0  0
  3 16  2  0  0  0  0
  4 10  1  0  0  0  0
  4 16  1  0  0  0  0
  4 38  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 20  1  0  0  0  0
  6 25  2  0  0  0  0
  7 21  2  0  0  0  0
  7 25  1  0  0  0  0
  8 21  1  0  0  0  0
  8 44  1  0  0  0  0
  8 45  1  0  0  0  0
  9 26  2  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 11 14  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 15  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
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 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 19 40  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 26  1  0  0  0  0
 23 41  1  0  0  0  0
 24 27  2  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
 27 46  1  0  0  0  0
M  END

$$$$
D0H6LK
  -OEChem-09301911172D

109112  0     1  0  0  0  0  0999 V2000
    7.1962   -7.9050    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
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  7 29  2  0  0  0  0
  8 36  2  0  0  0  0
  9 38  2  0  0  0  0
 10 42  2  0  0  0  0
 11 97  1  0  0  0  0
 12 98  1  0  0  0  0
 13 44  2  0  0  0  0
 15 60  1  0  0  0  0
 15 64  1  0  0  0  0
 16 63  1  0  0  0  0
 16106  1  0  0  0  0
 17 23  1  0  0  0  0
 17 29  1  0  0  0  0
 17 71  1  0  0  0  0
 18 27  1  0  0  0  0
 18 31  1  0  0  0  0
 18 77  1  0  0  0  0
 19 26  1  0  0  0  0
 19 38  1  0  0  0  0
 19 78  1  0  0  0  0
 20 30  1  0  0  0  0
 20 42  1  0  0  0  0
 20 81  1  0  0  0  0
 21 33  1  0  0  0  0
 21 44  1  0  0  0  0
 21 86  1  0  0  0  0
 22 36  1  0  0  0  0
 22 87  1  0  0  0  0
 22 88  1  0  0  0  0
 23 24  1  0  0  0  0
 23 27  1  0  0  0  0
 23 65  1  0  0  0  0
 24 25  1  0  0  0  0
 24 66  1  0  0  0  0
 24 67  1  0  0  0  0
 25 30  1  0  0  0  0
 25 68  1  0  0  0  0
 25 69  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 70  1  0  0  0  0
 28 32  1  0  0  0  0
 28 72  1  0  0  0  0
 28 73  1  0  0  0  0
 30 74  1  0  0  0  0
 30 75  1  0  0  0  0
 31 33  1  0  0  0  0
 31 36  1  0  0  0  0
 31 76  1  0  0  0  0
 32 34  2  0  0  0  0
 32 35  1  0  0  0  0
 33 79  1  0  0  0  0
 33 80  1  0  0  0  0
 34 39  1  0  0  0  0
 34 82  1  0  0  0  0
 35 40  2  0  0  0  0
 35 83  1  0  0  0  0
 37 39  2  0  0  0  0
 37 40  1  0  0  0  0
 37 41  1  0  0  0  0
 38 43  1  0  0  0  0
 39 84  1  0  0  0  0
 40 85  1  0  0  0  0
 42 46  1  0  0  0  0
 43 47  2  0  0  0  0
 43 48  1  0  0  0  0
 44 45  1  0  0  0  0
 45 49  1  0  0  0  0
 45 89  1  0  0  0  0
 45 90  1  0  0  0  0
 46 53  2  0  0  0  0
 46 54  1  0  0  0  0
 47 50  1  0  0  0  0
 47 91  1  0  0  0  0
 48 51  2  0  0  0  0
 48 92  1  0  0  0  0
 49 55  2  0  0  0  0
 49 56  1  0  0  0  0
 50 52  2  0  0  0  0
 51 52  1  0  0  0  0
 51 93  1  0  0  0  0
 52 57  1  0  0  0  0
 53 58  1  0  0  0  0
 53 94  1  0  0  0  0
 54 59  2  0  0  0  0
 54 95  1  0  0  0  0
 55 60  1  0  0  0  0
 55 96  1  0  0  0  0
 56 62  2  0  0  0  0
 56 99  1  0  0  0  0
 57100  1  0  0  0  0
 57101  1  0  0  0  0
 57102  1  0  0  0  0
 58 61  2  0  0  0  0
 59 61  1  0  0  0  0
 59103  1  0  0  0  0
 60 63  2  0  0  0  0
 61104  1  0  0  0  0
 62 63  1  0  0  0  0
 62105  1  0  0  0  0
 64107  1  0  0  0  0
 64108  1  0  0  0  0
 64109  1  0  0  0  0
M  END

$$$$
D0H6QG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.098   0.191   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.885  -0.606   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.088  -0.820   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.504  -0.236   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.718   0.560   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.515   0.774   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.713  -1.555   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.898  -1.426   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.769  -0.611   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.315  -2.009   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.034  -0.236   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.342  -0.686   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.607  -0.311   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.085  -0.761   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.820  -0.386   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.041  -1.584   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.512  -0.835   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.247  -0.461   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.939  -0.910   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.674  -0.536   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.717   0.288   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.025   0.738   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.290   0.363   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       3.068   1.561   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       2.379   2.009   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       4.452   0.663   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       4.495   1.484   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       4.366  -0.985   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       5.098  -0.612   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    4   11                                            
CONECT   10    8                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   17                                                 
CONECT   16   14                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   28   19   21                                            
CONECT   21   26   20   22                                            
CONECT   22   24   21   23                                            
CONECT   23   22   18                                                 
CONECT   24   25   22                                                 
CONECT   25   24                                                      
CONECT   26   27   21                                                 
CONECT   27   26                                                      
CONECT   28   29   20                                                 
CONECT   29   28                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0H6XN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.377   1.914   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.377   1.089   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.663   0.677   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.948   1.089   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.948   1.914   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.663   2.327   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.163   0.834   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -0.679   1.502   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.163   2.169   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.908   0.049   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.908   2.954   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.102   3.125   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.451   2.512   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.257   2.684   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.512   3.468   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.960   4.081   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.153   3.910   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.663   3.152   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.925   2.199   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.592   2.684   0.000  1.00  0.00           N  
HETATM   21  S   UNL     1       2.337   3.468   0.000  1.00  0.00           S  
HETATM   22  C   UNL     1       3.377   2.429   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       2.124   4.265   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       3.134   3.682   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.705  -0.164   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.919  -0.961   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.336  -1.544   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.539  -1.331   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.325  -0.534   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -1.549  -2.341   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.264  -2.754   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.851  -3.468   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.137  -3.056   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.112   0.263   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       0.603  -0.150   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1      -2.065  -4.265   0.000  1.00  0.00           F  
HETATM   37  N   UNL     1       1.317  -0.562   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   18                                            
CONECT    7    4    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   11                                            
CONECT   10    7   25   29   34                                       
CONECT   11    9   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16   21                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    6                                                      
CONECT   19   14   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   15   23   24                                       
CONECT   22   20                                                      
CONECT   23   21                                                      
CONECT   24   21                                                      
CONECT   25   10   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   10                                                 
CONECT   30   27   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   33   36                                            
CONECT   33   32   30                                                 
CONECT   34   10   35                                                 
CONECT   35   34   37                                                 
CONECT   36   32                                                      
CONECT   37   35                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0H7HH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.426   0.442   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.426  -0.383   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.359  -0.638   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.844   0.030   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.359   0.697   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.911  -1.050   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.426  -1.718   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.082  -1.016   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.222   0.660   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.795   1.253   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.795   0.442   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.000   0.224   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.583  -0.359   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.105   2.018   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       1.640   0.243   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       0.572  -1.435   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.397  -1.435   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       2.105  -1.859   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.891  -1.062   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.814  -2.018   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.532  -1.286   0.000  1.00  0.00           C  
CONECT    1    2    5    9                                            
CONECT    2    1    3    6   12                                       
CONECT    3    2    4    8   21                                       
CONECT    4    3    5   15                                            
CONECT    5    4    1                                                 
CONECT    6    2    7                                                 
CONECT    7    6   16                                                 
CONECT    8    3   19                                                 
CONECT    9    1   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11    2   13                                            
CONECT   13   12                                                      
CONECT   14   10                                                      
CONECT   15    4                                                      
CONECT   16   17    7                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18    8                                                 
CONECT   20   17                                                      
CONECT   21    3                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END

$$$$

$$$$
D0H7OC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.203  -1.216   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.203  -2.041   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.488  -2.454   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.774  -2.041   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.774  -1.216   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.488  -0.804   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.060  -0.804   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.345  -1.216   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       0.369  -0.804   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.060   0.021   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.917  -2.454   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.632  -2.041   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.917  -3.279   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.084  -1.216   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.798  -0.804   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.798   0.021   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.084   0.434   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.369   0.021   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.513   0.434   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.227   0.021   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.942   0.434   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.942   1.259   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.227   1.671   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.513   1.259   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.555   1.811   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.219   2.564   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       3.399   2.478   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       4.632   3.279   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8   14   18                                            
CONECT   10    7                                                      
CONECT   11    2   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14    9   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17    9                                                 
CONECT   19   16   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24   27                                            
CONECT   24   23   19                                                 
CONECT   25   22   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   23                                                 
CONECT   28   26                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0H7SO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.418   1.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.418   1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.133   0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.847   1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.847   1.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.133   2.269   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.133   3.094   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1       2.133  -0.206   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1       0.704   0.619   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.011   1.031   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.011   1.856   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.725   0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.479   0.954   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.031   0.341   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.618  -0.373   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.811  -0.202   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.954  -1.127   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.761  -1.298   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.847  -2.119   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1      -2.094  -2.454   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.542  -1.841   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.418  -0.619   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.418  -1.444   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.133  -1.856   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.847  -1.444   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.847  -0.619   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.133  -2.681   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       1.418  -3.094   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3    9                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    3   22   26                                            
CONECT    9    2   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   12                                                 
CONECT   17   15   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   17                                                 
CONECT   22    8   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25    8                                                 
CONECT   27   24   28                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END

$$$$

$$$$

$$$$
D0H8IH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.776   0.702   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.491   1.114   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.205   0.702   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.205  -0.123   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.491  -0.536   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.776  -0.123   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.920   1.114   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.920   1.939   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.062  -0.536   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.653  -0.123   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.367  -0.536   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.082  -0.123   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.796  -0.536   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.511  -0.123   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.511   0.702   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.796   1.114   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.082   0.702   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       0.653   0.702   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.920  -0.536   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.673  -0.200   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.225  -0.813   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.813  -1.528   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1      -3.006  -1.356   0.000  1.00  0.00           N  
HETATM   24 BR   UNL     1      -3.887   0.597   0.000  1.00  0.00          Br  
HETATM   25  C   UNL     1      -2.422  -1.939   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1       4.225   1.114   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1       2.796  -1.361   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   19                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    9                                            
CONECT    7    3    8                                                 
CONECT    8    7                                                      
CONECT    9    6   10                                                 
CONECT   10    9   11   18                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   27                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   26                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   10                                                      
CONECT   19    4   20   23                                            
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   19   25                                            
CONECT   24   20                                                      
CONECT   25   23                                                      
CONECT   26   15                                                      
CONECT   27   13                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0H8LZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.858   0.412   0.000  1.00  0.00           C  
HETATM    2  B   UNL     1       3.572   0.825   0.000  1.00  0.00           B  
HETATM    3  O   UNL     1       3.572   1.650   0.000  1.00  0.00           O  
HETATM    4  O   UNL     1       4.287   0.412   0.000  1.00  0.00           O  
HETATM    5  C   UNL     1       2.143   0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.429  -0.412   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.143  -0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.858  -0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.714  -0.825   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.714  -0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.143  -0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.858  -0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.858   0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.572   0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.287   0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.287  -0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.572  -0.825   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       0.714  -1.650   0.000  1.00  0.00           O  
CONECT    1    2    5    9                                            
CONECT    2    1    3    4                                            
CONECT    3    2                                                      
CONECT    4    2                                                      
CONECT    5    1    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    1                                                 
CONECT   10    7   11   21                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   10                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0H8VN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.572  -2.681   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.572  -3.506   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.858  -3.919   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143  -3.506   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143  -2.681   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.858  -2.269   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.858  -1.444   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.287  -3.919   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.429  -3.919   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.429  -2.269   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.429  -1.444   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.715  -1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.715  -0.206   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       0.000  -1.444   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       0.000   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.000   1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.715   1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.429   1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.429   0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.715   1.444   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.143   1.444   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.858   1.031   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.143   2.269   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.429   2.681   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.429   3.506   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.143   3.919   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.858   3.506   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.858   2.681   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.572   1.444   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.429   1.856   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.143   2.269   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.858   1.856   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.572   2.269   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       3.572   3.094   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       2.858   3.506   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.143   3.094   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.287   3.506   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    2                                                      
CONECT    9    4                                                      
CONECT   10    5   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   15   19                                            
CONECT   14   12                                                      
CONECT   15   13   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   13                                                 
CONECT   20   16   30                                                 
CONECT   21   18   22   23                                            
CONECT   22   21   29                                                 
CONECT   23   21   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   22                                                      
CONECT   30   20   31                                                 
CONECT   31   30   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   37                                            
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0H8XH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.777   2.171   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.777   1.345   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.562   1.091   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.047   1.758   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.562   2.425   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.063   2.583   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.651   2.171   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.651   1.345   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.063   0.933   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -1.366   0.933   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.120   1.268   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.672   0.655   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.259  -0.059   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.452   0.113   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.839  -0.440   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.252  -1.154   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.839  -1.869   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.014  -1.869   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.399  -1.154   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.014  -0.440   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.817   0.306   0.000  1.00  0.00           C  
HETATM   22  F   UNL     1      -1.252  -2.583   0.000  1.00  0.00           F  
HETATM   23  O   UNL     1       1.265  -0.307   0.000  1.00  0.00           O  
HETATM   24  N   UNL     1       2.624   0.134   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       2.879  -0.650   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.708  -1.457   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.492  -1.202   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.492   0.742   0.000  1.00  0.00           O  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   21                                            
CONECT    4    3    5                                                 
CONECT    5    4    1                                                 
CONECT    6    1    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   28                                            
CONECT   13   12   14                                                 
CONECT   14   13   10   15                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21    3   23   24                                            
CONECT   22   17                                                      
CONECT   23   21                                                      
CONECT   24   21   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   27                                                 
CONECT   27   26   25                                                 
CONECT   28   12                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0H9AU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.593   1.457   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.593   0.632   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.878   0.219   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.164   0.632   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.164   1.457   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.878   1.869   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -4.307   1.869   0.000  1.00  0.00          Cl  
HETATM    8  N   UNL     1      -1.519   0.117   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.715   0.301   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.357   1.044   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.715   1.788   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.519   1.971   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.461   1.155   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.608   1.967   0.000  1.00  0.00           N  
HETATM   15  N   UNL     1      -0.118   2.358   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.118   3.183   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.519  -0.708   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.804  -1.120   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.233  -1.120   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.804  -1.945   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.090  -2.358   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.625  -1.945   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.625  -1.120   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.090  -0.708   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.090  -3.183   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.339  -2.358   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       2.053  -1.945   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       2.768  -2.358   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.482  -1.945   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       2.768  -3.183   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       4.307  -1.945   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.895  -1.231   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6   12                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    4    9   17                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12   15                                            
CONECT   12   11    5                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   11   16                                            
CONECT   16   15                                                      
CONECT   17    8   18   19                                            
CONECT   18   17   20   24                                            
CONECT   19   17                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
CONECT   25   21                                                      
CONECT   26   22   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28   31   32                                            
CONECT   30   28                                                      
CONECT   31   29   32                                                 
CONECT   32   31   29                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0H9IX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.992   0.412   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.992  -0.412   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.278  -0.825   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.437  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.437   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.278   0.825   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.222  -0.667   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.706   0.000   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.222   0.667   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.476   1.452   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.278   1.650   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.706  -0.825   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.706   0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.278  -1.650   0.000  1.00  0.00           C  
CONECT    1    2    6   13                                            
CONECT    2    1    3   12                                            
CONECT    3    2    4   14                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9                                                      
CONECT   11    6                                                      
CONECT   12    2                                                      
CONECT   13    1                                                      
CONECT   14    3                                                      
MASTER        0    0    0    0    0    0    0    0   14    0   14    0
END
M  END

$$$$
D0H9RP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.985  -1.077   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.130  -1.890   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.499  -2.421   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.723  -2.140   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.578  -1.328   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.209  -0.796   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.178  -2.760   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.354  -2.720   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.871  -2.051   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.093  -1.256   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.853  -0.934   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.853  -0.109   0.000  1.00  0.00           O  
HETATM   13  N   UNL     1      -3.065   0.016   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.474  -0.711   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.955  -0.711   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.955   0.114   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.240   0.526   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.474   0.114   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.740  -0.966   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.224  -0.299   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       1.740   0.369   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       0.240  -1.124   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.953   1.166   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.750   1.379   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.963   2.176   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.380   2.760   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.583   2.546   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.370   1.749   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       4.130   1.225   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       3.546   1.808   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       2.963   1.225   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       2.963   2.392   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       4.130   2.392   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1   13                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10    5   12                                            
CONECT   12   11                                                      
CONECT   13    6                                                      
CONECT   14   10   18   22                                            
CONECT   15   16   19   22                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   14                                                 
CONECT   19   15   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16   23                                            
CONECT   22   14   15                                                 
CONECT   23   21   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   25   30                                                 
CONECT   30   29   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0HB3F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.002  -0.652   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.008   0.172   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.795   0.422   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.275  -0.249   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.785  -0.913   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.399   0.729   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.577   1.535   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.363   1.784   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.972   1.228   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.951  -1.721   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.334  -2.269   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.551  -2.008   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.386  -1.200   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.397  -0.940   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.112  -1.352   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.198  -2.172   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.005  -2.344   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.417  -1.630   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1       1.865  -1.016   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.540   2.590   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       0.032   2.091   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.993   3.207   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.410   3.918   0.000  1.00  0.00           O  
HETATM   24  N   UNL     1      -2.216   3.741   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.296   2.920   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.829   1.877   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.172   3.126   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.008   2.502   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.500  -3.077   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.037  -0.209   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.341  -3.098   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.254  -3.918   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.008  -3.583   0.000  1.00  0.00           C  
CONECT    1    2    5   13                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    1   10                                            
CONECT    6    2    7                                                 
CONECT    7    6    8   21                                            
CONECT    8    7    9   20                                            
CONECT    9    8    3                                                 
CONECT   10    5   11                                                 
CONECT   11   10   12   29                                            
CONECT   12   11   13                                                 
CONECT   13   12    1   14                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   31                                            
CONECT   18   17   19                                                 
CONECT   19   18   15   30                                            
CONECT   20    8   22   25                                            
CONECT   21    7   26                                                 
CONECT   22   20   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20   28                                            
CONECT   26   21                                                      
CONECT   27   22                                                      
CONECT   28   25                                                      
CONECT   29   11                                                      
CONECT   30   19                                                      
CONECT   31   17   32   33                                            
CONECT   32   31   33                                                 
CONECT   33   32   31                                                 
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0HC5P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143  -1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -2.062   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.429  -2.475   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.714  -2.062   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.714  -1.238   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.429  -0.825   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.070  -2.317   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.555  -1.650   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.070  -0.983   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.858  -2.475   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.429   0.000   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.714   0.412   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.714   1.238   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.429   1.650   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.143   1.238   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.143   0.412   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       0.000   1.650   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.714   1.238   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.714   0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.429   0.000   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.143   0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.143   1.238   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.429   1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.858   1.650   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       0.000   2.475   0.000  1.00  0.00           O  
HETATM   26 CL   UNL     1       1.429  -0.825   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    2                                                      
CONECT   11    6   12   16                                            
CONECT   12   13   11                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   13   18   25                                            
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   26                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   18                                                 
CONECT   24   22                                                      
CONECT   25   17                                                      
CONECT   26   20                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0HC9K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.577  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.577  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.862  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.148  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.148  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.862   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.291   0.206   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.567   0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.281  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.995   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.995   1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.281   1.444   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.567   1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.291   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.006   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.720   1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.720   0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.006  -0.206   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.435   1.444   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -5.149   1.031   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.149   0.206   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.435  -0.206   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1       2.710   1.444   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       3.424   1.031   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.638   0.234   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.435   0.448   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.221   1.245   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       5.149   0.035   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.864   1.030   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -0.039   1.030   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1   29                                            
CONECT    7    1   14   18                                            
CONECT    8    5    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   23                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    7   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18   22                                            
CONECT   18   17    7                                                 
CONECT   19   16   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   11   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   24                                                 
CONECT   28   26                                                      
CONECT   29    6   30                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0HD6C
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.575   2.838   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.575   2.013   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.861   1.601   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.146   2.013   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.146   2.838   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.861   3.251   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.432   1.601   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.345   0.780   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.462   0.609   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.874   1.323   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.322   1.936   0.000  1.00  0.00           N  
HETATM   12 CL   UNL     1      -3.290   3.251   0.000  1.00  0.00          Cl  
HETATM   13 CL   UNL     1      -0.432   3.251   0.000  1.00  0.00          Cl  
HETATM   14  C   UNL     1       1.699   1.323   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.983   0.256   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.983  -0.569   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.345  -1.073   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.462  -0.878   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.808  -0.129   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.729   0.609   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.443   0.196   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.158   0.609   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.872   0.196   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.872  -0.629   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.158  -1.041   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.443  -0.629   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -4.587  -1.041   0.000  1.00  0.00           F  
HETATM   28  C   UNL     1      -0.522  -1.879   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       2.111   0.609   0.000  1.00  0.00           N  
HETATM   30  O   UNL     1       2.111   2.038   0.000  1.00  0.00           O  
HETATM   31  N   UNL     1       2.937   0.609   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       3.349  -0.106   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.174  -0.106   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.587   0.609   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.174   1.323   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.349   1.323   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1      -1.319  -2.093   0.000  1.00  0.00           O  
HETATM   38  O   UNL     1       0.074  -2.449   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1      -0.121  -3.251   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   13                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   15                                            
CONECT    9    8   10   19                                            
CONECT   10    9   11   14                                            
CONECT   11   10    7                                                 
CONECT   12    1                                                      
CONECT   13    5                                                      
CONECT   14   10   29   30                                            
CONECT   15    8   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   28                                            
CONECT   18   17   19                                                 
CONECT   19   18    9                                                 
CONECT   20   15   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   24                                                      
CONECT   28   17   37   38                                            
CONECT   29   14   31                                                 
CONECT   30   14                                                      
CONECT   31   29   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
CONECT   37   28                                                      
CONECT   38   28   39                                                 
CONECT   39   38                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0HD7S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.875   1.002   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.875   0.177   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.160  -0.235   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.446   0.177   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.446   1.002   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.160   1.415   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.731  -0.235   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.645  -1.056   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.838  -1.227   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.426  -0.513   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.978   0.101   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.258  -1.607   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.043  -1.353   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.656  -1.905   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.484  -2.712   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.700  -2.966   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.087  -2.414   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -4.097  -3.264   0.000  1.00  0.00          Cl  
HETATM   19  C   UNL     1       0.395  -0.426   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       0.880  -1.094   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1       0.731   0.327   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       1.551   0.414   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.887   1.167   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.402   1.835   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.581   1.748   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.246   0.995   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.989   2.549   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       1.402   3.264   0.000  1.00  0.00           N  
HETATM   29  O   UNL     1       0.164   2.549   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       2.199   2.048   0.000  1.00  0.00           C  
HETATM   31 CL   UNL     1      -4.589   1.415   0.000  1.00  0.00          Cl  
HETATM   32 CL   UNL     1      -1.302  -2.670   0.000  1.00  0.00          Cl  
HETATM   33  C   UNL     1      -0.806   0.907   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.520   1.320   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.520   2.145   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1      -2.235   2.558   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1       2.782   1.465   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       3.579   1.678   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       3.792   2.475   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       3.209   3.059   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       2.412   2.845   0.000  1.00  0.00           C  
HETATM   42 CL   UNL     1       4.589   2.689   0.000  1.00  0.00          Cl  
CONECT    1    2    6   31                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   19                                            
CONECT   11   10    7   33                                            
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   32                                            
CONECT   18   15                                                      
CONECT   19   10   20   21                                            
CONECT   20   19                                                      
CONECT   21   19   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27   30                                       
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   24   28   29                                            
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   24   37   41                                            
CONECT   31    1                                                      
CONECT   32   17                                                      
CONECT   33   11   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35                                                      
CONECT   37   30   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40   42                                            
CONECT   40   39   41                                                 
CONECT   41   40   30                                                 
CONECT   42   39                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D0HE7X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.617   0.619   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.097   0.206   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.812   0.619   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       1.526   0.206   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.241   0.619   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       0.812   1.444   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1       2.955   0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.670   0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.670   1.444   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.955   1.856   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.241   1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.955  -0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.670  -1.031   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       4.384  -0.619   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       4.384   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.670  -1.856   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.703   1.439   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.510   1.611   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.923   0.896   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.371   0.283   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.743   0.810   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.228   1.478   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.049   1.391   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.384   0.638   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.899  -0.030   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.079   0.056   0.000  1.00  0.00           C  
HETATM   27  H   UNL     1      -4.235  -0.783   0.000  1.00  0.00           H  
HETATM   28  F   UNL     1      -2.594  -0.611   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1       1.526   1.856   0.000  1.00  0.00           F  
CONECT    1    2   17   20                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4    7   11                                            
CONECT    6    3                                                      
CONECT    7    5    8   12                                            
CONECT    8    7    9   15                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    5   29                                            
CONECT   12    7   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14    8                                                 
CONECT   16   13                                                      
CONECT   17    1   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19    1                                                 
CONECT   21   19   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   21   28                                            
CONECT   27   25                                                      
CONECT   28   26                                                      
CONECT   29   11                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0HE8M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNK     1      -2.193   0.740   0.000  1.00  0.00           C  
HETATM    2  N   UNK     1      -2.193  -0.085   0.000  1.00  0.00           N  
HETATM    3  O   UNK     1      -1.408  -0.340   0.000  1.00  0.00           O  
HETATM    4  C   UNK     1      -0.923   0.328   0.000  1.00  0.00           C  
HETATM    5  N   UNK     1      -1.408   0.995   0.000  1.00  0.00           N  
HETATM    6  C   UNK     1      -2.860   1.225   0.000  1.00  0.00           C  
HETATM    7  C   UNK     1      -2.774   2.045   0.000  1.00  0.00           C  
HETATM    8  N   UNK     1      -3.614   0.889   0.000  1.00  0.00           N  
HETATM    9  O   UNK     1      -3.442   2.530   0.000  1.00  0.00           O  
HETATM   10  C   UNK     1      -0.098   0.328   0.000  1.00  0.00           C  
HETATM   11  N   UNK     1       0.314  -0.387   0.000  1.00  0.00           N  
HETATM   12  C   UNK     1       0.314   1.042   0.000  1.00  0.00           C  
HETATM   13  C   UNK     1      -0.098   1.756   0.000  1.00  0.00           C  
HETATM   14  O   UNK     1      -0.923   1.756   0.000  1.00  0.00           O  
HETATM   15  N   UNK     1       0.314   2.471   0.000  1.00  0.00           N  
HETATM   16  C   UNK     1       1.139  -0.387   0.000  1.00  0.00           C  
HETATM   17  O   UNK     1       1.552   0.328   0.000  1.00  0.00           O  
HETATM   18  N   UNK     1       1.552  -1.101   0.000  1.00  0.00           N  
HETATM   19  C   UNK     1       2.377  -1.101   0.000  1.00  0.00           C  
HETATM   20  C   UNK     1       2.789  -0.387   0.000  1.00  0.00           C  
HETATM   21  C   UNK     1       2.377   0.328   0.000  1.00  0.00           C  
HETATM   22  O   UNK     1       3.614  -0.387   0.000  1.00  0.00           O  
HETATM   23  C   UNK     1       2.789  -1.816   0.000  1.00  0.00           C  
HETATM   24  O   UNK     1       3.614  -1.816   0.000  1.00  0.00           O  
HETATM   25  O   UNK     1       2.377  -2.530   0.000  1.00  0.00           O  
CONECT    1    2    5    6                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    1                                                 
CONECT    6    1    7    8                                            
CONECT    7    6    9                                                 
CONECT    8    6                                                      
CONECT    9    7                                                      
CONECT   10    4   11   12                                            
CONECT   11   10   16                                                 
CONECT   12   10   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   11   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21   22                                            
CONECT   21   20                                                      
CONECT   22   20                                                      
CONECT   23   19   24   25                                            
CONECT   24   23                                                      
CONECT   25   23                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0HF0R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       3.174   0.158   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       3.174  -0.667   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       3.888  -1.079   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       4.603  -0.667   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       4.603   0.158   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       3.888   0.571   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       2.459   0.571   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.745   0.158   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.745  -0.667   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.459  -1.079   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       5.317   0.571   0.000  1.00  0.00           C  
HETATM   12  F   UNL     1       5.531   1.368   0.000  1.00  0.00           F  
HETATM   13  F   UNL     1       6.114   0.357   0.000  1.00  0.00           F  
HETATM   14  F   UNL     1       5.531  -0.226   0.000  1.00  0.00           F  
HETATM   15  S   UNL     1       1.030  -1.079   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1       0.316  -0.667   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.316   0.158   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.398   0.571   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.113   0.158   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.113  -0.667   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.398  -1.079   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1      -0.398   1.396   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1      -1.827  -1.079   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.542  -0.667   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.256  -1.079   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.256  -1.904   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.542  -2.317   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.827  -1.904   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.971  -2.317   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.685  -1.904   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.400  -2.317   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1      -5.400  -3.142   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1      -4.685  -3.554   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.971  -3.142   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.114  -3.554   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.113   1.808   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.199   2.629   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.006   2.800   0.000  1.00  0.00           C  
HETATM   39  N   UNL     1      -2.419   2.086   0.000  1.00  0.00           N  
HETATM   40  N   UNL     1      -1.867   1.473   0.000  1.00  0.00           N  
HETATM   41  C   UNL     1      -2.342   3.554   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   15                                            
CONECT   10    9    2                                                 
CONECT   11    5   12   13   14                                       
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14   11                                                      
CONECT   15    9   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   16                                                 
CONECT   22   18   36                                                 
CONECT   23   20   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   26   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   35                                            
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   32                                                      
CONECT   36   22   37   40                                            
CONECT   37   36   38                                                 
CONECT   38   37   39   41                                            
CONECT   39   38   40                                                 
CONECT   40   39   36                                                 
CONECT   41   38                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D0HF1A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.717  -0.867   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.717  -1.692   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.002  -2.105   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.288  -1.692   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.288  -0.867   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.002  -0.455   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.427  -0.455   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.141  -0.867   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1       0.427   0.370   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.856  -0.455   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.609  -0.790   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1       3.162  -0.177   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.749   0.537   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.942   0.366   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.431  -0.455   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.781  -1.597   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.168  -2.149   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.339  -2.956   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.124  -3.211   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.737  -2.659   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.565  -1.852   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.517   0.366   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1      -3.324   0.537   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.737  -0.177   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.185  -0.790   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.004   1.322   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.452   1.935   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.645   1.764   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       1.390   0.979   0.000  1.00  0.00           N  
HETATM   30  F   UNL     1       0.427  -2.105   0.000  1.00  0.00           F  
HETATM   31  C   UNL     1       2.707   2.720   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       2.155   3.333   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       3.514   2.891   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.432  -2.105   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1      -1.723  -3.333   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1      -3.660  -2.814   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -3.141  -0.877   0.000  1.00  0.00           F  
CONECT    1    2    6   15                                            
CONECT    2    1    3   34                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   30                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   14                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   26                                            
CONECT   14   13   10   29                                            
CONECT   15    1   22   25                                            
CONECT   16   11   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   15   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   15                                                 
CONECT   26   13   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   14                                                 
CONECT   30    4                                                      
CONECT   31   27   32   33                                            
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   35   36   37    2                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END

$$$$

$$$$

$$$$
D0HF7V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNK     1      -4.287   0.412   0.000  1.00  0.00           N  
HETATM    2  C   UNK     1      -3.572   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNK     1      -2.858   0.412   0.000  1.00  0.00           C  
HETATM    4  N   UNK     1      -2.143   0.825   0.000  1.00  0.00           N  
HETATM    5  N   UNK     1      -1.429   0.412   0.000  1.00  0.00           N  
HETATM    6  C   UNK     1      -0.715   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNK     1       0.000   0.412   0.000  1.00  0.00           C  
HETATM    8  N   UNK     1       0.715   0.825   0.000  1.00  0.00           N  
HETATM    9  C   UNK     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM   10  N   UNK     1       2.143   0.825   0.000  1.00  0.00           N  
HETATM   11  C   UNK     1       2.858   0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNK     1       3.572   0.825   0.000  1.00  0.00           C  
HETATM   13  O   UNK     1       4.287   0.412   0.000  1.00  0.00           O  
HETATM   14  O   UNK     1       3.572   1.650   0.000  1.00  0.00           O  
HETATM   15  O   UNK     1       1.429  -0.412   0.000  1.00  0.00           O  
HETATM   16  O   UNK     1      -0.715   1.650   0.000  1.00  0.00           O  
HETATM   17  O   UNK     1      -2.858  -0.412   0.000  1.00  0.00           O  
HETATM   18  C   UNK     1      -3.572   1.650   0.000  1.00  0.00           C  
HETATM   19  O   UNK     1      -4.287   2.062   0.000  1.00  0.00           O  
HETATM   20  C   UNK     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNK     1      -0.715  -0.825   0.000  1.00  0.00           C  
HETATM   22  O   UNK     1      -1.511  -0.612   0.000  1.00  0.00           O  
HETATM   23  N   UNK     1      -0.715  -1.650   0.000  1.00  0.00           N  
HETATM   24  C   UNK     1       2.858  -0.412   0.000  1.00  0.00           C  
HETATM   25  C   UNK     1       3.572  -0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNK     1       3.572  -1.650   0.000  1.00  0.00           C  
HETATM   27  C   UNK     1       2.858  -2.062   0.000  1.00  0.00           C  
HETATM   28  N   UNK     1       2.143  -1.650   0.000  1.00  0.00           N  
CONECT    1    2                                                      
CONECT    2    1    3   18                                            
CONECT    3    2    4   17                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7   16                                            
CONECT    7    6    8   20                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   15                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   24                                            
CONECT   12   11   13   14                                            
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15    9                                                      
CONECT   16    6                                                      
CONECT   17    3                                                      
CONECT   18    2   19                                                 
CONECT   19   18                                                      
CONECT   20    7   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24   11   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0HG0F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.565   1.472   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.565   0.647   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.851   0.235   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.136   0.647   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.136   1.472   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.851   1.885   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       0.578   1.885   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.293   1.472   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.007   1.885   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.007   2.710   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.293   3.123   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.578   2.710   0.000  1.00  0.00           C  
HETATM   13 CL   UNL     1       2.722   3.123   0.000  1.00  0.00          Cl  
HETATM   14  C   UNL     1       1.293   0.647   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.293  -0.177   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.709   0.064   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.876   0.064   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.280   1.885   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.280   2.710   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.994   3.123   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.851  -0.590   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.136  -1.002   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.661  -0.789   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.244  -1.372   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.030  -2.169   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.614  -2.753   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.411  -2.539   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.624  -1.742   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.041  -1.159   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1       2.994  -3.123   0.000  1.00  0.00           F  
CONECT    1    2    6   18                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   21                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9   14                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10                                                      
CONECT   14    8   15   16   17                                       
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17   14                                                      
CONECT   18    1   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19                                                      
CONECT   21    3   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0HG1W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.094  -1.429   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.269  -1.429   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.856  -0.715   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.269  -0.001   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.094  -0.001   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.506  -0.715   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.031  -0.715   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.619  -0.001   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.031   0.714   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.856   0.714   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.206  -0.001   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.031  -0.001   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.856  -0.001   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.269  -0.715   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.094  -0.715   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.506  -0.001   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.094   0.714   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.269   0.714   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       3.506   1.429   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.088   1.429   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    8   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   13                                                 
CONECT   19   20   17                                                 
CONECT   20   19                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0HG2S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.486  -0.162   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.486  -0.987   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.772  -1.399   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.057  -0.987   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.057  -0.162   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.772   0.251   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.343   0.251   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.371  -0.162   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.371  -0.987   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.086  -1.399   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.800  -0.987   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.800  -0.162   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.086   0.251   0.000  1.00  0.00           C  
HETATM   14  S   UNL     1       2.515  -1.399   0.000  1.00  0.00           S  
HETATM   15  O   UNL     1       2.102  -2.114   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       3.312  -1.186   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       2.927  -2.114   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       3.312  -0.361   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -3.201   0.251   0.000  1.00  0.00          Cl  
HETATM   20  N   UNL     1       4.026   0.051   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       4.026   0.876   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.312   1.289   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.597   0.876   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.597   0.051   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1       3.312   2.114   0.000  1.00  0.00           F  
HETATM   26  C   UNL     1      -3.201  -1.399   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.026  -1.399   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       1.084   1.075   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       1.909   1.075   0.000  1.00  0.00           N  
CONECT    1    2    6   19                                            
CONECT    2    1    3   26                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8   28                                            
CONECT   14   11   15   16   17                                       
CONECT   15   14                                                      
CONECT   16   14   18                                                 
CONECT   17   14                                                      
CONECT   18   16   20   24                                            
CONECT   19    1                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
CONECT   25   22                                                      
CONECT   26    2   27                                                 
CONECT   27   26                                                      
CONECT   28   13   29                                                 
CONECT   29   28                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0HH1K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786   1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786   0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357   0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357   1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072   1.856   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.357   0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.072   0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.072   1.444   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.357   1.856   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.357  -0.206   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.357  -1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.357  -1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.072  -1.031   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       1.072  -0.206   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.072  -1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.072  -2.269   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.357  -2.681   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.357  -2.269   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.072  -2.681   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.786  -2.269   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.786  -1.444   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.072   2.681   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       0.357   2.681   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   23                                            
CONECT    7    4    8   11   15                                       
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   24                                            
CONECT   11    7   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14   19                                            
CONECT   14   13   15   22                                            
CONECT   15   14    7                                                 
CONECT   16   12   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   13   20                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   14                                                 
CONECT   23    6                                                      
CONECT   24   10                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0HH1O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.359  -1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.644  -2.062   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.930  -1.650   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.930  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.644  -0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.359  -0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.215  -0.412   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.501  -0.825   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.786  -0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.072  -0.825   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.357  -0.412   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.357   0.412   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.072   0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.786   0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.357   0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.072   0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.786   0.825   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.072  -0.412   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.501   0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.215   0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.215   1.650   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.501   2.062   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.786   1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.930   2.062   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       4.644   1.650   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       5.359   2.062   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.644   0.825   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.072   1.650   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       2.501  -0.412   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14   28                                            
CONECT   14   13    9                                                 
CONECT   15   12   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   19   23                                            
CONECT   18   16                                                      
CONECT   19   17   20   29                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   17                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   13                                                      
CONECT   29   19                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0HH4L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNK     1      -2.020  -0.084   0.000  1.00  0.00           C  
HETATM    2  C   UNK     1      -2.020  -0.908   0.000  1.00  0.00           C  
HETATM    3  C   UNK     1      -1.306  -1.321   0.000  1.00  0.00           C  
HETATM    4  C   UNK     1      -0.591  -0.908   0.000  1.00  0.00           C  
HETATM    5  C   UNK     1      -0.591  -0.084   0.000  1.00  0.00           C  
HETATM    6  C   UNK     1      -1.306   0.329   0.000  1.00  0.00           C  
HETATM    7  C   UNK     1       0.123   0.329   0.000  1.00  0.00           C  
HETATM    8  O   UNK     1      -2.735  -1.321   0.000  1.00  0.00           O  
HETATM    9  N   UNK     1       0.877  -0.007   0.000  1.00  0.00           N  
HETATM   10  C   UNK     1       1.429   0.607   0.000  1.00  0.00           C  
HETATM   11  C   UNK     1       1.017   1.321   0.000  1.00  0.00           C  
HETATM   12  S   UNK     1       0.210   1.149   0.000  1.00  0.00           S  
HETATM   13  C   UNK     1       2.250   0.520   0.000  1.00  0.00           C  
HETATM   14  O   UNK     1       2.735   1.188   0.000  1.00  0.00           O  
HETATM   15  O   UNK     1       2.585  -0.233   0.000  1.00  0.00           O  
HETATM   16  H   UNK     1      -0.591   0.742   0.000  1.00  0.00           H  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    9   12   16                                       
CONECT    8    2                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16    7                                                      
MASTER        0    0    0    0    0    0    0    0   16    0   16    0
END
M  END

$$$$
D0HH5B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.649   1.525   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.649   0.700   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.065   0.287   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.780   0.700   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.780   1.525   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.065   1.937   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.565   0.445   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.049   1.112   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.565   1.780   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1       2.874   1.112   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       3.287   0.398   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.874  -0.317   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.287  -1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.112  -1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.524  -0.317   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.112   0.398   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.874  -1.746   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       3.287  -2.460   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       4.112  -2.460   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.524  -3.175   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       4.524  -1.746   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       4.112  -3.889   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       5.349  -3.175   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.937  -2.460   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.364   1.937   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.078   1.525   0.000  1.00  0.00           N  
HETATM   27  O   UNL     1      -1.364   2.762   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1      -1.364   0.287   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.364  -0.538   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.792   1.937   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.792   2.762   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.507   3.175   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.221   2.762   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.221   1.937   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.507   1.525   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.078  -1.363   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1      -2.078  -0.538   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1      -1.364  -1.775   0.000  1.00  0.00           F  
HETATM   39  C   UNL     1      -4.937   3.175   0.000  1.00  0.00           C  
HETATM   40  F   UNL     1      -4.524   3.889   0.000  1.00  0.00           F  
HETATM   41  F   UNL     1      -4.222   2.762   0.000  1.00  0.00           F  
HETATM   42  F   UNL     1      -5.349   2.460   0.000  1.00  0.00           F  
HETATM   43  C   UNL     1       4.523   1.113   0.000  1.00  0.00           C  
HETATM   44  F   UNL     1       3.809   1.526   0.000  1.00  0.00           F  
HETATM   45  F   UNL     1       4.936   1.828   0.000  1.00  0.00           F  
HETATM   46  F   UNL     1       5.238   0.701   0.000  1.00  0.00           F  
CONECT    1    2    6   25                                            
CONECT    2    1    3   28                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11   43                                            
CONECT   17   13   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   22   23   24                                       
CONECT   21   19                                                      
CONECT   22   20                                                      
CONECT   23   20                                                      
CONECT   24   20                                                      
CONECT   25    1   26   27                                            
CONECT   26   25   30                                                 
CONECT   27   25                                                      
CONECT   28    2   29                                                 
CONECT   29   28   36                                                 
CONECT   30   26   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   39                                            
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
CONECT   36   29   37   38                                            
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   33   40   41   42                                       
CONECT   40   39                                                      
CONECT   41   39                                                      
CONECT   42   39                                                      
CONECT   43   16   44   45   46                                       
CONECT   44   43                                                      
CONECT   45   43                                                      
CONECT   46   43                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
M  END

$$$$
D0HI8X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.951   1.648   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.951   0.823   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.665   0.410   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.379   0.823   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.379   1.648   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.665   2.060   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.665  -0.412   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.238   0.412   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.476   0.824   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.190   0.412   0.000  1.00  0.00           C  
HETATM   11  S   UNL     1      -1.944   0.747   0.000  1.00  0.00           S  
HETATM   12  C   UNL     1      -2.496   0.134   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.084  -0.580   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.277  -0.409   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.314   0.220   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.649   0.974   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.470   1.060   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.955   0.393   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.619  -0.361   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.799  -0.447   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -5.775   0.306   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -5.947  -0.501   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -5.232  -0.913   0.000  1.00  0.00           N  
HETATM   24  O   UNL     1       0.953  -0.823   0.000  1.00  0.00           O  
HETATM   25  N   UNL     1       2.377  -0.823   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       3.091  -0.410   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.806  -0.823   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.806  -1.648   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.520  -2.060   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.235  -1.648   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.235  -0.823   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.520  -0.410   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.091   0.412   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1       5.947  -2.059   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3   24   25                                            
CONECT    8    2    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   12   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20   23                                            
CONECT   20   19   15                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   19                                                 
CONECT   24    7                                                      
CONECT   25    7   26                                                 
CONECT   26   25   27   33                                            
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   34                                            
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   26                                                      
CONECT   34   30                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END

$$$$

$$$$

$$$$
D0HJ2J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.716   2.573   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.001   2.985   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.287   2.573   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.572   2.985   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.858   2.573   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.143   2.985   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429   2.573   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.715   2.985   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.000   2.573   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.715   2.985   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.429   2.573   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.143   2.985   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.858   2.573   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       3.572   2.985   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       4.287   2.573   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -5.716   1.748   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -6.430   2.985   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.430   3.810   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -7.145   4.223   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -7.859   3.810   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.859   2.985   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -7.145   2.573   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -8.574   4.223   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.288   3.810   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.288   2.985   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.574   2.573   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.572   3.810   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -2.143   3.810   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.429   1.748   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -0.715   3.810   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       0.715   3.810   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       1.429   1.748   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       2.858   1.748   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.287  -2.586   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.143   4.606   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.858   5.018   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       1.429   5.018   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1      -3.572  -2.999   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1      -2.858  -2.586   0.000  1.00  0.00           C  
HETATM   40  O   UNL     1      -2.858  -1.761   0.000  1.00  0.00           O  
HETATM   41  C   UNL     1      -2.143  -2.999   0.000  1.00  0.00           C  
HETATM   42  N   UNL     1      -1.429  -2.586   0.000  1.00  0.00           N  
HETATM   43  C   UNL     1      -0.715  -2.999   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       0.000  -2.586   0.000  1.00  0.00           C  
HETATM   45  N   UNL     1       0.715  -2.999   0.000  1.00  0.00           N  
HETATM   46  C   UNL     1       1.429  -2.586   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1       2.143  -2.999   0.000  1.00  0.00           C  
HETATM   48  N   UNL     1       2.858  -2.586   0.000  1.00  0.00           N  
HETATM   49  C   UNL     1      -2.143  -4.606   0.000  1.00  0.00           C  
HETATM   50  C   UNL     1      -1.429  -5.018   0.000  1.00  0.00           C  
HETATM   51  C   UNL     1      -2.858  -5.018   0.000  1.00  0.00           C  
HETATM   52  C   UNL     1      -1.429  -1.761   0.000  1.00  0.00           C  
HETATM   53  O   UNL     1      -0.715  -3.824   0.000  1.00  0.00           O  
HETATM   54  C   UNL     1       0.715  -3.824   0.000  1.00  0.00           C  
HETATM   55  O   UNL     1       1.429  -1.761   0.000  1.00  0.00           O  
HETATM   56  C   UNL     1       3.572  -2.999   0.000  1.00  0.00           C  
HETATM   57  O   UNL     1       3.572  -3.824   0.000  1.00  0.00           O  
HETATM   58  C   UNL     1       4.287  -2.586   0.000  1.00  0.00           C  
HETATM   59  N   UNL     1       5.001  -2.999   0.000  1.00  0.00           N  
HETATM   60  C   UNL     1       5.716  -2.586   0.000  1.00  0.00           C  
HETATM   61  O   UNL     1       5.716  -1.761   0.000  1.00  0.00           O  
HETATM   62  C   UNL     1       6.430  -2.999   0.000  1.00  0.00           C  
HETATM   63  C   UNL     1       6.430  -3.824   0.000  1.00  0.00           C  
HETATM   64  N   UNL     1       7.145  -4.236   0.000  1.00  0.00           N  
HETATM   65  C   UNL     1       7.859  -3.824   0.000  1.00  0.00           C  
HETATM   66  C   UNL     1       7.859  -2.999   0.000  1.00  0.00           C  
HETATM   67  N   UNL     1       7.145  -2.586   0.000  1.00  0.00           N  
HETATM   68  C   UNL     1       8.574  -4.236   0.000  1.00  0.00           C  
HETATM   69  C   UNL     1       9.288  -3.824   0.000  1.00  0.00           C  
HETATM   70  C   UNL     1       9.288  -2.999   0.000  1.00  0.00           C  
HETATM   71  C   UNL     1       8.574  -2.586   0.000  1.00  0.00           C  
HETATM   72  C   UNL     1       2.143  -3.824   0.000  1.00  0.00           C  
HETATM   73  C   UNL     1       0.000   0.424   0.000  1.00  0.00           C  
HETATM   74  S   UNL     1      -0.715   0.012   0.000  1.00  0.00           S  
HETATM   75  S   UNL     1       0.715   0.012   0.000  1.00  0.00           S  
HETATM   76  C   UNL     1       1.511   0.225   0.000  1.00  0.00           C  
HETATM   77  C   UNL     1      -0.715  -1.166   0.000  1.00  0.00           C  
CONECT    1    2   16   17                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   34                                            
CONECT    4    3    5   27                                            
CONECT    5    4    6                                                 
CONECT    6    5    7   28                                            
CONECT    7    6    8   29                                            
CONECT    8    7    9   30                                            
CONECT    9    8   10   73                                            
CONECT   10    9   11   31                                            
CONECT   11   10   12   32                                            
CONECT   12   11   13   35                                            
CONECT   13   12   14   33                                            
CONECT   14   13   15                                                 
CONECT   15   14   58                                                 
CONECT   16    1                                                      
CONECT   17    1   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22   26                                            
CONECT   22   21   17                                                 
CONECT   23   20   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27    4                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   13                                                      
CONECT   34    3   38                                                 
CONECT   35   12   36   37                                            
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   34   39                                                 
CONECT   39   38   40   41                                            
CONECT   40   39                                                      
CONECT   41   39   42   49                                            
CONECT   42   41   43   52                                            
CONECT   43   42   44   53                                            
CONECT   44   43   45   77                                            
CONECT   45   44   46   54                                            
CONECT   46   45   47   55                                            
CONECT   47   46   48   72                                            
CONECT   48   47   56                                                 
CONECT   49   41   50   51                                            
CONECT   50   49                                                      
CONECT   51   49                                                      
CONECT   52   42                                                      
CONECT   53   43                                                      
CONECT   54   45                                                      
CONECT   55   46                                                      
CONECT   56   48   57   58                                            
CONECT   57   56                                                      
CONECT   58   56   15   59                                            
CONECT   59   58   60                                                 
CONECT   60   59   61   62                                            
CONECT   61   60                                                      
CONECT   62   60   63   67                                            
CONECT   63   62   64                                                 
CONECT   64   63   65                                                 
CONECT   65   64   66   68                                            
CONECT   66   65   67   71                                            
CONECT   67   66   62                                                 
CONECT   68   65   69                                                 
CONECT   69   68   70                                                 
CONECT   70   69   71                                                 
CONECT   71   70   66                                                 
CONECT   72   47                                                      
CONECT   73    9   74   75                                            
CONECT   74   73   77                                                 
CONECT   75   73   76                                                 
CONECT   76   75                                                      
CONECT   77   74   44                                                 
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
M  END

$$$$
D0HK8C
  -OEChem-09301911202D

 28 30  0     0  0  0  0  0  0999 V2000
    7.2241    1.7673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.2119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125   -1.3019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    1.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7458   -1.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6720   -1.6057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 17  2  0  0  0  0
  2 11  2  0  0  0  0
  2 17  1  0  0  0  0
  3 11  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  5 11  1  0  0  0  0
  6 18  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 12 14  1  0  0  0  0
 12 21  1  0  0  0  0
 13 15  2  0  0  0  0
 13 22  1  0  0  0  0
 14 16  2  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
M  END

$$$$
D0HL5C
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.297  -0.596   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.297  -1.421   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.582  -1.833   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.868  -1.421   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.868  -0.596   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.582  -0.183   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.082  -0.341   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.566  -1.008   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.082  -1.676   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.336   0.444   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.153  -0.183   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.133   0.657   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.769   1.042   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.003   1.833   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.966   0.850   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.201   1.641   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.561  -0.596   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.275  -0.183   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.275   0.642   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.561   1.054   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.153   0.642   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.990  -0.596   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.704  -0.183   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.419  -0.596   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       2.704   0.642   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       4.133  -0.183   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    1    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    7   12   13                                            
CONECT   11    5   17   21                                            
CONECT   12   10                                                      
CONECT   13   10   14   15   16                                       
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   13                                                      
CONECT   17   11   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   11                                                 
CONECT   22   18   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   26                                                 
CONECT   25   23                                                      
CONECT   26   24                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0HL6X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.582   1.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.582   1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.868   0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.154   1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.154   1.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.868   2.269   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.439   0.619   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.725   1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.725   1.856   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.439   2.269   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.439  -0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.725  -0.619   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.010  -0.206   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.010   0.619   0.000  1.00  0.00           C  
HETATM   15  F   UNL     1      -3.868   3.094   0.000  1.00  0.00           F  
HETATM   16  F   UNL     1      -4.451   0.035   0.000  1.00  0.00           F  
HETATM   17  C   UNL     1      -3.154  -0.619   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.868  -1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.868  -1.856   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.154  -2.269   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.439  -1.856   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.439  -1.031   0.000  1.00  0.00           C  
HETATM   23 CL   UNL     1      -3.154  -3.094   0.000  1.00  0.00          Cl  
HETATM   24  C   UNL     1      -0.296   1.031   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.419   0.619   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.848   0.619   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.562   1.031   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       3.277   0.619   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       3.363  -0.202   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.170  -0.373   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.582   0.341   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       4.030   0.954   0.000  1.00  0.00           N  
HETATM   33  S   UNL     1      -3.154   0.206   0.000  1.00  0.00           S  
HETATM   34  O   UNL     1      -2.331   0.206   0.000  1.00  0.00           O  
HETATM   35  O   UNL     1      -3.976   0.206   0.000  1.00  0.00           O  
HETATM   36  S   UNL     1       1.133   1.031   0.000  1.00  0.00           S  
HETATM   37  O   UNL     1       1.544   0.319   0.000  1.00  0.00           O  
HETATM   38  O   UNL     1       0.722   1.743   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   16                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   15                                            
CONECT    7   33    8   11    4                                       
CONECT    8    7   14    9                                            
CONECT    9   10    8                                                 
CONECT   10    9    5                                                 
CONECT   11    7   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    8   24                                            
CONECT   15    6                                                      
CONECT   16    3                                                      
CONECT   17   33   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   20                                                      
CONECT   24   14   25                                                 
CONECT   25   36   24                                                 
CONECT   26   36   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   32                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   28                                                 
CONECT   33   34   35   17    7                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   37   38   25   26                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0HM6Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.654   1.629   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.654   0.804   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.940   0.391   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.225   0.804   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.225   1.629   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.940   2.041   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.369   0.391   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.511   0.391   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.511  -0.434   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.204  -0.846   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.918  -0.434   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.918   0.391   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.204   0.804   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.703  -0.689   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       2.188  -0.021   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.703   0.646   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.013  -0.021   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       3.425  -0.736   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       3.090  -1.489   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.703  -2.041   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.417  -1.629   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.246  -0.822   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.798  -0.209   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       4.543   0.576   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.083   0.804   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.798   0.391   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.798  -0.434   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.083  -0.846   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.369  -0.434   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2   25   29                                            
CONECT    8    4    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13   16                                            
CONECT   13   12    8                                                 
CONECT   14   11   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   12                                                 
CONECT   17   15   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   18   23                                            
CONECT   23   22   24                                                 
CONECT   24   23                                                      
CONECT   25    7   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28    7                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0HM6Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.062  -1.072   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.650  -1.786   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.825  -1.786   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.412  -1.072   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.825  -0.357   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.650  -0.357   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.412  -1.072   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.825  -0.357   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.825  -1.786   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.650  -1.786   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.062  -2.501   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.888  -2.501   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.300  -1.786   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.888  -1.072   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.062  -1.072   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.125  -1.786   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       4.537  -2.501   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       4.537  -1.072   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       4.125  -0.357   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1      -2.888  -1.072   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.300  -0.357   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.125  -0.357   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.537  -1.072   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.125  -1.786   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.300  -1.786   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       1.650  -0.357   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.062   0.357   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.650   1.072   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.825   1.072   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.412   0.357   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       2.062   1.786   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       1.650   2.501   0.000  1.00  0.00           C  
CONECT    1    2    6   20                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   26   30                                            
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18                                                      
CONECT   20    1   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26    8   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29    8                                                 
CONECT   31   28   32                                                 
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0HN5O
  -OEChem-09301911232D

 47 49  0     1  0  0  0  0  0999 V2000
    2.5369    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5790    3.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9590    2.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584   -2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569   -3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 44  1  0  0  0  0
  2 13  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 29  1  0  0  0  0
  4 10  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 16  2  0  0  0  0
  8 17  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 15  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 18  1  0  0  0  0
 16 37  1  0  0  0  0
 17 19  2  0  0  0  0
 17 38  1  0  0  0  0
 18 22  2  0  0  0  0
 18 39  1  0  0  0  0
 19 22  1  0  0  0  0
 19 40  1  0  0  0  0
 20 23  1  0  0  0  0
 20 41  1  0  0  0  0
 21 24  2  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 25  2  0  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
M  END

$$$$
D0HO0I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.367  -0.523   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.367   0.302   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.653   0.714   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.062   0.302   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.062  -0.523   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.653  -0.936   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.082  -0.936   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.776   0.714   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.491   0.302   0.000  1.00  0.00           C  
HETATM   10  S   UNL     1       1.577  -0.519   0.000  1.00  0.00           S  
HETATM   11  C   UNL     1       2.384  -0.690   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.796   0.024   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.244   0.637   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       2.416   1.444   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1       2.719  -1.444   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1      -2.082   0.714   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.796  -0.523   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   16                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1   17                                                 
CONECT    8    4    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12    9   14                                            
CONECT   14   13                                                      
CONECT   15   11                                                      
CONECT   16    2                                                      
CONECT   17    7                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D0HO1Q
  -OEChem-09301911192D

 61 65  0     1  0  0  0  0  0999 V2000
    2.6689    3.1861    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.7058    2.6060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.8581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7058   -0.3940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3089   -0.5611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719    1.1060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3100    0.6060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8936   -0.1988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5830    2.3612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9038   -1.4689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9151   -1.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719    0.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8398    0.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8398    1.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8173   -1.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7992   -2.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7058    1.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8936    1.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4379    1.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100    0.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100   -0.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6044    2.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100   -1.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -0.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -1.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100   -1.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100   -1.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9366    1.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2938    3.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100   -2.8581    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9581    2.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3153    3.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -3.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6474    2.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2986   -1.4319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9160   -1.9859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5652   -2.4420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3837   -2.1278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0695   -1.3092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1826   -2.3986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7344   -3.0800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4159   -2.5282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7479    1.0690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9748    1.9160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279    2.1429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4177    1.2165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7274    0.8180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9970    2.8227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9300   -1.1261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.2769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1200   -2.5290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6900   -1.1261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292    1.2338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7078    3.9794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.3212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5440    1.5679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1227    4.3135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2731   -4.0342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200   -4.2611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3469   -3.4142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 34  1  0  0  0  0
  2 17  2  0  0  0  0
  3 30  1  0  0  0  0
  3 61  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 10  1  0  0  0  0
  5 12  2  0  0  0  0
  6 12  1  0  0  0  0
  6 17  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  7 20  1  0  0  0  0
  8 13  2  0  0  0  0
  9 18  1  0  0  0  0
  9 22  1  0  0  0  0
  9 48  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 13 14  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 21  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 28  2  0  0  0  0
 22 29  1  0  0  0  0
 23 26  1  0  0  0  0
 23 49  1  0  0  0  0
 24 27  2  0  0  0  0
 24 50  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 30  1  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
 28 31  1  0  0  0  0
 28 53  1  0  0  0  0
 29 32  2  0  0  0  0
 29 54  1  0  0  0  0
 30 33  1  0  0  0  0
 30 55  1  0  0  0  0
 31 34  2  0  0  0  0
 31 56  1  0  0  0  0
 32 34  1  0  0  0  0
 32 57  1  0  0  0  0
 33 58  1  0  0  0  0
 33 59  1  0  0  0  0
 33 60  1  0  0  0  0
M  END

$$$$
D0HO5B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.024  -1.547   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.024  -2.372   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.310  -2.784   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.596  -2.372   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.596  -1.547   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.310  -1.134   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.811  -2.627   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.326  -1.959   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.811  -1.292   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.501  -1.959   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.556  -0.507   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.749  -0.336   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.136  -0.888   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.579  -0.475   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.407   0.332   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.413   0.418   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.826   1.133   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.332  -0.811   0.000  1.00  0.00           C  
HETATM   19  F   UNL     1      -4.739  -1.134   0.000  1.00  0.00           F  
HETATM   20  C   UNL     1       0.959   0.945   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       1.766   0.773   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1       0.704   1.730   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       2.318   1.386   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.021  -0.011   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.828  -0.183   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.063   2.171   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       2.615   2.784   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       3.422   2.613   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.677   1.828   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       4.484   1.657   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       4.739   0.872   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.187   0.259   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       3.380   0.430   0.000  1.00  0.00           O  
CONECT    1    2    6   19                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5   11                                            
CONECT   10    8                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16   20                                            
CONECT   16   15   12   17                                            
CONECT   17   16                                                      
CONECT   18   14                                                      
CONECT   19    1                                                      
CONECT   20   15   21   22                                            
CONECT   21   20   23   24                                            
CONECT   22   20                                                      
CONECT   23   21   26                                                 
CONECT   24   21   25                                                 
CONECT   25   24   33                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   25   32                                                 
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0HO8O
  -OEChem-09301911242D

 52 54  0     1  0  0  0  0  0999 V2000
    2.5369    2.4330    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9473   -2.8717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690   -0.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7690    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.1651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.4330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0309   -2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8969   -3.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8969   -2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0309   -2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5309   -2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5309   -2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4330    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9473   -1.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.9330    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350   -1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2690    2.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8704   -2.3341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6848   -4.0156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5075   -3.5407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5075   -2.3253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6848   -1.8504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4483   -3.1451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1385   -3.5436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1135   -1.8549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4232   -1.4564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456   -0.1746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471    0.5156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1399   -0.6729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0135    1.8254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6150    2.5156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.6870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1490   -0.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1569    3.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    4.0530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9169    3.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8059    1.8551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5790    2.7020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320    2.4751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 25  1  0  0  0  0
  2 13  1  0  0  0  0
  2 20  1  0  0  0  0
 14  3  1  6  0  0  0
  3 45  1  0  0  0  0
  4 22  1  0  0  0  0
  4 26  1  0  0  0  0
  5 22  2  0  0  0  0
 18  6  1  1  0  0  0
  6 43  1  0  0  0  0
  6 44  1  0  0  0  0
  7 19  2  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 16  2  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 14 22  1  0  0  0  0
 15 19  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 39  1  0  0  0  0
 20 23  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 23 24  2  0  0  0  0
 23 42  1  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
 26 52  1  0  0  0  0
M  END

$$$$
D0HO8V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.085   1.255   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.392   0.581   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.101  -0.080   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.883   0.184   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.873   1.009   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       1.670  -0.061   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       2.147   0.612   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.654   1.274   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.899   2.062   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.935  -0.842   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.144  -0.868   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.949  -1.049   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.194  -1.837   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.635  -2.443   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.170  -2.262   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.415  -1.474   0.000  1.00  0.00           C  
HETATM   17 CL   UNL     1      -0.880  -3.231   0.000  1.00  0.00          Cl  
HETATM   18  O   UNL     1      -0.179   2.036   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.217   0.571   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.642   1.278   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1      -2.467   1.278   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.866   0.571   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.441  -0.135   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.616  -0.135   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.847  -0.854   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.016   1.876   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -3.754   1.539   0.000  1.00  0.00           N  
HETATM   28  N   UNL     1      -3.662   0.733   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.852   2.685   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1      -2.070   2.947   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -3.470   3.231   0.000  1.00  0.00           F  
HETATM   32  C   UNL     1       2.704   2.243   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       3.264   1.637   0.000  1.00  0.00           O  
HETATM   34  N   UNL     1       2.950   3.031   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       3.754   3.212   0.000  1.00  0.00           C  
CONECT    1    2    5   18                                            
CONECT    2    1    3   19                                            
CONECT    3    2    4   11                                            
CONECT    4    3    5    6                                            
CONECT    5    4    1    8                                            
CONECT    6    4    7   10                                            
CONECT    7    6    8                                                 
CONECT    8    7    5    9                                            
CONECT    9    8   32                                                 
CONECT   10    6                                                      
CONECT   11    3   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   14                                                      
CONECT   18    1                                                      
CONECT   19    2   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23   28                                            
CONECT   23   22   24   25                                            
CONECT   24   23   19                                                 
CONECT   25   23                                                      
CONECT   26   21   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   22                                                 
CONECT   29   26   30   31                                            
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32    9   33   34                                            
CONECT   33   32                                                      
CONECT   34   32   35                                                 
CONECT   35   34                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0HP8K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.061   2.353   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.061   1.528   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.776   1.115   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.490   1.528   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.490   2.353   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.776   2.765   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       3.204   2.765   0.000  1.00  0.00           O  
HETATM    8  N   UNL     1       1.776   0.290   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.061  -0.122   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.061  -0.947   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.776  -1.360   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.490  -0.947   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.490  -0.122   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.061  -1.772   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.346  -1.360   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1       1.061  -2.597   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1       2.490  -1.772   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       3.204  -1.360   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.346   1.115   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.368   1.528   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.082   1.115   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.368   2.353   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.836   1.451   0.000  1.00  0.00           C  
HETATM   24  S   UNL     1      -2.388   0.838   0.000  1.00  0.00           S  
HETATM   25  C   UNL     1      -1.976   0.123   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.169   0.295   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.311  -0.631   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.118  -0.802   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.204  -1.623   0.000  1.00  0.00           N  
HETATM   30  N   UNL     1      -2.451  -1.958   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -1.899  -1.345   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.279  -2.765   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   19                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    3    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14   17                                       
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15   16                                            
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17   11   18                                                 
CONECT   18   17                                                      
CONECT   19    2   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   23   26                                            
CONECT   22   20                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   21                                                 
CONECT   27   25   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30   27                                                 
CONECT   32   30                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END

$$$$

$$$$

$$$$
D0HR6P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.551   0.240   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.551  -0.585   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.837  -0.997   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.122  -0.585   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.122   0.240   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.837   0.653   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.408   0.653   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.306   0.240   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.021   0.653   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.736   0.240   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.450   0.653   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.450   1.478   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.736   1.890   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.021   1.478   0.000  1.00  0.00           C  
HETATM   15 CL   UNL     1       3.164   0.240   0.000  1.00  0.00          Cl  
HETATM   16  N   UNL     1      -3.164  -1.137   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1      -2.829  -1.890   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.008  -1.804   0.000  1.00  0.00           C  
HETATM   19  F   UNL     1       3.164   1.890   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   16                                            
CONECT    3    2    4   18                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13   19                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   11                                                      
CONECT   16    2   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17    3                                                 
CONECT   19   12                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D0HR8Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.037  -0.208   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.037  -1.033   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.323  -1.445   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.608  -1.033   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.608  -0.208   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.323   0.205   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.894  -1.445   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.179  -1.033   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.179  -0.208   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.894   0.205   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.465   0.205   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.465   1.030   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.179   1.442   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.894   1.030   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.320  -0.050   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.805   0.617   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.320   1.285   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.752  -1.445   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.894  -2.270   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.465  -1.445   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.179  -2.683   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.575   2.070   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.023   2.683   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.382   2.241   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.934   1.628   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.741   1.799   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       3.354   1.247   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -2.608   0.617   0.000  1.00  0.00           C  
HETATM   29  H   UNL     1      -2.608  -1.858   0.000  1.00  0.00           H  
HETATM   30  C   UNL     1      -0.379   1.850   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       2.954   2.596   0.000  1.00  0.00           O  
HETATM   32  S   UNL     1       4.138   1.502   0.000  1.00  0.00           S  
HETATM   33  C   UNL     1       4.752   0.950   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       4.310   2.309   0.000  1.00  0.00           O  
HETATM   35  O   UNL     1       4.138   0.677   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7   29                                       
CONECT    5    4    6   10   28                                       
CONECT    6    5    1                                                 
CONECT    7    4    8   19                                            
CONECT    8    7    9   20                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12   15                                            
CONECT   12   11   13   17   30                                       
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   22                                            
CONECT   18    2                                                      
CONECT   19    7   21                                                 
CONECT   20    8                                                      
CONECT   21   19                                                      
CONECT   22   17   23   24                                            
CONECT   23   22                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   31                                            
CONECT   27   26   32                                                 
CONECT   28    5                                                      
CONECT   29    4                                                      
CONECT   30   12                                                      
CONECT   31   26                                                      
CONECT   32   27   33   34   35                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0HS1D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.001  -0.151   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.716   0.262   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.430  -0.151   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       2.144   0.262   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.713   0.262   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.713   1.087   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.428   1.499   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.142   1.087   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.142   0.262   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.428  -0.151   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.840   2.213   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.015   2.213   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.857  -0.151   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.857  -0.976   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.142  -1.389   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.428  -0.976   0.000  1.00  0.00           C  
HETATM   17  H   UNL     1      -3.571   0.262   0.000  1.00  0.00           H  
HETATM   18  O   UNL     1       0.716   1.087   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.859  -0.151   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.573   0.262   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.573   1.087   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.859   1.499   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.144   1.087   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.859  -0.976   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.573  -1.389   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       4.288  -0.976   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       4.288  -0.151   0.000  1.00  0.00           C  
HETATM   28  H   UNL     1       3.573  -2.213   0.000  1.00  0.00           H  
HETATM   29  O   UNL     1      -4.288  -0.561   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.573  -0.973   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -3.161  -0.259   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -2.859  -1.386   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -3.986  -1.688   0.000  1.00  0.00           F  
CONECT    1    2    5                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4                                                 
CONECT    4    3   19   23                                            
CONECT    5    1    6   10                                            
CONECT    6    5    7                                                 
CONECT    7    6    8   11   12                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9    5   16                                            
CONECT   11    7                                                      
CONECT   12    7                                                      
CONECT   13    9   14   17                                            
CONECT   14   13   15   29                                            
CONECT   15   14   16                                                 
CONECT   16   15   10                                                 
CONECT   17   13                                                      
CONECT   18    2                                                      
CONECT   19    4   20   24                                            
CONECT   20   19   21   27                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22    4                                                 
CONECT   24   19   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   20                                                 
CONECT   28   25                                                      
CONECT   29   14   30                                                 
CONECT   30   29   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0HS2J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.035   0.110   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.035  -0.715   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.320  -1.127   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.394  -0.715   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.394   0.110   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.320   0.523   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.819   0.365   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.304  -0.302   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.819  -0.970   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1       1.109   0.523   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.823   0.110   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.910  -0.710   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       2.717  -0.882   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       3.129  -0.167   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       2.577   0.446   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.074   1.150   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.522   1.763   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.715   1.591   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.163   2.205   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.418   2.989   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.225   3.161   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.777   2.548   0.000  1.00  0.00           N  
HETATM   23  F   UNL     1       0.134   3.602   0.000  1.00  0.00           F  
HETATM   24  C   UNL     1      -3.129  -0.302   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.320  -1.952   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       0.394  -2.365   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       0.394  -3.190   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.109  -3.602   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       1.823  -3.190   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       1.823  -2.365   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.109  -1.952   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.052  -1.635   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.881   1.321   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   25                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    1    8   16                                            
CONECT    8    7    9   24                                            
CONECT    9    8    2                                                 
CONECT   10    5   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   32                                            
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16    7   17   33                                            
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   20                                                      
CONECT   24    8                                                      
CONECT   25    3   26                                                 
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   13                                                      
CONECT   33   16                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0HS8T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.947   2.426   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.122   2.426   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.710   1.711   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.122   0.997   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.947   0.997   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.360   1.711   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.115   1.711   0.000  1.00  0.00           C  
HETATM    8  I   UNL     1       3.528   1.711   0.000  1.00  0.00           I  
HETATM    9  N   UNL     1      -0.600   2.379   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.385   2.124   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.385   1.299   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.600   1.044   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.099   2.536   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.814   2.124   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.814   1.299   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.099   0.886   0.000  1.00  0.00           C  
HETATM   17 CL   UNL     1      -3.528   0.886   0.000  1.00  0.00          Cl  
HETATM   18  C   UNL     1      -0.345   0.259   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.897  -0.354   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.704  -0.182   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1      -0.642  -1.139   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       0.165  -1.310   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.194  -1.752   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.419  -2.095   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.940  -2.536   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    3    9   12                                            
CONECT    8    6                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12   16                                            
CONECT   12   11    7   18                                            
CONECT   13   10   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   11                                                 
CONECT   17   15                                                      
CONECT   18   12   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19                                                      
CONECT   21   19   22   23                                            
CONECT   22   21   24                                                 
CONECT   23   21   25                                                 
CONECT   24   22                                                      
CONECT   25   23                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0HT9Q
  -OEChem-09301911192D

 29 30  0     0  0  0  0  0  0999 V2000
    5.1920    1.6639    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.9239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.4239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.4239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.9239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8100    1.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5010    2.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010    2.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9132    3.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131   -0.5065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116    0.1837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3997    1.4723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8655    3.1165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -1.6139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4148    3.7884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5488    3.9255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4117    3.0595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.0439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2 17  1  0  0  0  0
  2 29  1  0  0  0  0
  3 17  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 20  1  0  0  0  0
  5 13  2  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  2  0  0  0  0
  8 11  2  0  0  0  0
  8 13  1  0  0  0  0
  9 12  1  0  0  0  0
  9 21  1  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 17  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  2  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
M  END

$$$$
D0HV0D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.715  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.000   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.714  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.714  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.000  -1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.715  -1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.428   0.206   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.429   0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.143  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.857   0.206   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.857   1.031   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.143   1.443   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.429   1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.428   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.143   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.857   1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.857   0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM   19  F   UNL     1       0.000   1.031   0.000  1.00  0.00           F  
HETATM   20  C   UNL     1       2.143  -1.031   0.000  1.00  0.00           C  
CONECT    1    2    6    8                                            
CONECT    2    1    3   19                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3   14   18                                            
CONECT    8    1    9   13                                            
CONECT    9    8   10   20                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    7   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17    7                                                 
CONECT   19    2                                                      
CONECT   20    9                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0HV0Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.838   0.443   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.838  -0.379   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.126  -0.790   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.414  -0.379   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.414   0.443   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.126   0.854   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.632  -0.633   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.149   0.032   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.632   0.697   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1      -0.378  -1.415   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1       0.673   0.032   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.426  -1.586   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.680  -2.368   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.484  -2.539   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.034  -1.928   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.780  -1.146   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.976  -0.975   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.126   1.676   0.000  1.00  0.00           C  
HETATM   19  F   UNL     1       1.738  -3.321   0.000  1.00  0.00           F  
HETATM   20  F   UNL     1       2.838  -2.099   0.000  1.00  0.00           F  
HETATM   21  C   UNL     1      -1.414   2.087   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.414   2.909   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.126   3.321   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.838   2.909   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.838   2.087   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   18                                            
CONECT    7    4    8   10                                            
CONECT    8    7    9   11                                            
CONECT    9    8    5                                                 
CONECT   10    7   12                                                 
CONECT   11    8                                                      
CONECT   12   10   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    6   21   25                                            
CONECT   19   14                                                      
CONECT   20   15                                                      
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   18                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0HV7T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.365   1.237   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.365   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.650  -0.001   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.936   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.936   1.237   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.650   1.649   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.221   1.649   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.221  -0.001   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.221  -0.826   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.507  -1.238   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.507  -2.063   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.207  -2.476   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.922  -2.063   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.922  -1.238   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.207  -0.826   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.507   1.237   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.207   1.649   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.207   2.474   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.507   2.887   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.221   2.474   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.922   2.887   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.637   2.474   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1       0.922   3.712   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       1.637  -2.476   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.637  -3.301   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.351  -3.713   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.065  -3.301   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.065  -2.476   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.351  -2.063   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.351   2.887   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.065   2.474   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.351  -1.238   0.000  1.00  0.00           C  
HETATM   33 CL   UNL     1       3.780  -3.713   0.000  1.00  0.00          Cl  
HETATM   34  O   UNL     1      -0.507   0.412   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       3.778   2.888   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1       3.778   3.713   0.000  1.00  0.00           O  
HETATM   37  O   UNL     1       4.492   2.476   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1      -4.080   1.651   0.000  1.00  0.00           C  
HETATM   39  F   UNL     1      -3.667   2.365   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1      -3.365   1.238   0.000  1.00  0.00           F  
HETATM   41  F   UNL     1      -4.492   0.936   0.000  1.00  0.00           F  
CONECT    1    2    6   38                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5   16   20                                            
CONECT    8    4    9   34                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   24                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    7   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19    7                                                 
CONECT   21   18   22   23                                            
CONECT   22   21   30                                                 
CONECT   23   21                                                      
CONECT   24   13   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   33                                            
CONECT   28   27   29                                                 
CONECT   29   28   24   32                                            
CONECT   30   22   31                                                 
CONECT   31   30   35                                                 
CONECT   32   29                                                      
CONECT   33   27                                                      
CONECT   34    8                                                      
CONECT   35   31   36   37                                            
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38    1   39   40   41                                       
CONECT   39   38                                                      
CONECT   40   38                                                      
CONECT   41   38                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D0HW8T
  -OEChem-09301911192D

 66 68  0     1  0  0  0  0  0999 V2000
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    7.2469   -3.5252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7469    4.0136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7110   -4.5252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7110   -6.5252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836    6.4407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9790   -4.5252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4379    3.0626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0559    3.0626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    6.2316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    5.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3809   -0.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2469   -0.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1130   -0.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1130   -3.0252    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2469    1.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5149   -0.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1130   -2.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3809    0.9748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5768    5.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1130    0.9748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    6.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    7.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9790   -3.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1646    4.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2469    2.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1591    4.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9790   -0.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6489   -0.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7469    4.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5659    5.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9781    6.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8450   -5.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8450   -6.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7424    5.6652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250    5.1508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7532    4.8266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5760   -2.7152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1163   -1.0001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9134   -1.0001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7235   -2.1328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3250   -1.4426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8440    1.2848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6499    1.2848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9352    6.7437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    6.0623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648    5.5105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9677    6.8930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    7.7116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8349    7.3974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5895   -3.6328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1910   -2.9426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9124    4.1517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6690   -1.0621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5159   -0.8352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2890    0.0117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9588    0.5117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1119    0.2848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3388   -0.5621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1825    5.8010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4420   -4.8352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2303    7.1116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2469   -4.1452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2344   -5.9175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6329   -6.6078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7110   -7.1452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 18  1  0  0  0  0
 15  2  1  6  0  0  0
  2 63  1  0  0  0  0
  3  9  1  0  0  0  0
  3 30  1  0  0  0  0
  4 33  2  0  0  0  0
  5 34  1  0  0  0  0
  5 66  1  0  0  0  0
  6 20  2  0  0  0  0
  6 32  1  0  0  0  0
  7 24  1  0  0  0  0
  7 33  1  0  0  0  0
  7 61  1  0  0  0  0
  8 26  1  0  0  0  0
  8 30  2  0  0  0  0
  9 26  2  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 35  1  0  0  0  0
 11 20  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 14 21  2  0  0  0  0
 14 28  1  0  0  0  0
 15 18  1  0  0  0  0
 15 24  1  0  0  0  0
 15 38  1  0  0  0  0
 16 19  2  0  0  0  0
 16 21  1  0  0  0  0
 16 26  1  0  0  0  0
 17 29  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 25  1  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
 25 27  2  0  0  0  0
 25 53  1  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
 28 54  1  0  0  0  0
 28 55  1  0  0  0  0
 28 56  1  0  0  0  0
 29 57  1  0  0  0  0
 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
 31 32  2  0  0  0  0
 31 60  1  0  0  0  0
 32 62  1  0  0  0  0
 33 34  1  0  0  0  0
 34 64  1  0  0  0  0
 34 65  1  0  0  0  0
M  END

$$$$
D0HX9S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.988   1.527   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.988   0.702   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.703   0.290   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       3.417   0.702   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       3.417   1.527   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       2.703   1.940   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       1.204   1.782   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.719   1.115   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1       1.204   0.447   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1      -0.106   1.115   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.519   1.829   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.344   1.829   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.756   1.115   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.344   0.400   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.519   0.400   0.000  1.00  0.00           C  
HETATM   16  F   UNL     1      -2.581   1.115   0.000  1.00  0.00           F  
HETATM   17  S   UNL     1       2.703  -0.535   0.000  1.00  0.00           S  
HETATM   18  C   UNL     1       1.988  -0.948   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.234  -0.612   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       0.682  -1.225   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       1.095  -1.940   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1       1.902  -1.768   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.138  -1.139   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.474  -0.385   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.294  -0.299   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.779  -0.967   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.443  -1.720   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.623  -1.806   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.599  -0.880   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1      -2.514  -0.063   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -3.417  -0.794   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -2.685  -1.698   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   17                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13                                                      
CONECT   17    3   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   18                                                 
CONECT   23   20   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   29   25   27                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   30   31   32   26                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0HY0H
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.581  -0.139   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.363   0.115   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.534   0.919   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.923   1.469   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.141   1.215   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.970   0.411   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.410  -0.943   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.659  -1.278   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1       0.745  -2.095   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1       1.549  -2.266   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.960  -1.554   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       2.778  -1.468   0.000  1.00  0.00           O  
HETATM   13  N   UNL     1      -0.053  -0.867   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -0.053  -0.044   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.765   0.367   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.477  -0.044   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.765   1.189   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.228   0.290   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.778  -0.321   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.367  -1.033   0.000  1.00  0.00           C  
HETATM   21  S   UNL     1      -1.563  -0.862   0.000  1.00  0.00           S  
HETATM   22 CL   UNL     1      -2.701  -1.784   0.000  1.00  0.00          Cl  
HETATM   23  F   UNL     1       2.136   2.266   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   23                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8   11                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    7   12                                            
CONECT   12   11                                                      
CONECT   13    8   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   18   21                                            
CONECT   17   15                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   16                                                 
CONECT   22   20                                                      
CONECT   23    4                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0HY3K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -0.742   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786  -0.329   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.072  -0.742   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.357  -0.329   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1      -1.786   0.496   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1       0.357  -0.742   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.072  -0.329   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.072   0.496   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.357   0.908   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.357   0.496   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       1.786   0.908   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       1.786   1.733   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.786  -0.742   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.872  -1.562   0.000  1.00  0.00           N  
HETATM   15  N   UNL     1       2.679  -1.734   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       3.092  -1.019   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.540  -0.406   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.215  -0.329   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.930  -0.742   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.930  -1.567   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.215  -1.979   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.501  -1.567   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.501   2.146   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       3.215   1.733   0.000  1.00  0.00           N  
HETATM   25  O   UNL     1      -4.644  -0.329   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.644   0.496   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.215   0.908   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.930   0.496   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       4.644   0.908   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       4.644   1.733   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.930   2.146   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.289  -2.146   0.000  1.00  0.00           C  
CONECT    1    2   18   22                                            
CONECT    2    1    3    5                                            
CONECT    3    2    4                                                 
CONECT    4    3    6   10                                            
CONECT    5    2                                                      
CONECT    6    4    7                                                 
CONECT    7    6    8   13                                            
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    8   12                                                 
CONECT   12   11   23                                                 
CONECT   13    7   14   17                                            
CONECT   14   13   15   32                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   13                                                 
CONECT   18    1   19                                                 
CONECT   19   18   20   25                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21    1                                                 
CONECT   23   12   24                                                 
CONECT   24   23   27   31                                            
CONECT   25   19   26                                                 
CONECT   26   25                                                      
CONECT   27   24   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   24                                                 
CONECT   32   14                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0HY5Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -7.201   0.081   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -7.201  -0.744   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.416  -0.999   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.931  -0.332   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -6.416   0.336   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.814  -1.296   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.642  -2.103   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.857  -2.358   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.244  -1.806   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.598  -1.041   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.770  -0.234   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.554   0.021   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1     -10.168  -0.531   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.996  -1.338   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.211  -1.593   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.161   1.120   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -5.376   1.375   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -5.376   2.200   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.161   2.455   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.646   1.788   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.793   0.792   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.968   0.792   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.385   1.375   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.385   2.200   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.968   2.784   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.793   2.784   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.623   2.516   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.783   3.325   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1      -5.109   0.030   0.000  1.00  0.00           O  
HETATM   30  N   UNL     1      -3.652   0.030   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.834  -0.078   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.332   0.577   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -2.519  -0.840   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.021  -1.495   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1      -1.701  -0.948   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1      -1.385  -1.710   0.000  1.00  0.00           C  
HETATM   37  N   UNL     1       7.201   0.081   0.000  1.00  0.00           N  
HETATM   38  C   UNL     1       7.201  -0.744   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       6.416  -0.999   0.000  1.00  0.00           C  
HETATM   40  N   UNL     1       5.931  -0.332   0.000  1.00  0.00           N  
HETATM   41  C   UNL     1       6.416   0.336   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       7.814  -1.296   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       7.642  -2.103   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       6.857  -2.358   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1       6.244  -1.806   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1       8.598  -1.041   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1       8.770  -0.234   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1       9.554   0.021   0.000  1.00  0.00           C  
HETATM   49  C   UNL     1      10.168  -0.531   0.000  1.00  0.00           C  
HETATM   50  C   UNL     1       9.996  -1.338   0.000  1.00  0.00           C  
HETATM   51  C   UNL     1       9.211  -1.593   0.000  1.00  0.00           C  
HETATM   52  C   UNL     1       6.161   1.120   0.000  1.00  0.00           C  
HETATM   53  N   UNL     1       5.376   1.375   0.000  1.00  0.00           N  
HETATM   54  C   UNL     1       5.376   2.200   0.000  1.00  0.00           C  
HETATM   55  C   UNL     1       6.161   2.455   0.000  1.00  0.00           C  
HETATM   56  C   UNL     1       6.646   1.788   0.000  1.00  0.00           C  
HETATM   57  C   UNL     1       4.793   0.792   0.000  1.00  0.00           C  
HETATM   58  C   UNL     1       3.968   0.792   0.000  1.00  0.00           C  
HETATM   59  C   UNL     1       3.385   1.375   0.000  1.00  0.00           C  
HETATM   60  N   UNL     1       3.385   2.200   0.000  1.00  0.00           N  
HETATM   61  C   UNL     1       3.968   2.784   0.000  1.00  0.00           C  
HETATM   62  C   UNL     1       4.793   2.784   0.000  1.00  0.00           C  
HETATM   63  C   UNL     1       2.623   2.516   0.000  1.00  0.00           C  
HETATM   64  O   UNL     1       2.783   3.325   0.000  1.00  0.00           O  
HETATM   65  O   UNL     1       5.109   0.030   0.000  1.00  0.00           O  
HETATM   66  N   UNL     1       3.652   0.030   0.000  1.00  0.00           N  
HETATM   67  C   UNL     1       2.834  -0.078   0.000  1.00  0.00           C  
HETATM   68  O   UNL     1       2.332   0.577   0.000  1.00  0.00           O  
HETATM   69  C   UNL     1       2.519  -0.840   0.000  1.00  0.00           C  
HETATM   70  C   UNL     1       3.021  -1.495   0.000  1.00  0.00           C  
HETATM   71  N   UNL     1       1.701  -0.948   0.000  1.00  0.00           N  
HETATM   72  C   UNL     1       1.385  -1.710   0.000  1.00  0.00           C  
HETATM   73  C   UNL     1       3.373  -3.325   0.000  1.00  0.00           C  
HETATM   74  C   UNL     1       2.548  -3.325   0.000  1.00  0.00           C  
HETATM   75  C   UNL     1       2.135  -2.611   0.000  1.00  0.00           C  
HETATM   76  C   UNL     1       1.310  -2.611   0.000  1.00  0.00           C  
HETATM   77  O   UNL     1       0.898  -1.896   0.000  1.00  0.00           O  
HETATM   78  C   UNL     1       0.073  -1.896   0.000  1.00  0.00           C  
HETATM   79  C   UNL     1      -0.340  -1.182   0.000  1.00  0.00           C  
HETATM   80  C   UNL     1      -1.165  -1.182   0.000  1.00  0.00           C  
HETATM   81  C   UNL     1      -1.577  -0.467   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    1   16                                            
CONECT    6    2    7   10                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    3                                                 
CONECT   10    6   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    5   17   20                                            
CONECT   17   16   18   21                                            
CONECT   18   17   19   26                                            
CONECT   19   18   20                                                 
CONECT   20   19   16                                                 
CONECT   21   17   22   29                                            
CONECT   22   21   23   30                                            
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   18                                                 
CONECT   27   24   28   73                                            
CONECT   28   27                                                      
CONECT   29   21                                                      
CONECT   30   22   31                                                 
CONECT   31   30   32   33                                            
CONECT   32   31                                                      
CONECT   33   31   34   35                                            
CONECT   34   33                                                      
CONECT   35   33   36                                                 
CONECT   36   35                                                      
CONECT   37   38   41                                                 
CONECT   38   37   39   42                                            
CONECT   39   38   40   45                                            
CONECT   40   39   41                                                 
CONECT   41   40   37   52                                            
CONECT   42   38   43   46                                            
CONECT   43   42   44                                                 
CONECT   44   43   45                                                 
CONECT   45   44   39                                                 
CONECT   46   42   47   51                                            
CONECT   47   46   48                                                 
CONECT   48   47   49                                                 
CONECT   49   48   50                                                 
CONECT   50   49   51                                                 
CONECT   51   50   46                                                 
CONECT   52   41   53   56                                            
CONECT   53   52   54   57                                            
CONECT   54   53   55   62                                            
CONECT   55   54   56                                                 
CONECT   56   55   52                                                 
CONECT   57   53   58   65                                            
CONECT   58   57   59   66                                            
CONECT   59   58   60                                                 
CONECT   60   59   61   63                                            
CONECT   61   60   62                                                 
CONECT   62   61   54                                                 
CONECT   63   60   64   81                                            
CONECT   64   63                                                      
CONECT   65   57                                                      
CONECT   66   58   67                                                 
CONECT   67   66   68   69                                            
CONECT   68   67                                                      
CONECT   69   67   70   71                                            
CONECT   70   69                                                      
CONECT   71   69   72                                                 
CONECT   72   71                                                      
CONECT   73   27   74                                                 
CONECT   74   73   75                                                 
CONECT   75   74   76                                                 
CONECT   76   75   77                                                 
CONECT   77   76   78                                                 
CONECT   78   77   79                                                 
CONECT   79   78   80                                                 
CONECT   80   79   81                                                 
CONECT   81   63   80                                                 
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
M  END

$$$$
D0HZ1Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.841   0.192   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.127   0.605   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.412   0.192   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.302   0.605   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       1.016   0.192   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.556   0.605   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.731   0.605   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.556   0.605   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       2.143   1.319   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       3.270   0.192   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       3.270  -0.633   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       3.985   0.605   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1       1.016  -0.633   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1      -1.127   1.430   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.412  -0.633   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.556   1.430   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.270   1.842   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.985   1.430   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.985   0.605   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.270   0.192   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1      -3.270  -0.633   0.000  1.00  0.00           F  
HETATM   22  F   UNL     1      -1.841   1.842   0.000  1.00  0.00           F  
HETATM   23  C   UNL     1      -1.127  -1.045   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.952  -1.045   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.913  -1.842   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   14                                            
CONECT    3    2    4   15                                            
CONECT    4    3    5                                                 
CONECT    5    4    7   13                                            
CONECT    6    1   16   20                                            
CONECT    7    5    8    9                                            
CONECT    8    7    9   10                                            
CONECT    9    8    7                                                 
CONECT   10    8   11   12                                            
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13    5                                                      
CONECT   14    2                                                      
CONECT   15    3   23                                                 
CONECT   16    6   17   22                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19    6   21                                            
CONECT   21   20                                                      
CONECT   22   16                                                      
CONECT   23   15   24   25                                            
CONECT   24   23                                                      
CONECT   25   23                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0HZ7J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.405   1.103   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.405   0.278   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.691  -0.135   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.976   0.278   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.976   1.103   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.691   1.515   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -6.120  -0.135   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -6.120  -0.960   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.262   1.515   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.547   1.103   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.262  -0.135   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.547   0.278   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.833   1.515   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.119   1.103   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1      -1.833   2.340   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1      -3.262  -0.960   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.845  -1.543   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.471  -2.278   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.656  -2.149   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.527  -1.334   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.730  -1.121   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.147  -1.704   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.412  -1.330   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.541  -0.515   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.355  -0.386   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       0.385  -1.543   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       0.969  -0.960   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       1.766  -1.173   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.349  -0.590   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.146  -0.804   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.729  -0.220   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.526  -0.434   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.740  -1.231   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       5.537  -1.444   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       6.120  -0.861   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       5.906  -0.064   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       5.109   0.150   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1       0.599  -2.340   0.000  1.00  0.00           O  
HETATM   39  S   UNL     1      -0.404   1.515   0.000  1.00  0.00           S  
HETATM   40  C   UNL     1       0.310   1.928   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       1.025   1.515   0.000  1.00  0.00           C  
HETATM   42  O   UNL     1       0.008   0.801   0.000  1.00  0.00           O  
HETATM   43  O   UNL     1      -0.817   2.230   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   11                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7                                                      
CONECT    9    5   10                                                 
CONECT   10    9   13                                                 
CONECT   11    4   12   16                                            
CONECT   12   11                                                      
CONECT   13   10   14   15                                            
CONECT   14   13   39                                                 
CONECT   15   13                                                      
CONECT   16   11   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   16   21                                            
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
CONECT   26   23   27   38                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   37                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   32                                                 
CONECT   38   26                                                      
CONECT   39   14   40   42   43                                       
CONECT   40   39   41                                                 
CONECT   41   40                                                      
CONECT   42   39                                                      
CONECT   43   39                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
M  END

$$$$
D0I0BN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.281   0.100   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.281  -0.725   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.567  -1.138   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.852  -0.725   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.852   0.100   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.567   0.512   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.138   0.512   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.423   0.100   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.709   0.512   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.006   0.100   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -0.709   1.337   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.006  -0.725   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.720  -1.138   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.435  -0.725   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.435   0.100   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.720   0.512   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.219  -0.980   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       2.704  -0.313   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.219   0.355   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       2.474  -1.765   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.631   0.767   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.043   0.053   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.869   0.053   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.281   0.767   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.869   1.482   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.043   1.482   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.110   0.754   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.896   1.551   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.099   1.765   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.516   1.181   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.730   0.384   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.526   0.171   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   12   16                                            
CONECT   11    9                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16   19                                            
CONECT   16   15   10                                                 
CONECT   17   14   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   15   21   27                                       
CONECT   20   17                                                      
CONECT   21   19   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   19   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0I0CN
  -OEChem-09301911232D

 51 54  0     1  0  0  0  0  0999 V2000
    9.3413   -1.1806    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.0213   -0.4385    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5643   -2.4677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4583    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.5369    2.4583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4600   -1.1294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690   -2.0805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0291   -0.8204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0323   -0.2295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5323   -2.7683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.9583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0780   -1.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690   -2.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5089   -0.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7722   -1.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7233   -1.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5323   -1.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0323   -0.2295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6201    0.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6146    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2133    1.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2024    1.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8011    2.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7956    2.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.5783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    2.9333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    2.9333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924    1.0660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909    0.3757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456    1.8507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471    2.5409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471    0.3757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456    1.0660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.0783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1334   -2.5821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7005   -0.2308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9193   -0.6288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3173   -1.4101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1580   -0.2140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0692   -3.0783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9953   -3.0783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5967    1.5579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8190    1.2192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5489    2.8685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1601    2.6992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 25  1  0  0  0  0
  3 20  2  0  0  0  0
  4 13  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
 11  5  1  1  0  0  0
  5 39  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  6 19  1  0  0  0  0
  7 18  2  0  0  0  0
  8 17  1  0  0  0  0
  8 20  1  0  0  0  0
  8 45  1  0  0  0  0
  9 21  1  0  0  0  0
  9 23  2  0  0  0  0
 10 22  1  0  0  0  0
 10 46  1  0  0  0  0
 10 47  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 30  1  0  0  0  0
 12 14  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 48  1  0  0  0  0
 27 29  1  0  0  0  0
 27 49  1  0  0  0  0
 28 29  2  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
M  END

$$$$
D0I0JE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.939   0.321   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.114   0.334   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.309  -0.373   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.134  -0.360   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.558  -1.068   0.000  1.00  0.00           N  
HETATM    6  CA  UNL     1       2.383  -1.055   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.807  -1.763   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       3.631  -1.750   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       0.287   1.055   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.137   1.763   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.264   2.484   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1      -0.962   1.750   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1       1.536   0.360   0.000  1.00  0.00           O  
HETATM   14  CB  UNL     1       2.784  -0.334   0.000  1.00  0.00           C  
HETATM   15  CG2 UNL     1       2.360   0.373   0.000  1.00  0.00           C  
HETATM   16  OG1 UNL     1       3.609  -0.321   0.000  1.00  0.00           O  
HETATM   17  OXT UNL     1       2.405  -2.484   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1      -1.426   0.987   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.210   0.730   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.210  -0.096   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1      -1.426  -0.348   0.000  1.00  0.00           N  
HETATM   22  CA  UNL     1      -2.878   1.213   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.631   0.876   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.878   2.038   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.593   2.451   0.000  1.00  0.00           O  
CONECT    1    2   18   21                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    6                                                 
CONECT    6    5    7   14                                            
CONECT    7    6    8   17                                            
CONECT    8    7                                                      
CONECT    9    2   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13    4                                                      
CONECT   14    6   15   16                                            
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17    7                                                      
CONECT   18    1   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20    1                                                 
CONECT   22   19   23   24                                            
CONECT   23   22                                                      
CONECT   24   22   25                                                 
CONECT   25   24                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0I0VJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.176   1.762   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.176   0.937   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.462   0.525   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.747   0.937   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.747   1.762   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.462   2.175   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.033   0.525   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.946  -0.296   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.139  -0.467   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.273   0.247   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.279   0.860   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.560  -0.848   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.344  -0.593   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.957  -1.145   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.786  -1.952   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.001  -2.207   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.388  -1.655   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -3.399  -2.504   0.000  1.00  0.00          Cl  
HETATM   19  C   UNL     1       1.093   0.333   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       1.579  -0.334   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1       1.429   1.087   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1       2.250   1.173   0.000  1.00  0.00           N  
HETATM   23 CL   UNL     1      -3.890   2.175   0.000  1.00  0.00          Cl  
HETATM   24 CL   UNL     1      -0.603  -1.910   0.000  1.00  0.00          Cl  
HETATM   25  C   UNL     1       2.735   0.506   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.555   0.592   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.890   1.346   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.406   2.013   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.585   1.927   0.000  1.00  0.00           C  
HETATM   30  S   UNL     1      -0.194   1.679   0.000  1.00  0.00           S  
HETATM   31  O   UNL     1      -1.019   1.679   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1      -0.194   2.504   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       0.631   1.679   0.000  1.00  0.00           C  
CONECT    1    2    6   23                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   19                                            
CONECT   11   10    7   30                                            
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   24                                            
CONECT   18   15                                                      
CONECT   19   10   20   21                                            
CONECT   20   19                                                      
CONECT   21   19   22                                                 
CONECT   22   21   25   29                                            
CONECT   23    1                                                      
CONECT   24   17                                                      
CONECT   25   22   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   22                                                 
CONECT   30   11   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0I1GO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.700   1.099   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.700   0.274   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.986  -0.139   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.272   0.274   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.272   1.099   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.986   1.511   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -0.557   1.511   0.000  1.00  0.00          Cl  
HETATM    8 CL   UNL     1      -3.415  -0.139   0.000  1.00  0.00          Cl  
HETATM    9  N   UNL     1      -0.557  -0.139   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1       0.157   0.274   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.872  -0.139   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.958  -0.959   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.765  -1.131   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1       2.178  -0.416   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.625   0.197   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       1.839   0.994   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       0.345  -1.511   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.002  -0.416   0.000  1.00  0.00           C  
HETATM   19  S   UNL     1       3.415   0.298   0.000  1.00  0.00           S  
HETATM   20  N   UNL     1       3.415  -1.131   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    2                                                      
CONECT    9    4   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   11   16                                            
CONECT   16   15                                                      
CONECT   17   12                                                      
CONECT   18   14   19   20                                            
CONECT   19   18                                                      
CONECT   20   18                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0I1LE
  -OEChem-09301911162D

 42 43  0     0  0  0  0  0  0999 V2000
    8.0918    0.3536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.3535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.8536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.3535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.8536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2258   -0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9670   -1.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2599    0.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8239    1.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8239    0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9578   -0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8239    2.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8239    1.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8239    1.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6899   -0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9578   -1.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6899   -1.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8239   -1.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7177   -0.5239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8065   -1.7112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5658   -1.2728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4203    0.7112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6610    0.2728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4439    2.3535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8239    2.9736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2039    2.3535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8239    0.7336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4439    1.3536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8239    1.9736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8239    1.9736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2039    1.3536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8239    0.7336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2268    0.1636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -0.3786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -0.3786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4209   -1.4564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2268   -1.4564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8239   -2.2664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  2  0  0  0  0
  3 21  1  0  0  0  0
  3 42  1  0  0  0  0
  4 21  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 18  2  0  0  0  0
 12 17  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 19  1  0  0  0  0
 16 36  1  0  0  0  0
 17 21  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 20  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  2  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
M  END

$$$$
D0I1VK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.991   1.506   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.417   0.800   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.019   0.078   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.194   0.062   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.768   0.768   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.166   1.491   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.795  -0.660   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.222  -1.367   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.046  -1.351   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.473  -2.057   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.074  -2.780   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.249  -2.796   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.823  -2.089   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.971  -0.676   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.398  -1.271   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.196  -0.676   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.398  -0.082   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.021  -0.676   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.740   2.197   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.433  -1.391   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.433   0.038   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.258   0.038   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.671   0.752   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.258   1.467   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.433   1.467   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.021   0.752   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       1.021   2.182   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       2.258  -1.391   0.000  1.00  0.00           F  
HETATM   29  C   UNL     1       1.021  -2.105   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.846  -2.105   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -0.918   2.267   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -0.731   3.071   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1      -1.437   3.497   0.000  1.00  0.00           N  
HETATM   34  N   UNL     1      -2.061   2.957   0.000  1.00  0.00           N  
HETATM   35  N   UNL     1       0.029   3.392   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1       3.494   0.755   0.000  1.00  0.00           C  
HETATM   37  N   UNL     1       2.669   0.755   0.000  1.00  0.00           N  
HETATM   38  C   UNL     1      -3.494  -3.497   0.000  1.00  0.00           C  
HETATM   39  N   UNL     1      -2.669  -3.497   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   19                                            
CONECT    7    4    8   14                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   38                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    7   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   14                                                 
CONECT   18   16   21   20                                            
CONECT   19    6   31   34                                            
CONECT   20   28   29   30   18                                       
CONECT   21   22   26   18                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   36                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   21                                                 
CONECT   27   25                                                      
CONECT   28   20                                                      
CONECT   29   20                                                      
CONECT   30   20                                                      
CONECT   31   19   32                                                 
CONECT   32   31   33   35                                            
CONECT   33   32   34                                                 
CONECT   34   33   19                                                 
CONECT   35   32                                                      
CONECT   36   23   37                                                 
CONECT   37   36                                                      
CONECT   38   11   39                                                 
CONECT   39   38                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0I1XE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.731   2.406   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.731   1.581   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.017   1.169   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.302   1.581   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.302   2.406   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.017   2.819   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.588   1.169   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.502   0.348   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.694   0.177   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.282   0.891   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.834   1.504   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.115  -0.204   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.899   0.051   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.512  -0.501   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.341  -1.308   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.556  -1.563   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.943  -1.011   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -5.446   2.819   0.000  1.00  0.00          Cl  
HETATM   19  C   UNL     1      -0.475   1.063   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.220   1.847   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.772   2.460   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.579   2.289   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1       0.077   0.450   0.000  1.00  0.00           N  
HETATM   24 CL   UNL     1      -2.158  -1.266   0.000  1.00  0.00          Cl  
HETATM   25  C   UNL     1      -0.178  -0.335   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.374  -0.948   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.181  -0.777   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.436   0.008   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.884   0.621   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       1.733  -1.390   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       2.558  -1.390   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       2.971  -0.675   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       2.971  -2.104   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.796  -2.104   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.208  -2.819   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       5.033  -2.819   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       5.446  -2.104   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       5.033  -1.390   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       4.208  -1.390   0.000  1.00  0.00           C  
CONECT    1    2    6   18                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   19                                            
CONECT   11   10    7   22                                            
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   24                                            
CONECT   18    1                                                      
CONECT   19   10   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   11                                                 
CONECT   23   19   25   29                                            
CONECT   24   17                                                      
CONECT   25   23   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   23                                                 
CONECT   30   27   31                                                 
CONECT   31   30   32   33                                            
CONECT   32   31                                                      
CONECT   33   31   34                                                 
CONECT   34   33   35   39                                            
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   34                                                 
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0I2AN
  -OEChem-09301911192D

 58 62  0     0  0  0  0  0  0999 V2000
    6.7210    4.4227    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   14.8303   -4.9774    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.1674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4939    1.8014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9939   -0.7967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    1.8627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9939    0.9354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4939    0.0694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    3.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    0.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939    1.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939    3.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4939    1.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4939    3.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9939    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9939    0.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9939   -2.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9939   -0.7967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4939    0.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4939   -3.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9939   -2.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4939   -1.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4939   -1.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9939   -0.7967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4885   -3.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0872   -4.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6964   -4.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.2874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1317    0.7196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9136    0.3229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3103    1.1048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1839    1.2645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1839    4.0704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8039    4.0704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6139    2.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6839    0.3984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6839   -3.0657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1139   -1.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8739   -1.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3039   -0.2597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8039    0.6063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    4.9774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9033   -3.0385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4807   -4.4372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2628   -4.7296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 37  1  0  0  0  0
  2 38  1  0  0  0  0
  3 20  1  0  0  0  0
  3 49  1  0  0  0  0
  4 26  1  0  0  0  0
  4 55  1  0  0  0  0
  5 26  2  0  0  0  0
  6 27  2  0  0  0  0
  7 30  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  0  0  0  0
  9 23  1  0  0  0  0
  9 27  1  0  0  0  0
  9 48  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 54  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  2  0  0  0  0
 15 21  2  0  0  0  0
 15 22  1  0  0  0  0
 16 20  1  0  0  0  0
 16 39  1  0  0  0  0
 17 19  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 20  2  0  0  0  0
 19 26  1  0  0  0  0
 21 23  1  0  0  0  0
 21 44  1  0  0  0  0
 22 24  2  0  0  0  0
 22 45  1  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 28 32  2  0  0  0  0
 28 33  1  0  0  0  0
 29 34  2  0  0  0  0
 29 35  1  0  0  0  0
 31 36  1  0  0  0  0
 31 37  2  0  0  0  0
 32 34  1  0  0  0  0
 32 50  1  0  0  0  0
 33 35  2  0  0  0  0
 33 51  1  0  0  0  0
 34 52  1  0  0  0  0
 35 53  1  0  0  0  0
 36 38  2  0  0  0  0
 36 56  1  0  0  0  0
 37 57  1  0  0  0  0
 38 58  1  0  0  0  0
M  END

$$$$
D0I2DV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.259   0.015   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.259  -0.810   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.475  -1.065   0.000  1.00  0.00           N  
HETATM    4  N   UNL     1       0.010  -0.398   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.475   0.270   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.927   0.500   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.927  -1.295   0.000  1.00  0.00           C  
HETATM    8  S   UNL     1      -0.220   1.054   0.000  1.00  0.00           S  
HETATM    9  C   UNL     1       0.577   1.268   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.161   0.685   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.957   0.898   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.171   1.695   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.588   2.279   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.791   2.065   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.841   1.320   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.508   1.805   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.262   1.470   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.348   0.649   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.680   0.164   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.680  -0.959   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.348  -1.444   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.262  -2.265   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.508  -2.600   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.841  -2.115   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       0.947  -0.112   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       1.530  -0.696   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.327  -0.482   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.541   0.315   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       2.935   1.886   0.000  1.00  0.00           N1+
HETATM   30  O   UNL     1       3.348   2.600   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       3.348   1.171   0.000  1.00  0.00           O1-
CONECT    1    2    5    6                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    1    8                                            
CONECT    6    1   15   19                                            
CONECT    7    2   20   24                                            
CONECT    8    5    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11   25                                            
CONECT   11   10   12   28                                            
CONECT   12   11   13   29                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    6   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18    6                                                 
CONECT   20    7   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23    7                                                 
CONECT   25   10   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   11                                                 
CONECT   29   12   30   31                                            
CONECT   30   29                                                      
CONECT   31   29                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0I2FM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       3.968   0.241   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       4.682  -0.172   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       5.397   0.241   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       5.397   1.066   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       4.682   1.478   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.968   1.066   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       4.682  -0.997   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       5.397  -1.409   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       6.111  -0.997   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       6.111  -0.172   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       4.682   2.303   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.968   2.716   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.253   2.303   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.253   1.478   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.111   0.997   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.111   0.172   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.397  -0.241   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.682   0.172   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.682   0.997   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.397   1.409   0.000  1.00  0.00           C  
HETATM   21  S   UNL     1      -5.397  -1.066   0.000  1.00  0.00           S  
HETATM   22  C   UNL     1      -4.682  -1.478   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.968  -1.066   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.968  -0.241   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.682  -2.303   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.968  -2.716   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.253  -2.303   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.253  -1.478   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.253   0.172   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.539  -0.241   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.253   0.997   0.000  1.00  0.00           O  
HETATM   32  N   UNL     1      -1.824   0.172   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1      -1.110  -0.241   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.395   0.172   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       0.319  -0.241   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       1.034   0.172   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       1.748  -0.241   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       2.463   0.172   0.000  1.00  0.00           C  
HETATM   39  N   UNL     1       3.177  -0.241   0.000  1.00  0.00           N  
CONECT    1    2    6   39                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4   10                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   11                                            
CONECT    6    5    1   14                                            
CONECT    7    2    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    3                                                 
CONECT   11    5   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    6                                                 
CONECT   15   16   20                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19   24                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   17   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24   28                                            
CONECT   24   23   18   29                                            
CONECT   25   22   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   24   30   31                                            
CONECT   30   29   32                                                 
CONECT   31   29                                                      
CONECT   32   30   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38    1                                                 
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0I2HK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.791   0.466   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.031   0.466   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.442   1.178   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.031   1.890   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.791   1.890   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.202   1.178   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.264   1.178   0.000  1.00  0.00           N  
HETATM    8  S   UNL     1       1.675   1.890   0.000  1.00  0.00           S  
HETATM    9  C   UNL     1       2.387   1.479   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.442  -0.246   0.000  1.00  0.00           N  
HETATM   11  S   UNL     1       0.031  -0.958   0.000  1.00  0.00           S  
HETATM   12  C   UNL     1       0.743  -1.369   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.681  -0.547   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1      -0.380  -1.670   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       0.743  -2.191   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.455  -2.602   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.167  -2.191   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.167  -1.369   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.455  -0.958   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.387   0.657   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.099   0.246   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.811   0.657   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.811   1.479   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.099   1.890   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       0.963   2.301   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1       2.086   2.602   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       4.523   0.246   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.025   1.178   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.436   0.466   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.025  -0.246   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -3.258   0.466   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.741   1.131   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.523   0.877   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.523   0.055   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1      -3.741  -0.199   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1       2.879  -2.602   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   28                                            
CONECT    7    3    8                                                 
CONECT    8    7    9   25   26                                       
CONECT    9    8   20   24                                            
CONECT   10    2   11                                                 
CONECT   11   10   12   13   14                                       
CONECT   12   11   15   19                                            
CONECT   13   11                                                      
CONECT   14   11                                                      
CONECT   15   12   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   36                                            
CONECT   18   17   19                                                 
CONECT   19   18   12                                                 
CONECT   20    9   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23    9                                                 
CONECT   25    8                                                      
CONECT   26    8                                                      
CONECT   27   22                                                      
CONECT   28    6   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29                                                      
CONECT   31   29   32   35                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   31                                                 
CONECT   36   17                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0I2OO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.762   0.398   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.762  -0.427   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       1.476  -0.840   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.191  -0.427   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.191   0.398   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       1.476   0.810   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1       2.905  -0.840   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       3.620  -0.427   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       4.334  -0.840   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       5.049  -0.427   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       5.763  -0.840   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       6.478  -0.427   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       6.478   0.398   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       5.763   0.810   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       5.049   0.398   0.000  1.00  0.00           C  
HETATM   16 CL   UNL     1       5.763  -1.665   0.000  1.00  0.00          Cl  
HETATM   17  O   UNL     1       3.620   0.398   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       0.047   0.810   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.667   0.398   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.382   0.810   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.096   0.398   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.096  -0.427   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.382  -0.840   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.667  -0.427   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.811  -0.840   0.000  1.00  0.00           C  
HETATM   26  S   UNL     1      -3.564  -0.504   0.000  1.00  0.00           S  
HETATM   27  C   UNL     1      -4.116  -1.117   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.704  -1.832   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.897  -1.660   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -4.937  -1.031   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -5.349  -1.746   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.174  -1.746   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.587  -2.460   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       5.762   1.635   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1       4.937   1.635   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1       5.762   2.460   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1       6.587   1.635   0.000  1.00  0.00           F  
CONECT    1    2    6   18                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   17                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   34                                            
CONECT   15   14   10                                                 
CONECT   16   11                                                      
CONECT   17    8                                                      
CONECT   18    1   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   25                                                 
CONECT   30   27   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32                                                      
CONECT   34   14   35   36   37                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END

$$$$

$$$$

$$$$
D0I2RF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.495  -0.023   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.495  -0.848   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.710  -1.103   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.225  -0.436   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.710   0.232   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.209   0.389   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.924  -0.023   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.924  -0.848   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.209  -1.261   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.600  -0.436   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.085  -1.103   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.869  -0.848   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.869  -0.023   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.085   0.232   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.482   0.529   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.311   1.336   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.526   1.591   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.913   1.039   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.455   1.016   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1      -1.007   1.629   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1       0.830  -1.888   0.000  1.00  0.00           O  
HETATM   22 BR   UNL     1       2.924   1.888   0.000  1.00  0.00          Br  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    1   19                                            
CONECT    6    1    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    4   11   14                                            
CONECT   11   10   12   21                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13   10   18                                            
CONECT   15   13   16                                                 
CONECT   16   15   17   22                                            
CONECT   17   16   18                                                 
CONECT   18   17   14                                                 
CONECT   19    5   20                                                 
CONECT   20   19                                                      
CONECT   21   11                                                      
CONECT   22   16                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0I2RS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.991  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.277   0.206   0.000  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.277   1.031   0.000  1.00  0.00           O  
HETATM    4  N   UNL     1      -2.562  -0.206   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.848   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.848   1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.133   1.444   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.133  -0.206   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.419   0.206   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -1.133  -1.031   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.296  -0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.296  -1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.419  -1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.010  -1.444   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.419  -2.269   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.010   0.206   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.725  -0.206   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       1.010   1.031   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.725  -1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.439  -1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.154  -1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.154  -0.206   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.439   0.206   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.868  -1.444   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.868  -2.269   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.582  -2.681   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       5.297  -2.269   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.297  -1.444   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.582  -1.031   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.745   0.129   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.297  -0.484   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1      -4.884  -1.198   0.000  1.00  0.00           N  
HETATM   33  O   UNL     1      -4.077  -1.027   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1      -0.419   1.031   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       0.296   1.444   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       0.296   2.269   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.419   2.681   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.133   2.269   0.000  1.00  0.00           C  
CONECT    1    2   30   33                                            
CONECT    2    1    3    4                                            
CONECT    3    2                                                      
CONECT    4    2    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    7                                                 
CONECT    7    6   34   38                                            
CONECT    8    5    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9   12   16                                            
CONECT   12   11   13   14                                            
CONECT   13   12   15                                                 
CONECT   14   12                                                      
CONECT   15   13                                                      
CONECT   16   11   17   18                                            
CONECT   17   16   19   23                                            
CONECT   18   16                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   17                                                 
CONECT   24   21   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30    1   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32    1                                                 
CONECT   34    7   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37    7                                                 
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0I3KT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287   0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.287   1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.572   1.856   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858   1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.858   0.619   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.001   1.856   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.429   0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.715   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.000   0.619   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.715   0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.429   0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.143   0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.715  -0.619   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.000  -1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.715  -0.619   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       0.000  -1.856   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.858   0.619   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.572   0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.287   0.619   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.287   1.444   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.572   1.856   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.858   1.444   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       5.001   1.856   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    3                                                      
CONECT    8    6    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   19                                                 
CONECT   15   10   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   12                                                 
CONECT   18   16                                                      
CONECT   19   14   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0I3NS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.780   2.213   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.780   1.389   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.066   0.976   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.649   1.389   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.649   2.213   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.066   2.626   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.363   2.626   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.078   2.213   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1       1.363   3.451   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1       1.363   0.976   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.363   0.151   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.494   0.976   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.494   0.151   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.078  -0.432   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.494  -1.016   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.911  -0.432   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.649  -0.262   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.649  -1.087   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.363  -1.499   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.078  -1.087   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.078  -0.262   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.363  -2.324   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       2.078  -2.736   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       0.649  -2.736   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.176  -2.736   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.236  -3.451   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   12                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    4   11                                                 
CONECT   11   10   17   21                                            
CONECT   12    2   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   13                                                 
CONECT   17   11   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   11                                                 
CONECT   22   19   23   24                                            
CONECT   23   22                                                      
CONECT   24   22   25   26                                            
CONECT   25   24   26                                                 
CONECT   26   25   24                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0I3PZ
  -OEChem-09301911192D

 64 67  0     0  0  0  0  0  0999 V2000
   10.9157    3.4222    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2946    0.1304    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0971   -1.9058    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9325   -3.3147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.0373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8769    0.8349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8988    1.0428    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.0373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.5373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.9627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2836   -0.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769    1.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6959   -0.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7078    2.4440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3714    1.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7013   -0.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1026   -1.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1136   -1.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5148   -2.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5203   -2.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3392   -4.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7514   -5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7143   -0.5247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7976    0.2680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4362    1.1888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9880    1.8702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3066    2.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4970   -1.5274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7670   -3.1766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    2.3473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.6573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7699   -4.6743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8532   -3.8816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.8473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -0.7727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2499   -4.6729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3870   -5.5389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2530   -5.4017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.7727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    5.0373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.6573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    5.0373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    1.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    1.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.0742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.2273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.0004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4 25  1  0  0  0  0
  4 31  1  0  0  0  0
  5 27  1  0  0  0  0
  5 37  1  0  0  0  0
  6 34  1  0  0  0  0
  6 38  1  0  0  0  0
  7 34  2  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 17  2  0  0  0  0
 10 22  1  0  0  0  0
 10 26  2  0  0  0  0
 11 22  2  0  0  0  0
 11 29  1  0  0  0  0
 12 26  1  0  0  0  0
 12 28  1  0  0  0  0
 12 47  1  0  0  0  0
 13 33  2  0  0  0  0
 13 36  1  0  0  0  0
 14 16  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 24 46  1  0  0  0  0
 26 27  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
 28 32  1  0  0  0  0
 29 48  1  0  0  0  0
 30 33  1  0  0  0  0
 30 34  1  0  0  0  0
 31 35  1  0  0  0  0
 31 49  1  0  0  0  0
 31 50  1  0  0  0  0
 32 36  2  0  0  0  0
 32 51  1  0  0  0  0
 33 52  1  0  0  0  0
 35 53  1  0  0  0  0
 35 54  1  0  0  0  0
 35 55  1  0  0  0  0
 36 56  1  0  0  0  0
 37 57  1  0  0  0  0
 37 58  1  0  0  0  0
 37 59  1  0  0  0  0
 38 39  1  0  0  0  0
 38 60  1  0  0  0  0
 38 61  1  0  0  0  0
 39 62  1  0  0  0  0
 39 63  1  0  0  0  0
 39 64  1  0  0  0  0
M  END

$$$$
D0I3QY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.240   0.014   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.525   0.427   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.189   0.014   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.189  -0.811   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.525  -1.223   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.240  -0.811   0.000  1.00  0.00           C  
HETATM    7  I   UNL     1      -0.904   0.427   0.000  1.00  0.00           I  
HETATM    8  C   UNL     1       1.885  -1.325   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.689  -1.142   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       3.047  -0.398   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       2.689   0.345   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.885   0.528   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.671   1.325   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.904  -1.223   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.618  -0.811   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.333  -1.223   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.047  -0.811   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   14                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    3                                                      
CONECT    8    6    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    1   13                                            
CONECT   13   12                                                      
CONECT   14    4   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D0I3ZW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.759   1.875   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.759   1.050   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.473   0.638   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.188   1.050   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.188   1.875   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.473   2.288   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.044   0.638   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.670   1.050   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.670   1.875   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.385   2.288   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.099   1.875   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.099   1.050   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.385   0.638   0.000  1.00  0.00           C  
HETATM   14  H   UNL     1      -1.385   3.113   0.000  1.00  0.00           H  
HETATM   15  S   UNL     1      -2.712   0.498   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1      -2.377  -0.255   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.556  -0.169   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.789  -0.970   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.377  -1.684   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.789  -2.399   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.377  -3.113   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.552  -3.113   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.139  -2.399   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.552  -1.684   0.000  1.00  0.00           C  
HETATM   25  I   UNL     1      -3.614  -2.399   0.000  1.00  0.00           I  
HETATM   26  H   UNL     1      -1.139  -0.970   0.000  1.00  0.00           H  
HETATM   27  C   UNL     1       2.900   2.288   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1       2.487   3.002   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1       3.614   2.700   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1       3.312   1.574   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   27                                            
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12    8   17                                            
CONECT   14   10                                                      
CONECT   15   12   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   13                                                 
CONECT   18   16   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19   26                                            
CONECT   25   20                                                      
CONECT   26   24                                                      
CONECT   27    5   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0I4PX
  -OEChem-09301911162D

 66 70  0     0  0  0  0  0  0999 V2000
   12.1292   -1.0090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.0152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.0152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.5152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.0152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3591   -1.0195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.4848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.4848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651    0.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3475   -2.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651   -0.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3591    1.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1292    1.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2077   -2.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1254    2.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1961   -3.5293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0795   -2.0394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9895    2.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2574    2.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0563   -4.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9396   -2.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9856    3.5426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2536    3.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9281   -3.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -3.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1177    4.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -3.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7382   -1.9047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1287   -2.5995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3519    1.6698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3435    0.4575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7394    1.1493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6557   -3.8331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0866   -1.4195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5276    2.2347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7217    2.2239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021   -2.1748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.1748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.3252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.1048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0492   -4.6593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4801   -2.2456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335    1.4901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365    1.4901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5214    3.8547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7155    3.8439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4614   -3.8655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021   -3.7948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1153    4.6593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    0.0402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    0.0402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -4.6048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 18  1  0  0  0  0
  2 52  1  0  0  0  0
  3 23  2  0  0  0  0
  4 40  1  0  0  0  0
  4 66  1  0  0  0  0
  5 40  2  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 16  2  0  0  0  0
  7 19  1  0  0  0  0
  8 23  1  0  0  0  0
  8 32  1  0  0  0  0
  8 53  1  0  0  0  0
  9 29  1  0  0  0  0
  9 39  2  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 11 18  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 17  1  0  0  0  0
 13 20  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 19  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 28  1  0  0  0  0
 21 29  2  0  0  0  0
 22 26  2  0  0  0  0
 22 27  1  0  0  0  0
 24 30  1  0  0  0  0
 24 46  1  0  0  0  0
 25 31  2  0  0  0  0
 25 47  1  0  0  0  0
 26 33  1  0  0  0  0
 26 48  1  0  0  0  0
 27 34  2  0  0  0  0
 27 49  1  0  0  0  0
 28 36  2  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
 30 35  2  0  0  0  0
 30 54  1  0  0  0  0
 31 35  1  0  0  0  0
 31 55  1  0  0  0  0
 32 38  1  0  0  0  0
 32 56  1  0  0  0  0
 32 57  1  0  0  0  0
 33 37  2  0  0  0  0
 33 58  1  0  0  0  0
 34 37  1  0  0  0  0
 34 59  1  0  0  0  0
 35 60  1  0  0  0  0
 36 39  1  0  0  0  0
 36 61  1  0  0  0  0
 37 62  1  0  0  0  0
 38 40  1  0  0  0  0
 38 63  1  0  0  0  0
 38 64  1  0  0  0  0
 39 65  1  0  0  0  0
M  END

$$$$
D0I5DE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.271  -0.645   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.271  -1.470   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.986  -1.882   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.700  -1.470   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.700  -0.645   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.986  -0.232   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.485  -1.725   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.970  -1.057   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       2.485  -0.390   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1       3.795  -1.057   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       4.207  -0.343   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       5.032  -0.343   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       5.445   0.372   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       5.032   1.086   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.207   1.086   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.795   0.372   0.000  1.00  0.00           C  
HETATM   17 CL   UNL     1       5.445  -1.057   0.000  1.00  0.00          Cl  
HETATM   18 CL   UNL     1      -0.443  -0.232   0.000  1.00  0.00          Cl  
HETATM   19  N   UNL     1      -0.443  -1.882   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       3.795   1.800   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       4.207   2.515   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       3.795   3.229   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       2.970   3.229   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       4.207   3.944   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.698  -2.522   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.158  -1.470   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.872  -1.882   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.872  -2.707   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -1.158  -3.120   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.443  -2.707   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.587  -3.120   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.004   3.730   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.790   4.527   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.301  -2.707   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.016  -3.120   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.016  -3.945   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.301  -4.357   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.587  -3.945   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       3.492   4.357   0.000  1.00  0.00           C  
HETATM   40  F   UNL     1       3.905   5.072   0.000  1.00  0.00           F  
HETATM   41  F   UNL     1       4.207   3.945   0.000  1.00  0.00           F  
HETATM   42  F   UNL     1       3.080   3.643   0.000  1.00  0.00           F  
HETATM   43  C   UNL     1      -4.730  -4.357   0.000  1.00  0.00           C  
HETATM   44  F   UNL     1      -4.318  -5.072   0.000  1.00  0.00           F  
HETATM   45  F   UNL     1      -5.445  -4.770   0.000  1.00  0.00           F  
HETATM   46  F   UNL     1      -5.143  -3.643   0.000  1.00  0.00           F  
CONECT    1    2    6   18                                            
CONECT    2    1    3   19                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   25                                            
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   11                                                 
CONECT   17   12                                                      
CONECT   18    1                                                      
CONECT   19    2   26   30                                            
CONECT   20   15   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22                                                      
CONECT   24   22   32   33   39                                       
CONECT   25    7                                                      
CONECT   26   19   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   19                                                 
CONECT   31   28   34   38                                            
CONECT   32   24   33                                                 
CONECT   33   32   24                                                 
CONECT   34   31   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37   43                                            
CONECT   37   36   38                                                 
CONECT   38   37   31                                                 
CONECT   39   24   40   41   42                                       
CONECT   40   39                                                      
CONECT   41   39                                                      
CONECT   42   39                                                      
CONECT   43   36   44   45   46                                       
CONECT   44   43                                                      
CONECT   45   43                                                      
CONECT   46   43                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
M  END

$$$$
D0I5DM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.701   0.174   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.701  -0.651   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.986  -1.064   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.272  -0.651   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.272   0.174   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.986   0.586   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.557   0.586   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.843   0.174   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.843  -0.651   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.128  -1.064   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.414  -0.651   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.414   0.174   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.128   0.586   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.699   0.586   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.015   0.174   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       0.229  -0.623   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.053  -0.666   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.348   0.104   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       0.707   0.623   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.145   0.317   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.728  -0.266   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.525  -0.052   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.739   0.745   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.155   1.328   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.359   1.114   0.000  1.00  0.00           C  
HETATM   26  S   UNL     1       4.536   0.958   0.000  1.00  0.00           S  
HETATM   27  O   UNL     1       0.707   1.448   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1       1.502  -1.358   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.486  -1.036   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.229  -1.448   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.117   0.377   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1       4.534  -0.206   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       4.534   0.961   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       5.701   0.961   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    8                                                 
CONECT   14   12   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17   29   30                                       
CONECT   17   16   18   28                                            
CONECT   18   17   19   20                                            
CONECT   19   18   15   27                                            
CONECT   20   18   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23   31                                                 
CONECT   27   19                                                      
CONECT   28   17                                                      
CONECT   29   16                                                      
CONECT   30   16                                                      
CONECT   31   26   32   33   34                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0I5DV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.780   0.841   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.780   0.016   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.065  -0.397   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.351   0.016   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.351   0.841   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.065   1.254   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.065   2.079   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.494   1.254   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.494   2.079   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.209   2.491   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.733  -0.881   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.478  -1.666   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.653  -1.666   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.398  -0.881   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1      -1.963  -2.333   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.653  -2.491   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.162  -1.795   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       0.364  -0.397   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.078   0.016   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.078   0.841   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.364   1.254   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.164  -0.804   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.971  -0.976   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.384  -0.262   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.832   0.352   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.384  -1.690   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.971  -2.405   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.209  -1.690   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.174  -1.190   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.758  -1.773   0.000  1.00  0.00           C  
CONECT    1    2    6    8                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   11   14                                       
CONECT    4    3    5   18                                            
CONECT    5    4    6   21                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    1    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9                                                      
CONECT   11    3   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14   16   17                                       
CONECT   14   13    3                                                 
CONECT   15   12                                                      
CONECT   16   13                                                      
CONECT   17   13                                                      
CONECT   18    4   19                                                 
CONECT   19   18   20   22   25                                       
CONECT   20   19   21                                                 
CONECT   21   20    5                                                 
CONECT   22   19                                                      
CONECT   23   24   26   29   30                                       
CONECT   24   23   25                                                 
CONECT   25   24   19                                                 
CONECT   26   23   27   28                                            
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   23   30                                                 
CONECT   30   29   23                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END

$$$$

$$$$

$$$$
D0I5SD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.783   2.517   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.209   1.810   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.810   1.088   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.986   1.072   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.559   1.778   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.958   2.501   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.587   0.349   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.013  -0.357   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.838  -0.341   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.264  -1.047   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.866  -1.770   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.041  -1.786   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.615  -1.079   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.762   0.334   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.190  -0.261   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.404   0.334   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.190   0.928   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -3.181   3.239   0.000  1.00  0.00          Cl  
HETATM   19 CL   UNL     1      -3.292  -2.476   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1      -0.190  -1.086   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       1.229   0.334   0.000  1.00  0.00           N  
HETATM   22  S   UNL     1       1.642  -0.381   0.000  1.00  0.00           S  
HETATM   23  C   UNL     1       2.054  -1.095   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.642  -1.810   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.054  -2.524   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.879  -2.524   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.292  -1.810   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.879  -1.095   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       2.356   0.032   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       0.927  -0.793   0.000  1.00  0.00           O  
HETATM   31  F   UNL     1       3.292  -3.239   0.000  1.00  0.00           F  
CONECT    1    2    6   18                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   14                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   19                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    7   15   17                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17   21                                            
CONECT   17   16   14                                                 
CONECT   18    1                                                      
CONECT   19   11                                                      
CONECT   20   15                                                      
CONECT   21   16   22                                                 
CONECT   22   21   23   29   30                                       
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   22                                                      
CONECT   30   22                                                      
CONECT   31   26                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0I5TH
  -OEChem-09301911242D

 52 53  0     0  0  0  0  0  0999 V2000
    5.4641    4.3450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    4.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641    4.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -4.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -4.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -2.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -2.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -4.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -4.7627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -3.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -3.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -5.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -6.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -5.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.1181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    1.8819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    0.8081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    5.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    5.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  9  1  0  0  0  0
  1 21  1  0  0  0  0
  2 23  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6 14  2  0  0  0  0
  6 26  1  0  0  0  0
  7 19  1  0  0  0  0
  7 23  1  0  0  0  0
  7 44  1  0  0  0  0
  8 18  1  0  0  0  0
  8 26  2  0  0  0  0
  9 51  1  0  0  0  0
  9 52  1  0  0  0  0
 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 13  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 15  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 16  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 17  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  2  0  0  0  0
 17 42  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 22  1  0  0  0  0
 20 27  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 22 43  1  0  0  0  0
 24 25  2  0  0  0  0
 24 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
M  END

$$$$
D0I5UY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.231   0.940   0.000  1.00  0.00           N  
HETATM    2  N   UNL     1      -2.231   0.115   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.517  -0.298   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.803   0.115   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.803   0.940   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.517   1.352   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.189   1.492   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.525   2.246   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.345   2.159   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.517  -1.123   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.803  -1.535   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.088  -1.123   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.088  -0.298   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.898   2.773   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.618   1.320   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.872   0.536   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.679   0.364   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.231   0.977   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.977   1.762   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.170   1.934   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1       0.915   2.718   0.000  1.00  0.00          Cl  
HETATM   22 CL   UNL     1       1.934  -0.420   0.000  1.00  0.00          Cl  
HETATM   23  O   UNL     1      -0.803  -2.360   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.517  -2.773   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   10                                            
CONECT    4    3    5   13                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1    9                                            
CONECT    7    5    8   15                                            
CONECT    8    7    9                                                 
CONECT    9    8    6   14                                            
CONECT   10    3   11                                                 
CONECT   11   10   12   23                                            
CONECT   12   11   13                                                 
CONECT   13   12    4                                                 
CONECT   14    9                                                      
CONECT   15    7   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
CONECT   22   17                                                      
CONECT   23   11   24                                                 
CONECT   24   23                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0I5VG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -4.097   2.986   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.097   2.161   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.383   1.749   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.668   2.161   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.668   2.986   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.383   3.399   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -3.211   0.942   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1      -2.391   0.855   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.055   1.609   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.811   1.749   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.230   1.609   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.818   0.895   0.000  1.00  0.00           O  
HETATM   13  N   UNL     1      -0.818   2.324   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.007   2.324   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.420   1.609   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.245   1.609   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.657   2.324   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.245   3.038   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.420   3.038   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.007   3.752   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       1.828   1.026   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.653   1.026   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.066   0.311   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       3.066   1.740   0.000  1.00  0.00           O  
HETATM   25  N   UNL     1       2.730  -0.443   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1       3.343  -0.995   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       4.058  -0.582   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.886   0.225   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.811  -0.917   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.923  -0.614   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.668  -1.399   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.861  -1.570   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       0.607  -2.355   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.159  -2.968   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.966  -2.796   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.220  -2.012   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1       0.904  -3.752   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    4   11                                            
CONECT   10    2                                                      
CONECT   11    9   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14   20                                            
CONECT   20   19                                                      
CONECT   21   16   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   25   28                                            
CONECT   24   22                                                      
CONECT   25   23   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   23                                                 
CONECT   29   27                                                      
CONECT   30   25   31                                                 
CONECT   31   30   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   37                                            
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0I6CF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.858   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.858   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429   0.412   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.715   0.825   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.715   1.650   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.429   2.062   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.143  -0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.143  -1.650   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.429  -2.062   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.715  -1.650   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.715  -0.825   0.000  1.00  0.00           C  
HETATM   17  I   UNL     1       0.000  -0.412   0.000  1.00  0.00           I  
HETATM   18  C   UNL     1       0.000   2.062   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.715   1.650   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       0.000   2.888   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       1.429   2.062   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.715   0.825   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.143   1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.858   2.062   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1       3.572   1.650   0.000  1.00  0.00           F  
HETATM   26  H   UNL     1      -1.429  -2.888   0.000  1.00  0.00           H  
HETATM   27  H   UNL     1       0.000  -2.062   0.000  1.00  0.00           H  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   18                                            
CONECT   10    9    5                                                 
CONECT   11    7   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   26                                            
CONECT   15   14   16   27                                            
CONECT   16   15   11   17                                            
CONECT   17   16                                                      
CONECT   18    9   19   20                                            
CONECT   19   18   21   22                                            
CONECT   20   18                                                      
CONECT   21   19   23                                                 
CONECT   22   19                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24                                                      
CONECT   26   14                                                      
CONECT   27   15                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0I6HB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -1.520   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -2.345   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -2.757   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -2.345   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072  -1.520   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786  -1.107   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.357  -2.757   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.357  -2.345   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.357  -1.520   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.357  -1.107   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.072  -1.107   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.786  -1.520   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.501  -1.107   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.501  -0.282   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.786   0.130   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.072  -0.282   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.357   0.130   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.357   0.955   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       3.215   0.130   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       3.215   0.955   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.357  -3.582   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1      -1.786  -3.582   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.501  -3.995   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.215  -1.107   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.215  -0.282   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.072   1.368   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.072   2.193   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       0.357   2.605   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.357   2.193   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.357   1.368   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.357   3.430   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1      -0.357   3.843   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       2.158   3.280   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.745   3.995   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       0.920   3.995   0.000  1.00  0.00           C  
CONECT    1    2    6   24                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   22                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   21                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   11   17                                            
CONECT   17   16   18                                                 
CONECT   18   17   26   30                                            
CONECT   19   14   20                                                 
CONECT   20   19                                                      
CONECT   21    7                                                      
CONECT   22    3   23                                                 
CONECT   23   22                                                      
CONECT   24    1   25                                                 
CONECT   25   24                                                      
CONECT   26   18   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   18                                                 
CONECT   31   28   32   35                                            
CONECT   32   31                                                      
CONECT   33   34                                                      
CONECT   34   33   35                                                 
CONECT   35   31   34                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0I6IR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858   0.704   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858  -0.121   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -0.533   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429  -0.121   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429   0.704   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143   1.117   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.714   1.117   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.000   0.704   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.000  -0.121   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.714  -0.533   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.429  -0.121   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.429   0.704   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.714   1.117   0.000  1.00  0.00           C  
HETATM   14  S   UNL     1       2.143  -0.533   0.000  1.00  0.00           S  
HETATM   15  C   UNL     1       2.858  -0.121   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.572  -0.533   0.000  1.00  0.00           C  
HETATM   17  S   UNL     1       4.287  -0.946   0.000  1.00  0.00           S  
HETATM   18  C   UNL     1       4.287  -0.121   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.560  -1.117   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1       2.727  -1.117   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.572   1.117   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -4.287   0.704   0.000  1.00  0.00           N  
CONECT    1    2    6   21                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15   19   20                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   18                                                 
CONECT   18   17   16                                                 
CONECT   19   14                                                      
CONECT   20   14                                                      
CONECT   21    1   22                                                 
CONECT   22   21                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0I6LO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.644  -0.263   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.644  -1.088   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.930  -1.500   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.215  -1.088   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.215  -0.263   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.930   0.150   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.501   0.150   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.786  -0.263   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.072   0.150   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.072   0.975   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.786   1.387   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.501   0.975   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.786   2.212   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.357  -0.263   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.357  -1.088   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.357  -1.500   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.072  -1.088   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.072  -0.263   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.357   0.150   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.786   0.150   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.501  -0.263   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.215   0.150   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.215   0.975   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.501   1.387   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.786   0.975   0.000  1.00  0.00           C  
HETATM   26  S   UNL     1       3.930  -0.263   0.000  1.00  0.00           S  
HETATM   27  O   UNL     1       3.930  -1.088   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1       4.644   0.150   0.000  1.00  0.00           O  
HETATM   29  N   UNL     1       4.644  -0.675   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -5.359  -1.500   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -5.770  -0.788   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -6.071  -1.911   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -4.947  -2.212   0.000  1.00  0.00           F  
HETATM   34  C   UNL     1       5.359  -0.263   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1       6.071  -0.674   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1       6.071   0.970   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       5.359   0.559   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2   30    1    3                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11    7                                                 
CONECT   13   11                                                      
CONECT   14    9   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   14                                                 
CONECT   20   18   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   22   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   34   26                                                 
CONECT   30   31   32   33    2                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
CONECT   34   35   37   29                                            
CONECT   35   34                                                      
CONECT   36   37                                                      
CONECT   37   36   34                                                 
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0I6RC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.983  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.983  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.269  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.554  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.554  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.269   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.698   0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.840   0.206   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.126  -0.206   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.411   0.206   0.000  1.00  0.00           C  
HETATM   11 BR   UNL     1      -3.269   1.031   0.000  1.00  0.00          Br  
HETATM   12  C   UNL     1       0.303  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.018   0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.018   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.303   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.411   1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.698   1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.412   1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.127   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.127   0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.412  -0.206   0.000  1.00  0.00           C  
HETATM   22 CL   UNL     1      -1.126   1.444   0.000  1.00  0.00          Cl  
HETATM   23  C   UNL     1       1.732   1.444   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       1.732  -0.206   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       2.447   0.206   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       2.447   1.031   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       3.161  -0.206   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.161   1.444   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.161  -1.031   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.876  -1.444   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.590  -1.031   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.590  -0.206   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.876   0.206   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.876   1.031   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1       4.590   1.444   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1       5.302   0.206   0.000  1.00  0.00           C  
HETATM   37  N   UNL     1       6.127   0.206   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1   11                                            
CONECT    7    1   17   21                                            
CONECT    8    5    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   12   16                                            
CONECT   11    6                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14   24                                            
CONECT   14   13   15   23                                            
CONECT   15   14   16                                                 
CONECT   16   15   10   22                                            
CONECT   17    7   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20    7                                                 
CONECT   22   16                                                      
CONECT   23   14   26                                                 
CONECT   24   13   25                                                 
CONECT   25   24   27                                                 
CONECT   26   23   28                                                 
CONECT   27   25   29   33                                            
CONECT   28   26   34                                                 
CONECT   29   27   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   36                                            
CONECT   33   32   27                                                 
CONECT   34   28   35                                                 
CONECT   35   34                                                      
CONECT   36   32   37                                                 
CONECT   37   36                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0I6UA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.000  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.000  -1.650   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.715  -2.062   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.429  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.429  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.715  -0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.715  -0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.429  -0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.429  -1.650   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.715  -2.062   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.143  -2.062   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.143  -0.412   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.143   0.412   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1      -2.858  -0.825   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -3.572  -0.412   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.715   0.412   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.715   0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.143  -2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.858  -1.650   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.858  -0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.143  -0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.000   0.825   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.000   1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.715   2.062   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.429   1.650   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM   27 CL   UNL     1       0.715   2.062   0.000  1.00  0.00          Cl  
HETATM   28 CL   UNL     1       0.715   1.238   0.000  1.00  0.00          Cl  
HETATM   29  C   UNL     1       3.572  -0.412   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   18                                            
CONECT    5    4    6   21                                            
CONECT    6    5    1   16                                            
CONECT    7    1    8   17                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10   11                                            
CONECT   10    9    2                                                 
CONECT   11    9                                                      
CONECT   12    8   13   14                                            
CONECT   13   12                                                      
CONECT   14   12   15                                                 
CONECT   15   14                                                      
CONECT   16    6                                                      
CONECT   17    7   22   26                                            
CONECT   18    4   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   29                                            
CONECT   21   20    5                                                 
CONECT   22   17   23   28                                            
CONECT   23   22   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   17                                                 
CONECT   27   23                                                      
CONECT   28   22                                                      
CONECT   29   20                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0I6VK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       1.414  -0.552   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       2.129  -0.965   0.000  1.00  0.00           C  
HETATM    3  O   UNL     1       2.843  -0.552   0.000  1.00  0.00           O  
HETATM    4  C   UNL     1       3.557  -0.965   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       4.272  -0.552   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       5.025  -0.888   0.000  1.00  0.00           O  
HETATM    7  N   UNL     1       5.577  -0.275   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       5.165   0.440   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       4.358   0.268   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       2.129  -1.790   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       5.500   1.193   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       6.320   1.279   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1       5.015   1.860   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.201   0.244   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.404   0.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.618  -0.766   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.191   0.828   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.606   0.614   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.393  -0.182   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.320   1.027   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.035   0.614   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.749   1.027   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.463   0.614   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.463  -0.211   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.749  -0.623   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.035  -0.211   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.178  -0.623   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.892  -0.211   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.606  -0.623   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.606  -1.448   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.892  -1.860   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.178  -1.448   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1      -6.320  -1.860   0.000  1.00  0.00           F  
CONECT    1    2   14   16                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8    5                                                 
CONECT   10    2                                                      
CONECT   11    8   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14    1   15                                                 
CONECT   15   14   16   17   19                                       
CONECT   16   15    1                                                 
CONECT   17   15   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   15                                                 
CONECT   20   18   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   24   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0I6WJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.947  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.947  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.233  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.519  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.519  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.233   0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.804  -1.444   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.090  -1.031   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.375  -1.444   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -2.090  -0.206   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.661  -1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.054  -1.444   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.768  -1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.768  -0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.054   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.661  -0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.483   0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.197  -0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.197  -1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.912  -1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.626  -1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.626  -0.206   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.912   0.206   0.000  1.00  0.00           C  
HETATM   24  F   UNL     1      -4.233  -2.269   0.000  1.00  0.00           F  
HETATM   25  C   UNL     1       1.483   1.031   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.768   1.444   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       0.768   2.269   0.000  1.00  0.00           O  
HETATM   28  N   UNL     1       0.054   1.031   0.000  1.00  0.00           N  
HETATM   29  O   UNL     1       4.341  -1.444   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       5.055  -1.031   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.233   1.031   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1      -3.411   1.031   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -4.233   1.853   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -5.055   1.031   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   24                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6   31    5    1                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   14   18   25                                            
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   29                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24    3                                                      
CONECT   25   17   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   21   30                                                 
CONECT   30   29                                                      
CONECT   31   32   33   34    6                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0I6YT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930  -1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215  -1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.215   0.206   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.930  -0.206   0.000  1.00  0.00           N  
HETATM    7  O   UNL     1      -1.786  -1.444   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.072  -1.031   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.072  -0.206   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.357   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.357  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.072   0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.072   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.357   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.357   1.031   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.786   1.444   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       0.357   2.269   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.072   2.681   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.501   1.031   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.215   1.444   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.930   1.031   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       4.644   1.444   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       5.359   1.031   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.359   0.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       6.073  -0.206   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       6.787   0.206   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       6.787   1.031   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       6.073   1.444   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.644  -1.444   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.359  -1.031   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.073  -1.444   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.073  -2.269   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.359  -2.681   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.644  -2.269   0.000  1.00  0.00           C  
HETATM   36 CL   UNL     1      -6.787  -2.681   0.000  1.00  0.00          Cl  
HETATM   37  O   UNL     1      -1.786   1.031   0.000  1.00  0.00           O  
CONECT    1    2    6   30                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    4   37                                            
CONECT   11    9   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16   18                                            
CONECT   16   15   11                                                 
CONECT   17   14   20                                                 
CONECT   18   15   19                                                 
CONECT   19   18                                                      
CONECT   20   17   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30    1   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   36                                            
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
CONECT   36   33                                                      
CONECT   37   10                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0I7AJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.477  -1.294   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.191  -1.707   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.864  -1.846   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.477  -0.469   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.762  -0.057   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.048  -0.469   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.762   0.768   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.667  -0.057   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.381  -0.469   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.381  -1.294   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.095  -1.707   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.810  -1.294   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.810  -0.469   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.095  -0.057   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.667   0.768   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.048   1.181   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.048   2.006   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.762   2.418   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.477   2.006   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.477   1.181   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.690   0.328   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.514   0.371   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.810  -0.399   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.169  -0.918   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       2.095   0.768   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       1.383   1.180   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.667  -1.707   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1       0.255  -0.995   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -0.045  -2.118   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1       1.078  -2.418   0.000  1.00  0.00           F  
CONECT    1    2    3    4                                            
CONECT    2    1                                                      
CONECT    3    1                                                      
CONECT    4    1    5   21   24                                       
CONECT    5    4    6    7                                            
CONECT    6    5    8                                                 
CONECT    7    5   16   20                                            
CONECT    8    6    9   15                                            
CONECT    9    8   10   14                                            
CONECT   10   27    9   11                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   25   13    9                                            
CONECT   15    8                                                      
CONECT   16    7   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19    7                                                 
CONECT   21    4   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23    4                                                 
CONECT   25   26   14                                                 
CONECT   26   25                                                      
CONECT   27   28   29   30   10                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0I7KU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.562   1.567   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.348   0.770   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.551   0.557   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.968   1.140   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.181   1.937   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.978   2.151   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.177  -0.178   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.362  -0.049   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.233   0.766   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.498   1.140   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.806   0.691   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.071   1.065   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.849  -0.133   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -1.379   0.616   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1      -2.028   1.889   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.644   0.991   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.048   0.541   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.783   0.916   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.475   0.467   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.210   0.841   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.902   0.392   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.637   0.766   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       4.329   0.317   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.265  -0.506   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.946  -0.972   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       5.690  -0.616   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       5.754   0.207   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.073   0.673   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.521  -0.862   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.458  -1.684   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.138  -2.151   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.882  -1.794   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       6.498   0.563   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       6.562   1.385   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       5.881   1.852   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       5.137   1.496   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.779  -0.632   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9   37                                            
CONECT    9    8    4   10                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11   14   15                                            
CONECT   13   11   37                                                 
CONECT   14   12   16                                                 
CONECT   15   12                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25   29                                            
CONECT   25   24   26   32                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   33                                            
CONECT   28   27   23   36                                            
CONECT   29   24   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   25                                                 
CONECT   33   27   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   28                                                 
CONECT   37    8   13                                                 
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0I8AY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.290  -0.364   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.425   0.048   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.139  -0.364   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.853   0.048   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.004   0.048   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       0.425   0.873   0.000  1.00  0.00           O  
HETATM    7  N   UNL     1       2.607  -0.287   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1       3.159   0.326   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.747   1.040   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.940   0.869   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.833   1.861   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       1.527   1.583   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.779  -1.094   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.091   0.869   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.898   1.040   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.310   0.326   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.758  -0.287   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.930  -1.094   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.714  -1.349   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.886  -2.156   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.273  -2.708   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.488  -2.453   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.317  -1.646   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.166  -1.646   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.337  -2.453   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.122  -2.708   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.735  -2.156   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.563  -1.349   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.306   1.865   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.020   2.278   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.020   3.103   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.735   3.515   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1      -0.875  -3.005   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -2.444  -3.515   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -3.670  -2.411   0.000  1.00  0.00           F  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    7   10                                            
CONECT    5    1   14   17                                            
CONECT    6    2                                                      
CONECT    7    4    8   13                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    4   12                                            
CONECT   11    9                                                      
CONECT   12   10                                                      
CONECT   13    7   24   28                                            
CONECT   14    5   15                                                 
CONECT   15   14   16   29                                            
CONECT   16   15   17                                                 
CONECT   17   16    5   18                                            
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   35                                            
CONECT   21   20   22   34                                            
CONECT   22   21   23   33                                            
CONECT   23   22   18                                                 
CONECT   24   13   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   13                                                 
CONECT   29   15   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31                                                      
CONECT   33   22                                                      
CONECT   34   21                                                      
CONECT   35   20                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0I8CT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.023   0.111   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.023  -0.715   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.309  -1.127   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.594  -0.715   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.594   0.111   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.309   0.523   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1       0.190  -0.969   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1       0.675  -0.302   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.190   0.365   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1       1.500  -0.302   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.913   0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.738   0.412   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       1.500   1.127   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1      -2.738   0.523   0.000  1.00  0.00           O  
CONECT    1    2    6   14                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14    1                                                      
MASTER        0    0    0    0    0    0    0    0   14    0   14    0
END
M  END

$$$$
D0I8RK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNK A   1      -4.077   1.928   0.000  1.00  0.00           C  
HETATM    2  C   UNK A   6      -3.494   1.344   0.000  1.00  0.00           C  
HETATM    3  C   UNK A   1      -2.697   1.558   0.000  1.00  0.00           C  
HETATM    4  C   UNK A   1      -2.483   2.355   0.000  1.00  0.00           C  
HETATM    5  C   UNK A   1      -3.067   2.938   0.000  1.00  0.00           C  
HETATM    6  C   UNK A   1      -3.864   2.725   0.000  1.00  0.00           C  
HETATM    7  O   UNK A   1      -4.874   1.714   0.000  1.00  0.00           O  
HETATM    8  C   UNK A   1      -1.687   2.568   0.000  1.00  0.00           C  
HETATM    9  C   UNK A   1      -0.972   2.156   0.000  1.00  0.00           C  
HETATM   10  N   UNK A   1      -0.560   1.441   0.000  1.00  0.00           N  
HETATM   11  C   UNK A   6      -0.972   0.727   0.000  1.00  0.00           C  
HETATM   12  O   UNK A   6      -1.769   0.940   0.000  1.00  0.00           O  
HETATM   13  C   ACE A   0       0.265   1.441   0.000  1.00  0.00           C  
HETATM   14  C   UNK A   1      -0.389   2.739   0.000  1.00  0.00           C  
ATOM     15  N   ALA A   2       0.408   2.526   0.000  1.00  0.00           N  
HETATM   16  O   UNK A   1      -0.602   3.536   0.000  1.00  0.00           O  
ATOM     17  CA  ALA A   2       0.992   3.109   0.000  1.00  0.00           C  
ATOM     18  C   ALA A   2       1.788   2.896   0.000  1.00  0.00           C  
ATOM     19  O   ALA A   2       2.372   3.479   0.000  1.00  0.00           O  
ATOM     20  CB  ALA A   2       0.778   3.906   0.000  1.00  0.00           C  
ATOM     21  N   ALA A   3       2.002   2.099   0.000  1.00  0.00           N  
ATOM     22  CA  ALA A   3       2.799   1.885   0.000  1.00  0.00           C  
ATOM     23  C   ALA A   3       3.012   1.088   0.000  1.00  0.00           C  
ATOM     24  CB  ALA A   3       3.382   2.468   0.000  1.00  0.00           C  
HETATM   25  N   UNK A   4       2.429   0.505   0.000  1.00  0.00           N  
ATOM     26  O   ALA A   3       3.809   0.875   0.000  1.00  0.00           O  
HETATM   27  C   UNK A   4       1.632   0.718   0.000  1.00  0.00           C  
HETATM   28  C   UNK A   4       2.643  -0.292   0.000  1.00  0.00           C  
HETATM   29  C   UNK A   4       2.059  -0.875   0.000  1.00  0.00           C  
HETATM   30  O   UNK A   4       2.273  -1.672   0.000  1.00  0.00           O  
ATOM     31  N   ALA A   5       1.262  -0.662   0.000  1.00  0.00           N  
HETATM   32  C   UNK A   4       3.439  -0.506   0.000  1.00  0.00           C  
HETATM   33  C   UNK A   4       3.653  -1.302   0.000  1.00  0.00           C  
HETATM   34  C   UNK A   4       3.070  -1.886   0.000  1.00  0.00           C  
HETATM   35  C   UNK A   4       3.283  -2.683   0.000  1.00  0.00           C  
HETATM   36  C   UNK A   4       4.080  -2.896   0.000  1.00  0.00           C  
HETATM   37  C   UNK A   4       4.663  -2.313   0.000  1.00  0.00           C  
HETATM   38  C   UNK A   4       4.450  -1.516   0.000  1.00  0.00           C  
ATOM     39  CA  ALA A   5       0.679  -1.245   0.000  1.00  0.00           C  
ATOM     40  C   ALA A   5      -0.118  -1.032   0.000  1.00  0.00           C  
HETATM   41  N   UNK A   6      -0.332  -0.235   0.000  1.00  0.00           N  
HETATM   42  C   UNK A   6       0.282   0.317   0.000  1.00  0.00           C  
ATOM     43  O   ALA A   5      -0.701  -1.615   0.000  1.00  0.00           O  
ATOM     44  CB  ALA A   5       0.892  -2.042   0.000  1.00  0.00           C  
HETATM   45  C   UNK A   6      -1.128  -0.021   0.000  1.00  0.00           C  
HETATM   46  O   UNK A   6      -4.077   0.761   0.000  1.00  0.00           O  
HETATM   47  C   UNK A   6      -3.665   0.047   0.000  1.00  0.00           C  
HETATM   48  C   UNK A   6      -4.077  -0.668   0.000  1.00  0.00           C  
HETATM   49  C   UNK A   6      -3.665  -1.382   0.000  1.00  0.00           C  
HETATM   50  C   UNK A   6      -2.840  -1.382   0.000  1.00  0.00           C  
HETATM   51  C   UNK A   6      -2.427  -0.668   0.000  1.00  0.00           C  
HETATM   52  C   UNK A   6      -2.840   0.047   0.000  1.00  0.00           C  
HETATM   53  C   UNK A   6      -1.602  -0.668   0.000  1.00  0.00           C  
HETATM   54  C   UNK A   1      -5.088   0.917   0.000  1.00  0.00           C  
HETATM   55  O   UNK A   4       4.294  -3.693   0.000  1.00  0.00           O  
HETATM   56  C   UNK A   4       5.088  -3.906   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   46                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1   54                                                 
CONECT    8    4    9                                                 
CONECT    9   10    8   14                                            
CONECT   10    9   11   13                                            
CONECT   11   10   12   45                                            
CONECT   12   11                                                      
CONECT   13   10                                                      
CONECT   14    9   15   16                                            
CONECT   15   14   17                                                 
CONECT   16   14                                                      
CONECT   17   15   18   20                                            
CONECT   18   17   19   21                                            
CONECT   19   18                                                      
CONECT   20   17                                                      
CONECT   21   18   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   25   26                                            
CONECT   24   22                                                      
CONECT   25   23   27   28                                            
CONECT   26   23                                                      
CONECT   27   25                                                      
CONECT   28   25   29   32                                            
CONECT   29   28   30   31                                            
CONECT   30   29                                                      
CONECT   31   29   39                                                 
CONECT   32   28   33                                                 
CONECT   33   32   34   38                                            
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   55   35   37                                            
CONECT   37   36   38                                                 
CONECT   38   37   33                                                 
CONECT   39   31   40   44                                            
CONECT   40   39   41   43                                            
CONECT   41   40   42   45                                            
CONECT   42   41                                                      
CONECT   43   40                                                      
CONECT   44   39                                                      
CONECT   45   41   11   53                                            
CONECT   46    2   47                                                 
CONECT   47   46   48   52                                            
CONECT   48   47   49                                                 
CONECT   49   48   50                                                 
CONECT   50   49   51                                                 
CONECT   51   50   52   53                                            
CONECT   52   51   47                                                 
CONECT   53   51   45                                                 
CONECT   54    7                                                      
CONECT   55   56   36                                                 
CONECT   56   55                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
M  END

$$$$
D0I8ZE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572  -1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572  -1.856   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.858  -2.269   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143  -1.856   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143  -1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.858  -0.619   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.429  -2.269   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.715  -1.856   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.715  -1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.429  -0.619   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.000  -0.619   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.000   0.206   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.715   0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.715   1.444   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.429   0.206   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       0.000   1.856   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.000   2.681   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.715   3.094   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.429   2.681   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.429   1.856   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.715   0.619   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.429   0.206   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       0.000  -2.269   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.429  -3.094   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.715   1.444   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.429   1.856   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       2.143   1.444   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       0.715  -0.206   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.429  -0.619   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.143   0.619   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.858   0.206   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.572   0.619   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.572   1.444   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.858   1.856   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   24                                            
CONECT    8    7    9   23                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13   21                                            
CONECT   13   12   14   15                                            
CONECT   14   13   16   20                                            
CONECT   15   13                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   14                                                 
CONECT   21   12   22   25   28                                       
CONECT   22   21   29                                                 
CONECT   23    8                                                      
CONECT   24    7                                                      
CONECT   25   21   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   30   34                                            
CONECT   28   21                                                      
CONECT   29   22                                                      
CONECT   30   27   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   27                                                 
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0I9BT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.034  -0.968   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.319  -0.556   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.605  -0.968   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.109  -0.556   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.109   0.269   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.605   0.682   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.319   0.269   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.824   0.682   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.538   0.269   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.253   0.682   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.253   1.507   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.538   1.919   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.824   1.507   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       3.037   0.427   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       3.522   1.094   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.037   1.761   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.347   1.094   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       4.889   1.715   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       4.742   2.527   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       4.016   2.918   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.257   2.594   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.605   1.507   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       3.450  -0.288   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.748  -0.556   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.463  -0.968   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.463  -1.793   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.748  -2.206   0.000  1.00  0.00           N  
HETATM   28  N   UNL     1      -2.034  -1.793   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.177  -2.206   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1      -4.588  -1.494   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -4.889  -2.617   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -3.766  -2.918   0.000  1.00  0.00           F  
CONECT    1    2   24   28                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    7   22                                            
CONECT    7    6    2                                                 
CONECT    8    5    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15   23                                            
CONECT   15   14   16   17                                            
CONECT   16   15   11   21                                            
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22    6                                                      
CONECT   23   14                                                      
CONECT   24    1   25                                                 
CONECT   25   24   26                                                 
CONECT   26   29   25   27                                            
CONECT   27   26   28                                                 
CONECT   28   27    1                                                 
CONECT   29   30   31   32   26                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0I9FU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.269  -1.380   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.269  -2.205   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.555  -2.618   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.840  -2.205   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.840  -1.380   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.555  -0.968   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.126  -0.968   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.589  -1.380   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -0.126  -0.143   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.303  -0.968   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.057  -1.304   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1       2.609  -0.691   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.197   0.024   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.390  -0.147   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.984  -0.968   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.228  -2.111   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.615  -2.663   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.787  -3.470   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.571  -3.725   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.184  -3.173   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.013  -2.366   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.070  -0.147   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1      -3.877   0.024   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.289  -0.690   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.737  -1.303   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.452   0.808   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.900   1.422   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.093   1.250   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       0.838   0.466   0.000  1.00  0.00           N  
HETATM   30  F   UNL     1      -0.126  -2.618   0.000  1.00  0.00           F  
HETATM   31  C   UNL     1       2.155   2.206   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.212   0.778   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       2.962   2.378   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1       3.575   1.826   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.289   2.238   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1       4.118   3.045   0.000  1.00  0.00           N  
HETATM   37  C   UNL     1       3.297   3.131   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1       2.885   3.846   0.000  1.00  0.00           O  
HETATM   39  O   UNL     1       3.488   1.005   0.000  1.00  0.00           O  
HETATM   40  C   UNL     1      -2.984  -2.618   0.000  1.00  0.00           C  
HETATM   41  F   UNL     1      -2.275  -3.846   0.000  1.00  0.00           F  
HETATM   42  F   UNL     1      -4.212  -3.327   0.000  1.00  0.00           F  
HETATM   43  F   UNL     1      -3.693  -1.390   0.000  1.00  0.00           F  
CONECT    1    2    6   15                                            
CONECT    2    1    3   40                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   30                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   14                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   26                                            
CONECT   14   13   10   29                                            
CONECT   15    1   22   25                                            
CONECT   16   11   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   15   23                                                 
CONECT   23   22   24   32                                            
CONECT   24   23   25                                                 
CONECT   25   24   15                                                 
CONECT   26   13   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   14                                                 
CONECT   30    4                                                      
CONECT   31   27   33                                                 
CONECT   32   23                                                      
CONECT   33   31   34   37                                            
CONECT   34   33   35   39                                            
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   33   38                                            
CONECT   38   37                                                      
CONECT   39   34                                                      
CONECT   40   41   42   43    2                                       
CONECT   41   40                                                      
CONECT   42   40                                                      
CONECT   43   40                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END

$$$$

$$$$

$$$$
D0I9JE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858  -0.361   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858  -1.186   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -1.599   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429  -1.186   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429  -0.361   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143   0.051   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.714  -1.599   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.000  -1.186   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.000  -0.361   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.714   0.051   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.714   0.051   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.714   0.876   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.000   1.289   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.714   0.876   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.429  -0.361   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.143   0.051   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.143   0.876   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.429   1.289   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.858   1.289   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.858   2.114   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.143   2.526   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.429   2.114   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.357  -2.395   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.182  -2.395   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1      -1.944  -3.110   0.000  1.00  0.00           O  
HETATM   26  H   UNL     1      -1.016  -1.900   0.000  1.00  0.00           H  
HETATM   27  C   UNL     1      -1.560  -2.182   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.572  -1.599   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1      -3.572   0.051   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -1.429   0.464   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.714  -0.774   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.858   0.464   0.000  1.00  0.00           C  
HETATM   33  H   UNL     1       1.429   0.464   0.000  1.00  0.00           H  
HETATM   34  C   UNL     1       0.000   2.114   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.714   2.526   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       1.560   3.110   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       2.727   3.110   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1       3.572   0.876   0.000  1.00  0.00           O  
HETATM   39  O   UNL     1       2.858  -0.361   0.000  1.00  0.00           O  
HETATM   40  H   UNL     1      -0.714  -0.774   0.000  1.00  0.00           H  
CONECT    1    2    6   29                                            
CONECT    2    1    3   28                                            
CONECT    3    2    4   23   27                                       
CONECT    4    3    5    7   26                                       
CONECT    5    4    6   10   30                                       
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11   31                                       
CONECT   10    9    5   14   40                                       
CONECT   11    9   12   15                                            
CONECT   12   11   13   18                                            
CONECT   13   12   14   34                                            
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19   32                                       
CONECT   18   17   12   22   33                                       
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   36   37                                       
CONECT   22   21   18                                                 
CONECT   23    3   24   25                                            
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26    4                                                      
CONECT   27    3                                                      
CONECT   28    2                                                      
CONECT   29    1                                                      
CONECT   30    5                                                      
CONECT   31    9                                                      
CONECT   32   17   38   39                                            
CONECT   33   18                                                      
CONECT   34   13   35                                                 
CONECT   35   34                                                      
CONECT   36   21                                                      
CONECT   37   21                                                      
CONECT   38   32                                                      
CONECT   39   32                                                      
CONECT   40   10                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0I9PC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.482  -3.768   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.482  -2.943   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.768  -4.181   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.053  -3.768   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.053  -2.943   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.768  -2.531   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.768  -1.706   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.053  -1.293   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.053  -0.468   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.339  -0.056   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.339   0.769   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.328   1.254   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.074   2.039   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.751   2.039   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.006   1.254   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.304   2.652   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.111   2.480   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.365   1.696   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.813   1.083   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.113   0.999   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       1.285   0.192   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.339  -4.181   0.000  1.00  0.00           C  
HETATM   23 CL   UNL     1      -1.768  -5.006   0.000  1.00  0.00          Cl  
HETATM   24  C   UNL     1      -3.197  -4.181   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.049   3.437   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.242   3.608   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.013   4.393   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.539   5.006   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -1.346   4.834   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -1.601   4.050   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.408   3.878   0.000  1.00  0.00           C  
HETATM   32  S   UNL     1       2.069  -0.063   0.000  1.00  0.00           S  
HETATM   33  C   UNL     1       2.241  -0.870   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.628  -1.422   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.799  -2.229   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.584  -2.484   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.197  -1.932   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       3.025  -1.125   0.000  1.00  0.00           C  
HETATM   39  O   UNL     1       1.726   1.551   0.000  1.00  0.00           O  
HETATM   40  O   UNL     1       2.682   0.489   0.000  1.00  0.00           O  
HETATM   41  O   UNL     1       1.456  -0.615   0.000  1.00  0.00           O  
CONECT    1    2    3   24                                            
CONECT    2    1    6                                                 
CONECT    3    1    4   23                                            
CONECT    4    3    5   22                                            
CONECT    5    4    6                                                 
CONECT    6    5    2    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13   20                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   11   19                                            
CONECT   16   14   17   25                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   15                                                 
CONECT   20   12   21   39                                            
CONECT   21   20   32                                                 
CONECT   22    4                                                      
CONECT   23    3                                                      
CONECT   24    1                                                      
CONECT   25   16   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25   31                                            
CONECT   31   30                                                      
CONECT   32   21   33   40   41                                       
CONECT   33   32   34   38                                            
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   33                                                 
CONECT   39   20                                                      
CONECT   40   32                                                      
CONECT   41   32                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D0I9QC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.628  -0.563   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.628  -1.388   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.913  -1.801   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.199  -1.388   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.199  -0.563   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.913  -0.151   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.484  -0.151   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.770  -0.563   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.055  -0.151   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.659  -0.563   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.374  -0.151   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.374   0.674   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.659   1.087   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.055   0.674   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.088   1.087   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.913   1.087   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.501   1.801   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       3.628   0.674   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   16   17   12                                            
CONECT   16   15   17   18                                            
CONECT   17   16   15                                                 
CONECT   18   16                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D0I9VU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.531   1.209   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.531   0.384   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.817  -0.028   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.102   0.384   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.102   1.209   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.817   1.622   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.457  -0.130   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.653   0.054   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.295   0.797   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.653   1.540   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.457   1.724   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.671  -0.927   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.468  -1.140   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.681  -1.937   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.098  -2.521   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.301  -2.307   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.087  -1.510   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.070   2.124   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.671   2.521   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.470   0.797   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.244   1.209   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.959   0.797   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.673   1.209   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.388   0.797   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.388  -0.028   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.102  -0.441   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.817  -0.028   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.817   0.797   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.102   1.209   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1       4.531   1.209   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1       4.531  -0.441   0.000  1.00  0.00           F  
HETATM   32  O   UNL     1       0.244   2.034   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       0.959  -0.028   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       0.244  -0.441   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       0.244  -1.266   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       0.959  -1.678   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       1.673  -1.266   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       1.673  -0.441   0.000  1.00  0.00           C  
HETATM   39  F   UNL     1       0.959  -2.503   0.000  1.00  0.00           F  
HETATM   40  C   UNL     1       1.673   2.034   0.000  1.00  0.00           C  
HETATM   41  O   UNL     1       2.388   2.447   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   20                                            
CONECT   10    9   11   18                                            
CONECT   11   10    5   19                                            
CONECT   12    7   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   10                                                      
CONECT   19   11                                                      
CONECT   20    9   21                                                 
CONECT   21   20   22   32                                            
CONECT   22   21   23   33                                            
CONECT   23   22   24   40                                            
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29   30                                            
CONECT   29   28   24                                                 
CONECT   30   28                                                      
CONECT   31   27                                                      
CONECT   32   21                                                      
CONECT   33   34   38   22                                            
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37   39                                            
CONECT   37   36   38                                                 
CONECT   38   37   33                                                 
CONECT   39   36                                                      
CONECT   40   23   41                                                 
CONECT   41   40                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D0IA4F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.205   2.082   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.205   1.257   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.491   0.844   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.777   1.257   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.777   2.082   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.491   2.494   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.992   1.002   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.507   1.669   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.992   2.337   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.318   1.669   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.731   0.955   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.556   0.955   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.968   1.669   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.556   2.384   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.731   2.384   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       2.793   1.669   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       3.205   2.384   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.968   0.240   0.000  1.00  0.00           N  
HETATM   19  S   UNL     1       1.556  -0.474   0.000  1.00  0.00           S  
HETATM   20  C   UNL     1       1.143  -1.189   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       0.841  -0.062   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       2.270  -0.887   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       0.323  -1.275   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.151  -2.082   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.866  -2.494   0.000  1.00  0.00           C  
HETATM   26  S   UNL     1       1.479  -1.942   0.000  1.00  0.00           S  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   18                                            
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17                                                 
CONECT   17   16                                                      
CONECT   18   12   19                                                 
CONECT   19   18   20   21   22                                       
CONECT   20   19   23   26                                            
CONECT   21   19                                                      
CONECT   22   19                                                      
CONECT   23   20   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   20                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0IA4G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.723   0.222   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.723  -0.603   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.438  -1.015   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.152  -0.603   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.152   0.222   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.438   0.635   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.009   0.635   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.706   0.222   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1       0.009   1.460   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.420   0.635   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.420   1.460   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.135   1.872   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.849   1.460   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.849   0.635   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.135   0.222   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.564   1.872   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -4.278   1.460   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -4.993   1.872   0.000  1.00  0.00          Cl  
HETATM   19  F   UNL     1      -4.862   0.876   0.000  1.00  0.00           F  
HETATM   20  F   UNL     1      -3.866   0.745   0.000  1.00  0.00           F  
HETATM   21  N   UNL     1       2.866  -1.015   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.953  -1.836   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.760  -2.007   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.172  -1.293   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.620  -0.680   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       4.993  -1.207   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       2.866   0.635   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       3.620   0.299   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1       4.172   0.912   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       3.760   1.627   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.953   1.455   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1       2.340   2.007   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   21                                            
CONECT    5    4    6   27                                            
CONECT    6    5    1                                                 
CONECT    7    1    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18   19   20                                       
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20   17                                                      
CONECT   21    4   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   21                                                 
CONECT   26   24                                                      
CONECT   27    5   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   27   32                                            
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0IA7H
  -OEChem-09301911272D

 59 62  0     0  0  0  0  0  0999 V2000
    9.6448   -3.0600    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -5.0600    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    4.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    2.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -1.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -3.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    2.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    3.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -5.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788   -4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6916    0.2321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9336   -0.1054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984   -0.8592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851   -1.6843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0982   -0.5655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5430    0.0511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1675   -2.3312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9791   -2.5037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7177   -1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7778   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    2.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -1.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7778    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9687    4.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5702    3.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6482    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4453    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4497   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -5.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3158   -4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4497    2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 27  1  0  0  0  0
  3 25  2  0  0  0  0
  4 28  1  0  0  0  0
  4 58  1  0  0  0  0
  5 29  1  0  0  0  0
  5 59  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 20  1  0  0  0  0
  7 45  1  0  0  0  0
  8 17  1  0  0  0  0
  8 19  2  0  0  0  0
  9 23  1  0  0  0  0
  9 25  1  0  0  0  0
  9 48  1  0  0  0  0
 10 30  2  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 14  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 43  1  0  0  0  0
 18 19  1  0  0  0  0
 18 44  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 24  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  2  0  0  0  0
 22 25  1  0  0  0  0
 22 30  1  0  0  0  0
 23 28  1  0  0  0  0
 23 29  1  0  0  0  0
 23 46  1  0  0  0  0
 24 31  2  0  0  0  0
 24 47  1  0  0  0  0
 26 32  2  0  0  0  0
 26 53  1  0  0  0  0
 27 33  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
 30 54  1  0  0  0  0
 31 55  1  0  0  0  0
 32 34  1  0  0  0  0
 33 34  2  0  0  0  0
 33 56  1  0  0  0  0
 34 57  1  0  0  0  0
M  END

$$$$
D0IA7Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  F   UNL     1      -5.252   0.899   0.000  1.00  0.00           F  
HETATM    2  C   UNL     1      -4.538   0.486   0.000  1.00  0.00           C  
HETATM    3  F   UNL     1      -5.252   0.074   0.000  1.00  0.00           F  
HETATM    4  O   UNL     1      -4.125   1.201   0.000  1.00  0.00           O  
HETATM    5  O   UNL     1      -4.125  -0.228   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1      -3.328   0.987   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.328  -0.015   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.461  -0.516   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.593  -0.015   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.593   0.987   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.461   1.488   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.879   1.400   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.164   0.987   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.163   0.162   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.551  -0.250   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.265   0.162   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.265   0.987   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.551   1.400   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.980  -0.250   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.694   0.162   0.000  1.00  0.00           N  
HETATM   21  O   UNL     1       1.980  -1.075   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       3.823  -0.250   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.823  -1.075   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.538  -1.488   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.252  -1.075   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       5.252  -0.250   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       4.538   0.162   0.000  1.00  0.00           C  
HETATM   28 CL   UNL     1       3.109  -1.488   0.000  1.00  0.00          Cl  
CONECT    1    2                                                      
CONECT    2    1    3    4    5                                       
CONECT    3    2                                                      
CONECT    4    2    6                                                 
CONECT    5    2    7                                                 
CONECT    6    4    7   11                                            
CONECT    7    5    6    8                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10    6                                                 
CONECT   12   10   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16   20   21                                            
CONECT   20   19   22                                                 
CONECT   21   19                                                      
CONECT   22   20   23   27                                            
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   23                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0IB3R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -1.106   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -1.931   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.786  -2.343   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.072  -1.931   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072  -1.106   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786  -0.693   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.459  -0.554   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.794   0.200   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.615   0.114   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.382   0.914   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.357  -2.343   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.357  -1.931   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.072  -2.343   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.786  -1.931   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       1.786  -1.106   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.072  -0.693   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.357  -1.106   0.000  1.00  0.00           N  
HETATM   18  N   UNL     1       2.501  -2.343   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       0.443   0.914   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.856   1.629   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.443   2.343   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.382   2.343   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.794   1.629   0.000  1.00  0.00           C  
HETATM   24  F   UNL     1      -1.619   1.629   0.000  1.00  0.00           F  
HETATM   25  C   UNL     1       0.856   0.200   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       1.267  -0.512   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   11                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1    9                                            
CONECT    7    5    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    6                                                 
CONECT   10    8   19   23                                            
CONECT   11    4   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   14                                                      
CONECT   19   25   10   20                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   10   24                                            
CONECT   24   23                                                      
CONECT   25   26   19                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0IB3Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNK     1      -1.622  -0.084   0.000  1.00  0.00           C  
HETATM    2  C   UNK     1      -1.622  -0.908   0.000  1.00  0.00           C  
HETATM    3  C   UNK     1      -0.907  -1.321   0.000  1.00  0.00           C  
HETATM    4  C   UNK     1      -0.193  -0.908   0.000  1.00  0.00           C  
HETATM    5  C   UNK     1      -0.193  -0.084   0.000  1.00  0.00           C  
HETATM    6  C   UNK     1      -0.907   0.329   0.000  1.00  0.00           C  
HETATM    7  C   UNK     1       0.522   0.329   0.000  1.00  0.00           C  
HETATM    8  O   UNK     1      -2.336  -1.321   0.000  1.00  0.00           O  
HETATM    9  N   UNK     1       1.276  -0.007   0.000  1.00  0.00           N  
HETATM   10  C   UNK     1       1.827   0.607   0.000  1.00  0.00           C  
HETATM   11  C   UNK     1       1.415   1.321   0.000  1.00  0.00           C  
HETATM   12  S   UNK     1       0.608   1.149   0.000  1.00  0.00           S  
HETATM   13  C   UNK     1       2.648   0.520   0.000  1.00  0.00           C  
HETATM   14  O   UNK     1       3.133   1.188   0.000  1.00  0.00           O  
HETATM   15  O   UNK     1       2.984  -0.233   0.000  1.00  0.00           O  
HETATM   16  H   UNK     1      -0.193   0.742   0.000  1.00  0.00           H  
HETATM   17  O   UNK     1       0.522  -1.321   0.000  1.00  0.00           O  
HETATM   18  C   UNK     1       1.319  -1.107   0.000  1.00  0.00           C  
HETATM   19  C   UNK     1      -3.133  -1.107   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   17                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    9   12   16                                       
CONECT    8    2   19                                                 
CONECT    9    7   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16    7                                                      
CONECT   17    4   18                                                 
CONECT   18   17                                                      
CONECT   19    8                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D0IC3K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.067   1.927   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.067   1.102   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.353   0.689   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.638   1.102   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.638   1.927   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.353   2.339   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.924   0.689   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.838  -0.131   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.031  -0.303   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.382   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.170   1.025   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.451  -0.683   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.235  -0.428   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.849  -0.980   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.677  -1.787   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.892  -2.042   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.279  -1.490   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.202   0.498   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.687  -0.169   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       1.538   1.252   0.000  1.00  0.00           O  
HETATM   21 CL   UNL     1      -3.782   2.339   0.000  1.00  0.00          Cl  
HETATM   22 CL   UNL     1      -3.290  -2.339   0.000  1.00  0.00          Cl  
HETATM   23 CL   UNL     1      -0.495  -1.745   0.000  1.00  0.00          Cl  
HETATM   24  N   UNL     1       2.512  -0.169   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       2.997  -0.837   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.782  -0.582   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.782   0.243   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.997   0.498   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.742  -1.621   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       3.294  -2.235   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       1.924  -1.684   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       0.687  -0.970   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.512  -0.970   0.000  1.00  0.00           C  
CONECT    1    2    6   21                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    8   11    4                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   18                                            
CONECT   11   10    7                                                 
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   22                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   23                                            
CONECT   18   10   19   20                                            
CONECT   19   18   24                                                 
CONECT   20   18                                                      
CONECT   21    1                                                      
CONECT   22   15                                                      
CONECT   23   17                                                      
CONECT   24   19   25   28                                            
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   24                                                 
CONECT   29   25   30   31                                            
CONECT   30   29                                                      
CONECT   31   29   33                                                 
CONECT   32   33                                                      
CONECT   33   31   32                                                 
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0IC5Y
  -OEChem-09301911222D

 58 60  0     1  0  0  0  0  0999 V2000
    3.7320    1.6830    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -3.6217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641   -1.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641    0.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2260   -3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0920   -4.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0920   -3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2260   -3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7260   -2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7260   -2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3170    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1424   -2.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1830    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3301   -1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    0.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0655   -4.2819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8800   -4.7656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7026   -4.2907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7026   -3.0753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8800   -2.6004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6434   -3.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3336   -4.2936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3086   -2.6049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6183   -2.2064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3350   -1.4229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -0.9246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -0.2344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    1.0754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    1.7656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3441   -1.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -3.6270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    2.5753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    3.2656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    4.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    4.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    3.2200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.1461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2741    1.0860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 25  1  0  0  0  0
  2 13  1  0  0  0  0
  2 20  1  0  0  0  0
 14  3  1  6  0  0  0
  3 47  1  0  0  0  0
  4 22  1  0  0  0  0
  4 58  1  0  0  0  0
  5 22  2  0  0  0  0
 18  6  1  1  0  0  0
  6 45  1  0  0  0  0
  6 46  1  0  0  0  0
  7 19  2  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 15  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 19  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 21  1  0  0  0  0
 18 41  1  0  0  0  0
 20 23  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 23 24  2  0  0  0  0
 23 44  1  0  0  0  0
 24 48  1  0  0  0  0
 25 26  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
 28 55  1  0  0  0  0
 28 56  1  0  0  0  0
 28 57  1  0  0  0  0
M  END

$$$$
D0IC8O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.000   0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.000  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.285  -0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.571  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.571   0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.285   1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.856  -0.619   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.142  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.427  -0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.713  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.002  -0.619   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.716  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.431  -0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.145  -0.206   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.427  -1.444   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       0.002  -1.444   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       2.860  -0.619   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.574  -0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.574   0.619   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.860   1.031   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.145   0.619   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.002   0.206   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.002   1.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.713   1.444   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.427   1.031   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.427   0.206   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1      -5.000   1.031   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.286   0.619   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -5.000  -0.206   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -4.286  -0.619   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       4.286   1.031   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       5.000   0.619   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       4.286  -0.206   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1       5.000  -0.619   0.000  1.00  0.00           C  
CONECT    1    2    6   27                                            
CONECT    2    1    3   29                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   15                                            
CONECT   10    9   11   22   26                                       
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   17   21                                            
CONECT   15    9                                                      
CONECT   16   11                                                      
CONECT   17   14   18                                                 
CONECT   18   17   19   33                                            
CONECT   19   18   20   31                                            
CONECT   20   19   21                                                 
CONECT   21   20   14                                                 
CONECT   22   10   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   10                                                 
CONECT   27    1   28                                                 
CONECT   28   27                                                      
CONECT   29    2   30                                                 
CONECT   30   29                                                      
CONECT   31   19   32                                                 
CONECT   32   31                                                      
CONECT   33   18   34                                                 
CONECT   34   33                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0ID3R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.986   0.413   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.701   0.000   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.701  -0.825   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.986  -1.237   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.272  -0.825   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.272   0.000   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.986  -2.062   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.557   0.413   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.843   0.000   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.128   0.413   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -0.843  -0.825   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.625   0.077   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.177   0.690   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.765   1.405   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.042   1.233   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.880  -0.708   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.687  -0.879   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.239  -0.266   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.984   0.519   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.942  -1.664   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.739  -1.877   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.953  -2.674   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.749  -2.888   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.333  -2.304   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.119  -1.507   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.322  -1.294   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       5.130  -2.518   0.000  1.00  0.00           F  
HETATM   28  C   UNL     1       0.551   2.201   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.479   1.817   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.986   1.238   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -3.701   1.650   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1      -3.701   2.475   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.415   2.888   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1      -5.130   2.475   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1      -5.130   1.650   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.415   1.238   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.986   2.888   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.415   0.413   0.000  1.00  0.00           C  
CONECT    1    6    2   30                                            
CONECT    2    3    1                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    4                                                      
CONECT    8    6    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   12   15                                            
CONECT   11    9                                                      
CONECT   12   10   13   16                                            
CONECT   13   12   14   19                                            
CONECT   14   13   15   28   29                                       
CONECT   15   14   10                                                 
CONECT   16   12   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   13                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   24                                                      
CONECT   28   14                                                      
CONECT   29   14                                                      
CONECT   30    1   31                                                 
CONECT   31   30   32   36                                            
CONECT   32   31   33   37                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   31   38                                            
CONECT   37   32                                                      
CONECT   38   36                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END

$$$$

$$$$
D0ID4H
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  S   UNL     1       1.418   0.937   0.000  1.00  0.00           S  
HETATM    2  C   UNL     1       1.418   0.112   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.203  -0.143   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.688   0.525   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.203   1.192   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       0.751  -0.373   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.003  -0.037   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.670  -0.522   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.003   0.788   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       2.458   1.977   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.513   0.525   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.458  -0.927   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       3.265  -1.099   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1       1.906  -1.540   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.424  -0.186   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.510   0.634   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.264   0.970   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.932   0.485   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.845  -0.336   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.091  -0.671   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.513  -0.821   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.426  -1.641   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.673  -1.977   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.005  -1.492   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4   12                                            
CONECT    4    3    5   11                                            
CONECT    5    4    1   10                                            
CONECT    6    2    7                                                 
CONECT    7    6    8    9                                            
CONECT    8    7   15                                                 
CONECT    9    7                                                      
CONECT   10    5                                                      
CONECT   11    4                                                      
CONECT   12    3   13   14                                            
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15    8   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   15   24                                            
CONECT   21   19   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   20                                                 
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0IE8M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.082   1.485   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.082   0.660   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.368   0.247   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.653   0.660   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.653   1.485   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.368   1.897   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.061   0.247   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.148  -0.573   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.955  -0.745   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.367  -0.030   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.815   0.583   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1       1.029   1.380   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1       2.192  -0.030   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.436  -1.156   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.222  -1.953   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.233  -0.943   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.806  -2.537   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.592  -3.333   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.205  -3.547   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.788  -2.964   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.575  -2.167   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.368   2.723   0.000  1.00  0.00           C  
HETATM   23  F   UNL     1      -0.543   2.723   0.000  1.00  0.00           F  
HETATM   24  F   UNL     1      -1.368   3.547   0.000  1.00  0.00           F  
HETATM   25  F   UNL     1      -2.192   2.723   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   22                                            
CONECT    7    4    8   11                                            
CONECT    8    7    9   14                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10    7   12                                            
CONECT   12   11                                                      
CONECT   13   10                                                      
CONECT   14    8   15   16                                            
CONECT   15   14   17   21                                            
CONECT   16   14                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   15                                                 
CONECT   22   23   24   25    6                                       
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25   22                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0IF0T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429   2.888   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.429   2.062   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.714   1.650   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.001   2.062   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.001   2.888   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.714   3.300   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.715   3.300   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.429   2.888   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.429   2.062   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       2.144   1.650   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.858   2.062   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.858   2.888   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       2.144   3.300   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -2.143   1.650   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.857   2.062   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.572   1.650   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.572   0.825   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.857   0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.143   0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.144   0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.429  -0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.144  -0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.858  -0.412   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.858   0.412   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.144  -1.650   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       1.429  -2.062   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.715  -1.650   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.001  -2.062   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       0.001  -2.888   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       0.715  -3.300   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.429  -2.888   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.572  -0.825   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       2.747  -0.825   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   14                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   20                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    2   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   10   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25   33                                            
CONECT   25   24   20                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   24   34                                                 
CONECT   34   33                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0IF3G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215  -1.872   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215  -2.697   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.501  -3.110   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.786  -2.697   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.786  -1.872   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.501  -1.460   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.072  -3.110   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.357  -2.697   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.357  -3.110   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.072  -2.697   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.072  -1.872   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.357  -1.460   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.357  -1.872   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.501  -0.635   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.786  -0.222   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.786   0.603   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.501   1.015   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.215   0.603   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.215  -0.222   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.072   1.015   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.501   1.840   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.833   2.325   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.088   3.110   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.913   3.110   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.168   2.325   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       1.786  -1.460   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.501  -1.872   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       2.501  -2.697   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       3.215  -1.460   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   14                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   26                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    6   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   16                                                      
CONECT   21   17   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
CONECT   26   11   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27                                                      
CONECT   29   27                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0IF5M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.084   2.221   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.689   1.496   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.864   1.476   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.435   2.180   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.829   2.905   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.654   2.925   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.400   3.609   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.610   2.160   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.180   2.864   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1      -0.215   1.436   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.610   1.416   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.005   0.691   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.829   0.671   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.259   1.375   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.864   2.100   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.040   2.120   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.294   2.804   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       3.119   2.784   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       1.899   3.528   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.119   0.792   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.724   0.068   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.078  -0.677   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.479  -1.244   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.754  -0.849   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.906  -0.038   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.009  -1.203   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.815  -2.005   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.413  -2.574   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.218  -3.376   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.427  -3.609   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.170  -3.040   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.024  -2.238   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       0.962  -3.273   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       1.559  -2.704   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       1.365  -1.902   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       0.574  -1.669   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   20                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    4    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   11                                                 
CONECT   17   15   18   19                                            
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20    2   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   21                                                 
CONECT   26   24   27                                                 
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   33                                            
CONECT   32   31   27   36                                            
CONECT   33   31   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   32                                                 
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0IG6J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.591   0.412   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.591  -0.412   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.123  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.838  -0.412   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.838   0.412   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.123   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.306   0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.306  -0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.306   1.650   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.020   2.062   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.735   1.650   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.735   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.020   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.020  -0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.735  -0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.735  -1.650   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.020  -2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.306  -1.650   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.449  -2.062   0.000  1.00  0.00           O  
HETATM   20 CL   UNL     1      -0.591  -2.062   0.000  1.00  0.00          Cl  
HETATM   21  C   UNL     1       1.552   0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.267   0.412   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.981   0.825   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.163  -1.650   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.878  -2.062   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -5.592  -1.650   0.000  1.00  0.00           O  
HETATM   27 CL   UNL     1      -3.449   2.062   0.000  1.00  0.00          Cl  
HETATM   28  C   UNL     1       3.735   0.489   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.287   1.103   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       3.874   1.817   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       3.067   1.645   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.107   1.016   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       5.592   1.684   0.000  1.00  0.00           O  
HETATM   34  N   UNL     1       5.443   0.263   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   21                                            
CONECT    6    5    1                                                 
CONECT    7    9   13    1                                            
CONECT    8    2   14   18                                            
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   27                                            
CONECT   12   11   13                                                 
CONECT   13   12    7                                                 
CONECT   14    8   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17    8   20                                            
CONECT   19   16   24                                                 
CONECT   20   18                                                      
CONECT   21    5   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   28   31                                            
CONECT   24   19   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25                                                      
CONECT   27   11                                                      
CONECT   28   23   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   23                                                 
CONECT   32   29   33   34                                            
CONECT   33   32                                                      
CONECT   34   32                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0IH3I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.677  -2.978   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.962  -3.391   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.248  -2.978   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.248  -2.153   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.962  -1.741   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.677  -2.153   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.463  -3.233   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.022  -2.566   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.463  -1.898   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.250  -1.101   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.547  -0.888   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.188  -1.407   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.880  -0.958   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.667  -0.161   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.843  -0.118   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.430   0.597   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.079   0.553   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.904   0.553   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       3.317   1.268   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.142   1.268   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       4.554   1.982   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1       1.667   1.268   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       5.351   1.769   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       5.934   2.352   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.554   2.808   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       5.138   3.391   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.595  -1.370   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       0.847  -2.566   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.391  -1.741   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -3.478  -0.920   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -4.285  -0.749   0.000  1.00  0.00           C  
HETATM   32  S   UNL     1      -4.697  -1.463   0.000  1.00  0.00           S  
HETATM   33  C   UNL     1      -4.145  -2.076   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.697  -0.034   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.285   0.680   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.697   1.395   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.522   1.395   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.934   0.680   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.522  -0.034   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   29                                            
CONECT    7    3    8                                                 
CONECT    8    7    9   28                                            
CONECT    9    8    4   10                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   27                                            
CONECT   14   13   15   17                                            
CONECT   15   14   11   16                                            
CONECT   16   15                                                      
CONECT   17   14   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   23   25                                            
CONECT   22   17                                                      
CONECT   23   21   24                                                 
CONECT   24   23                                                      
CONECT   25   21   26                                                 
CONECT   26   25                                                      
CONECT   27   13                                                      
CONECT   28    8                                                      
CONECT   29    6   30   33                                            
CONECT   30   29   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   29                                                 
CONECT   34   31   35   39                                            
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   34                                                 
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0IH3T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786   0.055   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786  -0.770   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072  -1.182   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357  -0.770   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357   0.055   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072   0.468   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.501  -1.182   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.215  -0.770   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.930  -1.182   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.644  -0.770   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.644   0.055   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.930   0.468   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.215   0.055   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.501   0.468   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.357   0.468   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.072   0.055   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.786   0.468   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.501   0.055   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.215   0.468   0.000  1.00  0.00           C  
HETATM   20  P   UNL     1       3.930   0.055   0.000  1.00  0.00           P  
HETATM   21  O   UNL     1       4.644   0.468   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       3.930  -0.770   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       3.930   0.880   0.000  1.00  0.00           O  
HETATM   24  N   UNL     1       1.203   1.051   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       2.199   1.182   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       3.024   1.182   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   15                                            
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13                                                      
CONECT   15    5   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   24   25                                       
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22   23                                       
CONECT   21   20                                                      
CONECT   22   20                                                      
CONECT   23   20                                                      
CONECT   24   17                                                      
CONECT   25   17   26                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0IH6G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429   0.151   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.429  -0.674   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.715  -1.087   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000  -0.674   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.000   0.151   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.715   0.564   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.715   1.389   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.715   0.564   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.143  -1.087   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.429   0.151   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.143   0.564   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.143   1.389   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.429   1.801   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.715   1.389   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.712  -1.087   0.000  1.00  0.00           C  
HETATM   16  F   UNL     1       0.300  -1.801   0.000  1.00  0.00           F  
HETATM   17  F   UNL     1      -0.002  -0.674   0.000  1.00  0.00           F  
HETATM   18  F   UNL     1       1.125  -0.372   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   15                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    5   10   14                                            
CONECT    9    2                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    8                                                 
CONECT   15    4   16   17   18                                       
CONECT   16   15                                                      
CONECT   17   15                                                      
CONECT   18   15                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D0II7X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.892   1.788   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.479   1.074   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.654   1.074   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.242   1.788   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.654   2.503   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.479   2.503   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.242   0.360   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.583   0.360   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.996   1.074   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.583   1.788   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.496  -0.425   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.171  -0.910   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.838  -0.425   0.000  1.00  0.00           N1+
HETATM   14  C   UNL     1       1.623  -0.680   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.281  -0.680   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.894  -0.128   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.679  -0.383   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.850  -1.190   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.237  -1.742   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.453  -1.487   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.794  -1.487   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.579  -1.742   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.192  -1.190   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.021  -0.383   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.236  -0.128   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.635  -1.445   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.588  -2.503   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.806  -2.249   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       3.977  -1.445   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       4.588  -0.895   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8   11                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    7   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12    8   14                                            
CONECT   14   13   21   25                                            
CONECT   15   11   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   26   17   19                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   14   22                                                 
CONECT   22   21   23                                                 
CONECT   23   29   22   24                                            
CONECT   24   23   25                                                 
CONECT   25   24   14                                                 
CONECT   26   28   18                                                 
CONECT   27   28                                                      
CONECT   28   27   26                                                 
CONECT   29   30   23                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0IK1S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.323  -0.247   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.323  -1.072   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.609  -1.484   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.894  -1.072   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.894  -0.247   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.609   0.166   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -3.110  -1.327   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1      -2.625  -0.659   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.110   0.008   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -1.800  -0.659   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.387   0.055   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.562   0.055   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.800   0.770   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.150  -0.659   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.675  -0.659   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.088   0.055   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.675   0.770   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.150   0.770   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.913   0.055   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.325  -0.659   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       3.150  -0.659   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.563   0.055   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.150   0.770   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.325   0.770   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1       1.913   1.484   0.000  1.00  0.00           F  
HETATM   26  C   UNL     1       4.388   0.055   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.800  -0.659   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.625  -0.659   0.000  1.00  0.00           C  
HETATM   29 CL   UNL     1      -6.038  -1.484   0.000  1.00  0.00          Cl  
HETATM   30  O   UNL     1       6.038  -1.374   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       4.388  -1.374   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   29                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11   14   18                                            
CONECT   13   11                                                      
CONECT   14   12   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   12                                                 
CONECT   19   16   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   19   25                                            
CONECT   25   24                                                      
CONECT   26   22   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   30                                                 
CONECT   29    2                                                      
CONECT   30   28                                                      
CONECT   31   27                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0IK9N
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.000  -0.714   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.412  -1.429   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.238  -1.429   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.650  -0.714   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.238   0.000   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.412   0.000   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.825  -0.714   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.650  -0.714   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.475  -0.714   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.888   0.000   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.713   0.000   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.125  -0.714   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.713  -1.429   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.888  -1.429   0.000  1.00  0.00           C  
HETATM   15 CL   UNL     1      -4.125   0.715   0.000  1.00  0.00          Cl  
HETATM   16  C   UNL     1       2.475  -0.714   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.888  -1.429   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       2.888   0.000   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       3.713   0.000   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.125   0.715   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       3.713   1.429   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       2.888   1.429   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.475   0.715   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.650   0.715   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.062   1.429   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   11                                                      
CONECT   16    4   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18   24   25                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0IK9V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.725  -0.908   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.725  -0.084   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.439  -1.321   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.154  -0.908   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.154  -0.084   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.439   0.329   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.868  -1.321   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.582  -0.908   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.297  -1.321   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.011  -0.908   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.011  -0.084   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.297   0.329   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.582  -0.084   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.011  -1.321   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.296  -0.908   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       0.418  -1.321   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.133  -0.908   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.133  -0.084   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.418   0.329   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.296  -0.084   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.847   0.329   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.562  -0.084   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.276   0.329   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.991  -0.084   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.705   0.329   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       3.991  -0.908   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1       5.459  -0.007   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       6.011   0.607   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.598   1.321   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       4.791   1.149   0.000  1.00  0.00           N  
CONECT    1    2    3   14                                            
CONECT    2    1    6                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    2                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    1   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   27   30                                            
CONECT   26   24                                                      
CONECT   27   25   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0IL0J
  -OEChem-09301911252D

 62 64  0     1  0  0  0  0  0999 V2000
    2.8660   -1.4855    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0429    2.3851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -2.3515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -0.6194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8549    1.1837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1808    0.8509    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2672    1.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -0.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0762   -0.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5788    2.3718    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7788    1.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6728    2.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    2.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5788    1.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6728    0.8163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    2.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4429    2.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    2.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3109    2.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1750    2.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9070    2.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7750    2.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1483    1.4701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5772    1.7946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7656    1.6221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5317   -0.6037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2897   -0.9412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1410   -0.7602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962   -0.1436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.5971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.0931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1164    2.0628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9838    1.7901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2653    0.9921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0664    3.3646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2682    3.3554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.2309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7879    0.7464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1897    1.4362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2682    0.3465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0664    0.3373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5098    2.6609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8396    3.3516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0426    3.3485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    3.4709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9142    1.9020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7112    1.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5717    3.3582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7746    3.3552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0560   -2.8884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3037    3.3649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5066    3.3618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4670    1.8536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3131    2.0838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0829    2.9299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  2 14  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 56  1  0  0  0  0
  5 57  1  0  0  0  0
  8  7  1  1  0  0  0
  7 39  1  0  0  0  0
  7 40  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  1  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 18  2  0  0  0  0
 13 22  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 17  1  0  0  0  0
 15 20  1  0  0  0  0
 15 23  1  6  0  0  0
 15 38  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 21  1  0  0  0  0
 17 19  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 24  2  0  0  0  0
 22 48  1  0  0  0  0
 23 25  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 26  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 26 54  1  0  0  0  0
 26 55  1  0  0  0  0
 27 28  1  0  0  0  0
 27 58  1  0  0  0  0
 27 59  1  0  0  0  0
 28 60  1  0  0  0  0
 28 61  1  0  0  0  0
 28 62  1  0  0  0  0
M  END

$$$$
D0IL0U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.428   2.213   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.428   1.389   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.714   0.976   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.001   1.389   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.001   2.213   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.714   2.626   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.143   0.976   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.143   0.151   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.428  -0.262   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.428  -1.087   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.714  -1.499   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.001  -1.087   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.001  -0.262   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.714   0.151   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.715   2.626   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.430   2.213   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       0.715   3.451   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.144   2.626   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.859   2.213   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.715  -1.499   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.715  -2.324   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       1.430  -2.736   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.144  -2.324   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.144  -1.499   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.430  -1.087   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.857  -0.262   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.572   0.151   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.286  -0.262   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.572   0.976   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.858  -2.736   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       2.446  -3.451   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       2.144  -2.324   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       3.271  -2.022   0.000  1.00  0.00           F  
HETATM   34  C   UNL     1       3.572   2.626   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1       3.572   3.451   0.000  1.00  0.00           O  
HETATM   36  O   UNL     1       4.286   2.213   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   15                                            
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7    9   26                                            
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   20                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    5   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   19                                                 
CONECT   19   18   34                                                 
CONECT   20   12   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   30                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26    8   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   23   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
CONECT   34   19   35   36                                            
CONECT   35   34                                                      
CONECT   36   34                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0IL4Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.439  -1.030   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.439  -1.855   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.725  -2.267   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.010  -1.855   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.010  -1.030   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.725  -0.617   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -3.154  -2.267   0.000  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -0.296  -0.617   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.419  -1.030   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.133  -0.617   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.133   0.208   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.419   0.620   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.296   0.208   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.848  -1.030   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.934  -1.850   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.741  -2.022   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.154  -1.307   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.602  -0.694   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.419   1.445   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1       1.241   1.445   0.000  1.00  0.00           F  
HETATM   21  F   UNL     1       0.419   2.267   0.000  1.00  0.00           F  
HETATM   22  F   UNL     1      -0.403   1.445   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   19   11   13                                            
CONECT   13   12    8                                                 
CONECT   14   10   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   14                                                 
CONECT   19   20   21   22   12                                       
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   19                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0IN5E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.542   0.339   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.828  -0.074   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.113   0.339   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.399  -0.074   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.684   0.339   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.030  -0.074   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.684   1.164   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.399  -0.899   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -3.756   1.135   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.579   1.179   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.875   0.408   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1      -4.234  -0.111   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -4.234  -0.936   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.948  -1.348   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.948  -2.173   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.234  -2.586   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.519  -2.173   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.519  -1.348   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -2.805  -2.586   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1       0.030  -0.899   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.745  -1.311   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.459  -0.899   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.459  -0.074   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.745   0.339   0.000  1.00  0.00           C  
HETATM   25  H   UNL     1       2.174   0.339   0.000  1.00  0.00           H  
HETATM   26  C   UNL     1       2.174  -1.311   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       2.888  -0.899   0.000  1.00  0.00           N  
HETATM   28  O   UNL     1       2.174  -2.136   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       3.603  -1.311   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.603  -2.136   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.317  -2.549   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.032  -2.136   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       5.032  -1.311   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.317  -0.899   0.000  1.00  0.00           C  
HETATM   35 CL   UNL     1       5.746  -2.549   0.000  1.00  0.00          Cl  
HETATM   36  C   UNL     1      -5.032   1.871   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.746   1.459   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.444   2.586   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.317   2.284   0.000  1.00  0.00           C  
CONECT    1    2    9   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5   20   24                                            
CONECT    7    5                                                      
CONECT    8    4                                                      
CONECT    9    1   10                                                 
CONECT   10    9   11   36                                            
CONECT   11   10   12                                                 
CONECT   12   11    1   13                                            
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   13                                                 
CONECT   19   17                                                      
CONECT   20    6   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24   25                                            
CONECT   24   23    6                                                 
CONECT   25   23                                                      
CONECT   26   22   27   28                                            
CONECT   27   26   29                                                 
CONECT   28   26                                                      
CONECT   29   27   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   35                                            
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   32                                                      
CONECT   36   10   37   38   39                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   36                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0IO2A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.619   1.087   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.619   0.262   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.096  -0.151   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.810   0.262   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.810   1.087   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.096   1.499   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.525   1.499   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.350   1.499   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       2.762   0.785   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.937   2.213   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.333  -0.151   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.048   0.262   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.762  -0.151   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.762  -0.976   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.048  -1.388   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.333  -0.976   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.048  -2.213   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   10                                            
CONECT    8    7    9   10                                            
CONECT    9    8                                                      
CONECT   10    8    7                                                 
CONECT   11    2   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   11                                                 
CONECT   17   15                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END

$$$$

$$$$

$$$$
D0IO2X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.064  -2.601   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.064  -3.426   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.349  -3.839   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.635  -3.426   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.635  -2.601   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.349  -2.189   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.677  -3.978   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -2.341  -4.732   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.521  -4.646   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.349  -1.364   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.064  -0.951   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.064  -0.126   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.778  -1.364   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1      -1.396   0.359   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.651   1.143   0.000  1.00  0.00           C  
HETATM   16  S   UNL     1      -2.476   1.143   0.000  1.00  0.00           S  
HETATM   17  C   UNL     1      -2.731   0.359   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.166   1.811   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.341   1.811   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1      -0.086   2.595   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.754   3.080   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.421   2.595   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.080  -2.189   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.794  -2.601   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.509  -2.189   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.509  -1.364   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.794  -0.951   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.080  -1.364   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.293  -2.444   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       2.778  -1.776   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       2.293  -1.109   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.755   3.907   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1      -1.580   3.907   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -0.755   4.732   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1       0.070   3.907   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   23                                            
CONECT    6    5    1   10                                            
CONECT    7    2    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    3                                                 
CONECT   10    6   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11   14   17                                            
CONECT   13   11                                                      
CONECT   14   12   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   32                                            
CONECT   22   21   18                                                 
CONECT   23    5   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   25   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   21   33   34   35                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END

$$$$

$$$$
D0IO8Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.150   0.551   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.865   0.964   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.579   0.551   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       2.294   0.964   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       3.008   0.551   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.564   0.964   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.723   0.964   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       4.548   0.964   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       4.135   1.678   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       5.262   0.551   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       5.262  -0.274   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       5.977   0.964   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1       3.008  -0.274   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1       0.865   1.789   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.579  -0.274   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.865  -0.686   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.040  -0.686   0.000  1.00  0.00           C  
HETATM   18  S   UNL     1      -0.215  -1.471   0.000  1.00  0.00           S  
HETATM   19  C   UNL     1       0.452  -1.956   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.120  -1.471   0.000  1.00  0.00           N  
HETATM   21  S   UNL     1      -0.650   1.784   0.000  1.00  0.00           S  
HETATM   22  C   UNL     1      -1.457   1.956   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.870   1.241   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.318   0.628   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.690   1.155   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.175   1.823   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.996   1.736   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.331   0.983   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.846   0.315   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.026   0.401   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.152   0.896   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.977   0.896   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   14                                            
CONECT    3    2    4   15                                            
CONECT    4    3    5                                                 
CONECT    5    4    7   13                                            
CONECT    6    1   21   24                                            
CONECT    7    5    8    9                                            
CONECT    8    7    9   10                                            
CONECT    9    8    7                                                 
CONECT   10    8   11   12                                            
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13    5                                                      
CONECT   14    2                                                      
CONECT   15    3   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   16                                                 
CONECT   21    6   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23    6                                                 
CONECT   25   23   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   28   32                                                 
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0IP5E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.566   0.082   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.148  -0.330   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.863   0.082   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       1.577  -0.330   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.292   0.082   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       0.863   0.907   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1       3.006  -0.330   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.720   0.082   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.720   0.907   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.006   1.320   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.292   0.907   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.653   0.903   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.460   1.074   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.872   0.360   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.320  -0.253   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.693   0.274   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.178   0.941   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.998   0.855   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.333   0.101   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.849  -0.566   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.028  -0.480   0.000  1.00  0.00           C  
HETATM   22  F   UNL     1      -4.184  -1.320   0.000  1.00  0.00           F  
HETATM   23  H   UNL     1      -2.543  -1.147   0.000  1.00  0.00           H  
HETATM   24  C   UNL     1       3.178  -1.137   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       3.998  -1.223   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1       4.333  -0.470   0.000  1.00  0.00           N  
CONECT    1    2   12   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4    7   11                                            
CONECT    6    3                                                      
CONECT    7    5    8   24                                            
CONECT    8    7    9   26                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    5                                                 
CONECT   12    1   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14    1                                                 
CONECT   16   14   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   16   23                                            
CONECT   22   20                                                      
CONECT   23   21                                                      
CONECT   24    7   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25    8                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0IQ5V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215  -1.236   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215  -2.061   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.501  -2.474   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.786  -2.061   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.786  -1.236   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.501  -0.824   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.072  -2.474   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.357  -2.061   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.357  -1.236   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.072  -0.824   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.072   0.001   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.072  -3.299   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.357   0.414   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.357   0.001   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1      -0.357   1.239   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.072   0.414   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.786   0.001   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.501   0.414   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.501   1.239   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.786   1.651   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.072   1.239   0.000  1.00  0.00           C  
HETATM   22 CL   UNL     1       3.215   1.651   0.000  1.00  0.00          Cl  
HETATM   23  C   UNL     1       0.357  -2.474   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.786   2.476   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1       2.608   2.476   0.000  1.00  0.00           F  
HETATM   26  F   UNL     1       1.786   3.299   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1       0.964   2.476   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8   23    7    9                                            
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   13                                                 
CONECT   12    7                                                      
CONECT   13   11   14   15                                            
CONECT   14   13   16                                                 
CONECT   15   13                                                      
CONECT   16   14   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   24   19   21                                            
CONECT   21   20   16                                                 
CONECT   22   19                                                      
CONECT   23    8                                                      
CONECT   24   25   26   27   20                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0IQ6G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.392  -2.204   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.392  -3.029   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.677  -3.442   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.963  -3.029   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.963  -2.204   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.677  -1.792   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.178  -3.284   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.693  -2.617   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.178  -1.949   0.000  1.00  0.00           C  
HETATM   10 CL   UNL     1      -4.106  -1.792   0.000  1.00  0.00          Cl  
HETATM   11  C   UNL     1      -0.923  -1.165   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.116  -0.993   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.139  -0.209   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.413   0.405   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.220   0.233   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.475  -0.552   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.946  -0.037   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.201   0.748   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.008   0.919   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.262   1.704   0.000  1.00  0.00           N  
HETATM   21  O   UNL     1       2.560   0.306   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       3.069   1.875   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.649   1.361   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.903   2.145   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.158   1.189   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.324   2.660   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       4.106   2.406   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       3.578   3.442   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1       2.542   2.914   0.000  1.00  0.00           F  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   11                                            
CONECT   10    1                                                      
CONECT   11    9   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   13   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20   21                                            
CONECT   20   19   22                                                 
CONECT   21   19                                                      
CONECT   22   26   20                                                 
CONECT   23   18   24   25                                            
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   27   28   29   22                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0IQ6R
  -OEChem-09301911132D

 72 76  0     1  0  0  0  0  0999 V2000
   11.5846   -3.7526    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2171   -4.1134    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2238   -2.3852    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8564   -2.7460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7151    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    0.2849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580   -1.7498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8718    1.2540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.1943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8795    3.2540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -1.7393    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891   -3.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071   -3.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -4.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -4.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2151    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641   -1.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    0.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7397    1.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0077    1.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7436    2.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0116    2.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8680    0.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -1.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -0.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8834    4.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320   -0.2493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -1.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -1.2493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7205   -3.2493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1505   -2.4337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4791   -2.7660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2227   -3.5551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9735   -3.5551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7171   -2.7660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4916   -4.3829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1629   -4.8706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0333   -4.8706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7045   -4.3829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -2.1901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -2.1901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.6782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.9051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.7521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    0.9395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181    1.2849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781    1.2849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9496    1.1672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3507    1.8560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3976    1.8674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7934    1.1756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3538    2.6406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9579    3.3324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8018    3.3408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4006    2.6520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1258   -2.3593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4643    0.0694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5034    4.2516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8858    4.8740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2634    4.2564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702    0.0586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2639   -1.5614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 38  1  0  0  0  0
  2 38  1  0  0  0  0
  3 38  1  0  0  0  0
  4 21  2  0  0  0  0
  5 36  1  0  0  0  0
  5 38  1  0  0  0  0
  6 13  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 25  1  0  0  0  0
  8 19  2  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 31  1  0  0  0  0
 10 24  1  0  0  0  0
 10 26  2  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 34  1  0  0  0  0
 12 26  1  0  0  0  0
 12 32  1  0  0  0  0
 12 66  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 39  1  0  0  0  0
 14 16  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 17  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 17  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 20  1  6  0  0  0
 18 21  1  0  0  0  0
 18 48  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
 22 24  2  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 24 54  1  0  0  0  0
 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
 25 57  1  0  0  0  0
 27 29  1  0  0  0  0
 27 58  1  0  0  0  0
 27 59  1  0  0  0  0
 28 30  1  0  0  0  0
 28 60  1  0  0  0  0
 28 61  1  0  0  0  0
 29 62  1  0  0  0  0
 29 63  1  0  0  0  0
 30 64  1  0  0  0  0
 30 65  1  0  0  0  0
 31 33  2  0  0  0  0
 31 35  1  0  0  0  0
 32 33  1  0  0  0  0
 32 36  2  0  0  0  0
 33 67  1  0  0  0  0
 34 68  1  0  0  0  0
 34 69  1  0  0  0  0
 34 70  1  0  0  0  0
 35 37  2  0  0  0  0
 35 71  1  0  0  0  0
 36 37  1  0  0  0  0
 37 72  1  0  0  0  0
M  END

$$$$
D0IQ8I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.572   0.412   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.001   0.412   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1      -5.001  -1.238   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.716   0.000   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.429   0.000   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.715   0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.000   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.715   0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.429   0.000   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.143   0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.858   0.000   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.858  -0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.572  -1.238   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.287  -0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.287   0.000   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.572   0.412   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       5.001   0.412   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       5.716   0.000   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       5.001  -1.238   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.715   1.238   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1       0.715   1.238   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    1    9                                                 
CONECT    8    2                                                      
CONECT    9    7                                                      
CONECT   10    5   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   26                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   27                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22   23                                            
CONECT   22   21   17                                                 
CONECT   23   21   24                                                 
CONECT   24   23                                                      
CONECT   25   20                                                      
CONECT   26   12                                                      
CONECT   27   14                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0IR7H
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.345  -0.482   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.369  -0.070   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.084  -0.482   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.798  -0.070   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.060  -0.070   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.060   0.755   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.774   1.168   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.488   0.755   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.488  -0.070   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.774  -0.482   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.203  -0.482   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.203  -1.307   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.488  -1.720   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.774  -1.307   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.369   0.755   0.000  1.00  0.00           O  
HETATM   16  H   UNL     1      -3.917  -0.070   0.000  1.00  0.00           H  
HETATM   17 CL   UNL     1      -3.917  -1.720   0.000  1.00  0.00          Cl  
HETATM   18  C   UNL     1       2.513  -0.482   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.227  -0.070   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.227   0.755   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.513   1.168   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.798   0.755   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.684  -1.289   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.505  -1.376   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.840  -0.622   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       3.917  -2.090   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.980   2.090   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1      -1.266   1.677   0.000  1.00  0.00           F  
HETATM   29  C   UNL     1      -1.155   1.939   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1      -0.441   1.527   0.000  1.00  0.00           F  
CONECT    1    2    5                                                 
CONECT    2    1    3   15                                            
CONECT    3    2    4                                                 
CONECT    4    3   18   22                                            
CONECT    5    1    6   10                                            
CONECT    6    5    7                                                 
CONECT    7    6    8   27   29                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12   16                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15    2                                                      
CONECT   16   11                                                      
CONECT   17   12                                                      
CONECT   18    4   19   23                                            
CONECT   19   18   20   25                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21    4                                                 
CONECT   23   18   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   19                                                 
CONECT   26   24                                                      
CONECT   27    7   28                                                 
CONECT   28   27                                                      
CONECT   29    7   30                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0IS1M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.303  -0.344   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.478  -0.344   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.065   0.370   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.478   1.085   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.303   1.085   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.716   0.370   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.926  -0.957   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.172  -0.622   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.259   0.199   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.840  -1.778   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.033  -1.949   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.380  -1.235   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       0.325   0.782   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.122   0.569   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.335  -0.228   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.132  -0.442   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.716   0.142   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.502   0.939   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.705   1.152   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.492   1.949   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8   10                                            
CONECT    8    7    9   12                                            
CONECT    9    8    3   13                                            
CONECT   10    7   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    8                                                 
CONECT   13    9   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14   20                                            
CONECT   20   19                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0IS8B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.359  -0.968   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.359  -1.793   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.644  -2.206   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.930  -1.793   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.930  -0.968   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.644  -0.556   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.215  -2.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.501  -1.793   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.786  -2.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.072  -1.793   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.072  -0.968   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.786  -0.556   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.501  -0.968   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.644   0.269   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.357  -0.556   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.357  -0.968   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1      -0.357   0.269   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.072  -0.556   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.786  -0.968   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.501  -0.556   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.501   0.269   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.786   0.682   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.072   0.269   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.357   0.682   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.977   0.754   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -4.232   1.539   0.000  1.00  0.00           N  
HETATM   27  N   UNL     1      -5.057   1.539   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -5.311   0.754   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.747   2.206   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.215  -0.968   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       3.930  -0.556   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       4.644  -0.968   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       5.359  -0.556   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       5.359   0.269   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       4.644   0.682   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.930   0.269   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   14                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    6   25   28                                            
CONECT   15   11   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   30                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18   24                                            
CONECT   24   23                                                      
CONECT   25   14   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   14                                                 
CONECT   29   26                                                      
CONECT   30   20   31                                                 
CONECT   31   30   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0IS8R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.104  -3.004   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.104  -2.179   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.390  -3.416   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.675  -3.004   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.675  -2.179   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.390  -1.766   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.390  -0.941   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.675  -0.529   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.675   0.296   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.039   0.709   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.039   1.534   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.707   2.019   0.000  1.00  0.00           C  
HETATM   13  S   UNL     1       0.452   2.803   0.000  1.00  0.00           S  
HETATM   14  C   UNL     1      -0.373   2.803   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.628   2.019   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.925   3.416   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.732   3.245   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.987   2.460   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.435   1.847   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.491   1.764   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       2.104   2.316   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       1.663   0.957   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       0.039  -3.416   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.754  -3.004   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.754  -2.179   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.039  -1.766   0.000  1.00  0.00           C  
CONECT    1    2    3                                                 
CONECT    2    1    6                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   23                                            
CONECT    5    4    6   26                                            
CONECT    6    5    2    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13   20                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   11   19                                            
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   15                                                 
CONECT   20   12   21   22                                            
CONECT   21   20                                                      
CONECT   22   20                                                      
CONECT   23    4   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25    5                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0IT3V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.018   1.354   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.018   0.529   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.732   0.116   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.447   0.529   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.447   1.354   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.732   1.766   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1       0.732   2.591   0.000  1.00  0.00          Cl  
HETATM    8  F   UNL     1       2.161   1.766   0.000  1.00  0.00           F  
HETATM    9  N   UNL     1      -0.697   0.116   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.697  -0.709   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.364  -1.194   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.109  -1.978   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.284  -1.978   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.029  -1.194   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.268  -2.591   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.075  -2.420   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.330  -1.635   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.778  -1.022   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.161  -0.980   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    5                                                      
CONECT    9    2   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12   19                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13   10   18                                            
CONECT   15   13   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   14                                                 
CONECT   19   11                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D0IT4N
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.118   0.420   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.321   0.633   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.737   0.050   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.060   0.264   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.774  -0.149   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.187   0.566   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.472   0.978   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       1.983   0.779   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       2.567   0.196   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.353  -0.601   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.937  -1.184   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.733  -0.971   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.947  -0.174   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.364   0.409   0.000  1.00  0.00           C  
HETATM   15  F   UNL     1       4.744   0.040   0.000  1.00  0.00           F  
HETATM   16  C   UNL     1       4.317  -1.554   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.759   0.939   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.451   0.490   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.237  -0.307   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.413  -0.350   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.802   1.763   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.537   2.138   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.229   1.688   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.186   0.864   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.321   1.458   0.000  1.00  0.00           O  
HETATM   26  F   UNL     1       2.723  -1.981   0.000  1.00  0.00           F  
HETATM   27  C   UNL     1       4.900  -2.138   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.900  -0.971   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.733  -2.138   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.900   0.866   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.186   0.453   0.000  1.00  0.00           O  
CONECT    1    2   17   20                                            
CONECT    2    1    3   25                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    7    8                                            
CONECT    7    6    4                                                 
CONECT    8    6    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   26                                            
CONECT   12   11   13   16                                            
CONECT   13   12   14   15                                            
CONECT   14   13    9                                                 
CONECT   15   13                                                      
CONECT   16   12   27   28   29                                       
CONECT   17    1   18   21                                            
CONECT   18   17   19   24                                            
CONECT   19   18   20                                                 
CONECT   20   19    1                                                 
CONECT   21   17   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   18   30                                            
CONECT   25    2                                                      
CONECT   26   11                                                      
CONECT   27   16                                                      
CONECT   28   16                                                      
CONECT   29   16                                                      
CONECT   30   24   31                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0IT9C
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.365   1.593   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.365   0.768   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.650   0.356   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.936   0.768   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.936   1.593   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.650   2.006   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.221   2.006   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.221   0.356   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.221  -0.469   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.507  -0.882   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.507  -1.707   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.207  -2.119   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.922  -1.707   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.922  -0.882   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.207  -0.469   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.507   1.593   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.207   2.006   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.207   2.831   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.507   3.243   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.221   2.831   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.922   3.243   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.637   2.831   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1       0.922   4.068   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       1.637  -2.119   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.637  -2.944   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.351  -3.357   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.065  -2.944   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.065  -2.119   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.351  -1.707   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.351   3.243   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.065   2.831   0.000  1.00  0.00           C  
HETATM   32 CL   UNL     1       0.207  -2.944   0.000  1.00  0.00          Cl  
HETATM   33  C   UNL     1       2.351  -0.882   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.778   3.245   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1       3.778   4.070   0.000  1.00  0.00           O  
HETATM   36  O   UNL     1       4.492   2.832   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1       3.778  -3.355   0.000  1.00  0.00           C  
HETATM   38  F   UNL     1       3.365  -4.070   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1       3.063  -2.943   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1       4.190  -2.641   0.000  1.00  0.00           F  
HETATM   41  C   UNL     1      -4.080   2.007   0.000  1.00  0.00           C  
HETATM   42  F   UNL     1      -3.667   2.722   0.000  1.00  0.00           F  
HETATM   43  F   UNL     1      -3.365   1.595   0.000  1.00  0.00           F  
HETATM   44  F   UNL     1      -4.492   1.293   0.000  1.00  0.00           F  
CONECT    1    2    6   41                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5   16   20                                            
CONECT    8    4    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   32                                            
CONECT   13   12   14   24                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    7   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19    7                                                 
CONECT   21   18   22   23                                            
CONECT   22   21   30                                                 
CONECT   23   21                                                      
CONECT   24   13   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   37                                            
CONECT   28   27   29                                                 
CONECT   29   28   24   33                                            
CONECT   30   22   31                                                 
CONECT   31   30   34                                                 
CONECT   32   12                                                      
CONECT   33   29                                                      
CONECT   34   31   35   36                                            
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   27   38   39   40                                       
CONECT   38   37                                                      
CONECT   39   37                                                      
CONECT   40   37                                                      
CONECT   41    1   42   43   44                                       
CONECT   42   41                                                      
CONECT   43   41                                                      
CONECT   44   41                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
M  END

$$$$
D0IU1H
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.583   0.750   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.869   0.337   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.154   0.750   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.440   0.337   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.275   0.750   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.989   0.337   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.440  -0.488   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.797   1.547   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.620   1.590   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.916   0.820   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1      -3.275   0.301   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.275  -0.524   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.990  -0.937   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.990  -1.762   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.275  -2.174   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.561  -1.762   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.561  -0.937   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.989  -0.488   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.704  -0.900   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.418  -0.488   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.418   0.337   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.704   0.750   0.000  1.00  0.00           C  
HETATM   23  F   UNL     1       3.133   0.750   0.000  1.00  0.00           F  
HETATM   24  C   UNL     1      -1.847  -2.584   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.561  -2.997   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.847  -1.759   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.073   2.283   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1      -4.787   1.870   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -4.485   2.997   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -3.358   2.695   0.000  1.00  0.00           F  
HETATM   31  C   UNL     1       2.644  -1.594   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       3.358  -2.007   0.000  1.00  0.00           N  
HETATM   33  S   UNL     1       4.073  -1.594   0.000  1.00  0.00           S  
HETATM   34  O   UNL     1       3.660  -0.880   0.000  1.00  0.00           O  
HETATM   35  O   UNL     1       4.485  -2.309   0.000  1.00  0.00           O  
HETATM   36  N   UNL     1       4.787  -1.182   0.000  1.00  0.00           N  
CONECT    1    2    8   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5   18   22                                            
CONECT    7    4                                                      
CONECT    8    1    9                                                 
CONECT    9    8   10   27                                            
CONECT   10    9   11                                                 
CONECT   11   10    1   12                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   24                                            
CONECT   17   16   12                                                 
CONECT   18    6   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   31                                            
CONECT   21   20   22   23                                            
CONECT   22   21    6                                                 
CONECT   23   21                                                      
CONECT   24   16   25   26                                            
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27    9   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
CONECT   31   20   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   35   36                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0IV0E
  -OEChem-09301911162D

 47 49  0     0  0  0  0  0  0999 V2000
    3.7320    2.5453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5686    3.5398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    2.8817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -2.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3776    2.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5468    3.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -1.0373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -0.3470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.3470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.0373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.4376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    1.1279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.1279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.4376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.9178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.1447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.9916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291   -2.5107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0560   -3.3576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -3.1307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -1.3987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6760   -0.5517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8291   -0.7787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.1447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.7647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.7647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.5747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1079    3.9547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5066    1.5321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7990    4.3141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 18  1  0  0  0  0
  4 21  1  0  0  0  0
  4 23  1  0  0  0  0
  4 45  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 10  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 11  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 12  1  0  0  0  0
  9 16  2  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 17  2  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 19  1  0  0  0  0
 16 41  1  0  0  0  0
 17 20  1  0  0  0  0
 17 42  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 22  2  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
M  END

$$$$
D0IV8T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.819  -3.356   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.819  -4.181   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.104  -4.593   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.390  -4.181   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.390  -3.356   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.104  -2.943   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.675  -4.593   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.039  -4.181   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.039  -3.356   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.675  -2.943   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.675  -2.118   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.039  -1.706   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.039  -0.881   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.754  -0.468   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.754   0.357   0.000  1.00  0.00           C  
HETATM   16  CA  UNL     1       1.421   0.842   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.166   1.626   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.341   1.626   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.086   0.842   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.211   2.239   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.018   2.068   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.273   1.283   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.721   0.670   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.206   0.587   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       2.819   1.139   0.000  1.00  0.00           O  
HETATM   26  OXT UNL     1       2.377  -0.220   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       0.044   3.024   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.851   3.196   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.106   3.980   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.554   4.593   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.253   4.422   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.508   3.637   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17   24                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   15   23                                            
CONECT   20   18   21   27                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   19                                                 
CONECT   24   16   25   26                                            
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   20   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0IW7A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.598   0.290   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.598  -0.535   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.884  -0.948   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.169  -0.535   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.169   0.290   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.884   0.702   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.455   0.702   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.740   0.290   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.026   0.702   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.026   1.527   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.740   1.940   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.455   1.527   0.000  1.00  0.00           C  
HETATM   13 CL   UNL     1      -3.169   1.940   0.000  1.00  0.00          Cl  
HETATM   14  N   UNL     1      -0.311   0.290   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.403   0.702   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.118   0.290   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       0.403   1.527   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.118  -0.535   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.832  -0.948   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.547  -0.535   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.547   0.290   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.832   0.702   0.000  1.00  0.00           C  
HETATM   23 CL   UNL     1       1.832   1.527   0.000  1.00  0.00          Cl  
HETATM   24  N   UNL     1       3.261  -0.948   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       3.347  -1.768   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.154  -1.940   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.567  -1.225   0.000  1.00  0.00           C  
HETATM   28  S   UNL     1       4.015  -0.612   0.000  1.00  0.00           S  
HETATM   29  O   UNL     1       3.801   0.185   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       4.598  -0.029   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7   13                                            
CONECT   13   12                                                      
CONECT   14    9   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   18   22                                            
CONECT   17   15                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   16   23                                            
CONECT   23   22                                                      
CONECT   24   20   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   24   29   30                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0IX2C
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.644   1.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.644   1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.930   0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.215   1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.215   1.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.930   2.269   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.501   0.619   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.786   1.031   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.786   1.856   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.501   2.269   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.501   3.094   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.072   0.619   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.786  -0.619   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.786  -1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.072  -1.856   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.357  -1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.357  -0.619   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.072  -0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.357  -0.206   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       0.357   0.619   0.000  1.00  0.00           O  
HETATM   22  N   UNL     1       1.072  -0.619   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.072  -1.444   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.786  -1.856   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.501  -1.444   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       2.501  -0.619   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.215  -1.856   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       3.215  -2.681   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       3.930  -3.094   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.644  -2.681   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.644  -1.856   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       3.930  -1.444   0.000  1.00  0.00           N  
HETATM   34  F   UNL     1      -3.930   3.094   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   34                                            
CONECT    7    4    8   13                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    8                                                      
CONECT   13    7   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   14                                                 
CONECT   20   18   21   22                                            
CONECT   21   20                                                      
CONECT   22   20   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   25   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34    6                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0IX7O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.765   0.159   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.765  -0.666   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.479  -1.079   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.479  -1.904   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.765  -2.316   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.050  -1.904   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.050  -1.079   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.266  -2.159   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.781  -1.491   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.266  -0.824   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.052  -0.027   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.255   0.187   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.042   0.984   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.625   1.567   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.422   1.353   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.635   0.556   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.853  -2.873   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.266  -3.588   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.028  -2.873   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.412   2.364   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.615   2.577   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.031   1.994   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.766   2.207   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.979   3.004   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.396   3.588   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.401   3.374   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -0.245   1.197   0.000  1.00  0.00           F  
HETATM   28  O   UNL     1       1.349   1.624   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       2.146   1.838   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.729   1.254   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.516   0.457   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       3.099  -0.126   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       3.896   0.087   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       4.109   0.884   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       3.526   1.468   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.479  -0.496   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7    8                                            
CONECT    7    6    2   10                                            
CONECT    8    6    9   17                                            
CONECT    9    8   10                                                 
CONECT   10    9    7   11                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   20                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    8   18   19                                            
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20   14   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23   27                                            
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   22                                                      
CONECT   28   23   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   36                                            
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
CONECT   36   33                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0IY1Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.668  -1.894   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.843  -1.894   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.431  -1.179   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.843  -0.465   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.668  -0.465   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.081  -1.179   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.291  -2.507   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.537  -2.171   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.624  -1.351   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.205  -3.327   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.398  -3.499   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.985  -2.784   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.040  -0.767   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.215  -0.767   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.197  -1.482   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       0.368  -0.184   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.193  -0.184   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.193   0.641   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       0.368   0.641   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.606   1.355   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.431   1.355   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.843   2.070   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.193   2.070   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       3.668   2.070   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.081   2.784   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.668   3.499   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.843   3.499   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.431   2.784   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8   10                                            
CONECT    8    7    9   12                                            
CONECT    9    8    3   13                                            
CONECT   10    7   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    8                                                 
CONECT   13    9   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   16                                                 
CONECT   20   18   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   24   28                                            
CONECT   23   20                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   22                                                 
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0IY5H
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215   0.928   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215   0.103   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.501  -0.309   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.786   0.103   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.786   0.928   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.501   1.341   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.072  -0.309   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.072  -1.134   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.072   1.341   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.072   2.166   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.786   2.578   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.357   0.928   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.357   1.341   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.072   0.928   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.786   1.341   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.786   2.166   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.072   2.578   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.357   2.166   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.786  -1.547   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.786  -2.372   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.072  -2.784   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.357  -2.372   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.357  -1.547   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       1.072   0.103   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.357   2.578   0.000  1.00  0.00           C  
HETATM   26  H   UNL     1       1.072   3.403   0.000  1.00  0.00           H  
HETATM   27  C   UNL     1       1.786  -0.309   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.501   0.103   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1       3.215  -0.309   0.000  1.00  0.00           F  
HETATM   30  O   UNL     1      -1.431  -2.991   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -0.717  -3.403   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7   19   23                                            
CONECT    9    5   10   12                                            
CONECT   10    9   11   25                                            
CONECT   11   10                                                      
CONECT   12    9   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15   24                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   26                                            
CONECT   18   17   13                                                 
CONECT   19    8   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   30                                            
CONECT   22   21   23                                                 
CONECT   23   22    8                                                 
CONECT   24   14   27                                                 
CONECT   25   10                                                      
CONECT   26   17                                                      
CONECT   27   24   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28                                                      
CONECT   30   21   31                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0IY8T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.931  -0.263   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.931  -1.088   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.216  -1.500   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.502  -1.088   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.502  -0.263   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.216   0.150   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.787   0.150   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.073  -0.263   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.358   0.150   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.358   0.975   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.073   1.387   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.787   0.975   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.073   2.212   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.356  -0.263   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.356  -1.088   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.071  -1.500   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.785  -1.088   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.785  -0.263   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.071   0.150   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.499   0.150   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.214  -0.263   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.928   0.150   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.928   0.975   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.214   1.387   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.499   0.975   0.000  1.00  0.00           C  
HETATM   26  S   UNL     1       4.643  -0.263   0.000  1.00  0.00           S  
HETATM   27  O   UNL     1       4.643  -1.088   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1       5.357   0.150   0.000  1.00  0.00           O  
HETATM   29  N   UNL     1       5.357  -0.675   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.645  -1.500   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -5.056  -0.788   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -5.357  -1.911   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -4.234  -2.212   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2   30    1    3                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11    7                                                 
CONECT   13   11                                                      
CONECT   14    9   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   14                                                 
CONECT   20   18   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   22   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30   31   32   33    2                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0IZ8B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.545  -0.830   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.331  -1.627   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.534  -1.840   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.951  -1.257   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.164  -0.460   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.961  -0.246   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.175   0.551   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.656   1.192   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.105   1.884   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.902   1.670   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.945   0.846   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.543   2.189   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.313   1.894   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.414   3.004   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.257   2.602   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.832   1.149   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.117   0.736   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.117  -0.089   0.000  1.00  0.00           O  
HETATM   19  N   UNL     1      -0.403   1.149   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       0.312   0.736   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.312  -0.089   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.026  -0.501   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.741  -0.089   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.741   0.736   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.026   1.149   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1       1.026   1.974   0.000  1.00  0.00           F  
HETATM   27  O   UNL     1       2.455  -0.501   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       2.455  -1.326   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.741  -1.739   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.741  -2.564   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       2.455  -2.976   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       3.170  -2.564   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.170  -1.739   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       3.884  -2.976   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       4.599  -2.564   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.599  -1.739   0.000  1.00  0.00           C  
HETATM   37  N   UNL     1       3.884  -1.326   0.000  1.00  0.00           N  
HETATM   38  O   UNL     1       5.313  -2.976   0.000  1.00  0.00           O  
HETATM   39  O   UNL     1      -3.914  -2.210   0.000  1.00  0.00           O  
HETATM   40  C   UNL     1      -3.702  -3.004   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2   39    1    3                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   11                                            
CONECT    8    7    9   16                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10    7                                                 
CONECT   12   10   13   14   15                                       
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15   12                                                      
CONECT   16    8   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   20   26                                            
CONECT   26   25                                                      
CONECT   27   23   28                                                 
CONECT   28   27   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   34                                            
CONECT   33   32   28   37                                            
CONECT   34   32   35                                                 
CONECT   35   34   36   38                                            
CONECT   36   35   37                                                 
CONECT   37   36   33                                                 
CONECT   38   35                                                      
CONECT   39   40    2                                                 
CONECT   40   39                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0J0AT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.988  -0.167   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.400   0.547   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.181   0.005   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.094   0.825   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.848   1.161   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.380   1.238   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.665   0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.951   1.238   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.951   2.062   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.665   2.475   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.380   2.062   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -3.094   2.475   0.000  1.00  0.00          Cl  
HETATM   13  N   UNL     1      -0.237   0.825   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.478   1.238   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.323  -0.921   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.144  -1.007   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.479  -1.761   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.994  -2.428   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.174  -2.342   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.838  -1.588   0.000  1.00  0.00           C  
HETATM   21  S   UNL     1      -3.018  -1.502   0.000  1.00  0.00           S  
HETATM   22  C   UNL     1       1.192   0.825   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       0.478   2.062   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       1.192   0.000   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.907  -0.412   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.621   0.000   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.621   0.825   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.907   1.238   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.907   2.062   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       3.336  -0.412   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       3.336  -1.238   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.050  -1.650   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       4.765  -1.238   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1       4.765  -0.412   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.050   0.000   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       5.479  -1.650   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       5.479   0.000   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       4.050  -2.475   0.000  1.00  0.00           C  
CONECT    1    2    3   15                                            
CONECT    2    1    5                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    2                                                 
CONECT    6    4    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    6   12                                            
CONECT   12   11                                                      
CONECT   13    8   14                                                 
CONECT   14   13   22   23                                            
CONECT   15    1   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
CONECT   22   14   24   28                                            
CONECT   23   14                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   22   29                                            
CONECT   29   28                                                      
CONECT   30   26   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33   38                                            
CONECT   33   32   34   36                                            
CONECT   34   33   35   37                                            
CONECT   35   34   30                                                 
CONECT   36   33                                                      
CONECT   37   34                                                      
CONECT   38   32                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0J0BB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.367  -0.523   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.367   0.302   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.653   0.714   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.062   0.302   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.062  -0.523   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.653  -0.936   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.082  -0.936   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.776   0.714   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.491   0.302   0.000  1.00  0.00           C  
HETATM   10  S   UNL     1       1.577  -0.519   0.000  1.00  0.00           S  
HETATM   11  C   UNL     1       2.384  -0.690   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.796   0.024   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.244   0.637   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       2.416   1.444   0.000  1.00  0.00           O  
HETATM   15  S   UNL     1       2.719  -1.444   0.000  1.00  0.00           S  
HETATM   16  O   UNL     1      -2.082   0.714   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.796  -0.523   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   16                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1   17                                                 
CONECT    8    4    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12    9   14                                            
CONECT   14   13                                                      
CONECT   15   11                                                      
CONECT   16    2                                                      
CONECT   17    7                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D0J0EP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215  -1.236   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215  -2.061   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.501  -2.474   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.786  -2.061   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.786  -1.236   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.501  -0.824   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.072  -2.474   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.357  -2.061   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.357  -1.236   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.072  -0.824   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.072   0.001   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.072  -3.299   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.357   0.414   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.357   0.001   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1      -0.357   1.239   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.072   0.414   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.786   0.001   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.501   0.414   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.501   1.239   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.786   1.651   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.072   1.239   0.000  1.00  0.00           C  
HETATM   22 CL   UNL     1       3.215   1.651   0.000  1.00  0.00          Cl  
HETATM   23  C   UNL     1       0.357  -2.474   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.786   2.476   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1       2.608   2.476   0.000  1.00  0.00           F  
HETATM   26  F   UNL     1       1.786   3.299   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1       0.964   2.476   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8   23    7    9                                            
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   13                                                 
CONECT   12    7                                                      
CONECT   13   11   14   15                                            
CONECT   14   13   16                                                 
CONECT   15   13                                                      
CONECT   16   14   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   24   19   21                                            
CONECT   21   20   16                                                 
CONECT   22   19                                                      
CONECT   23    8                                                      
CONECT   24   25   26   27   20                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0J0JH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.072  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.072  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.357  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.357  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.357  -0.206   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.357   0.206   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.786  -1.444   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.786   1.031   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -3.215   0.206   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.357  -2.269   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.072   0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.501   0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.501   1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.786   1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.072   1.031   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       1.786   2.269   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1       3.215   1.444   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4   13                                            
CONECT    4    3    5                                                 
CONECT    5    4   14                                                 
CONECT    6    1                                                      
CONECT    7    1    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9    2                                                 
CONECT   11    7                                                      
CONECT   12    8                                                      
CONECT   13    3                                                      
CONECT   14    5   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19   20                                            
CONECT   19   18   14                                                 
CONECT   20   18                                                      
CONECT   21   17                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0J0NM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.679   0.260   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.893   1.057   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.373   1.698   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.823   2.390   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.620   2.176   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.663   1.353   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.410   3.104   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1      -2.460   1.139   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       0.452   1.698   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.936   1.031   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.721   1.286   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.721   2.111   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.936   2.365   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.334   2.663   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.163   3.470   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.378   3.724   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.765   3.172   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.262  -0.323   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.049  -1.120   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.252  -1.334   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.331  -0.750   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       0.118   0.046   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.059  -0.110   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.643  -0.693   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.429  -1.490   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.632  -1.704   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.334   2.589   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.131   2.375   0.000  1.00  0.00           O  
HETATM   29  N   UNL     1      -0.039  -2.131   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -0.622  -2.714   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.408  -3.511   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       0.389  -3.724   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       0.972  -3.141   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       0.758  -2.344   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.769  -3.355   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.131   2.449   0.000  1.00  0.00           C  
CONECT    1    2   18   22                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   27                                            
CONECT    6    5    2    8                                            
CONECT    7    4                                                      
CONECT    8    6                                                      
CONECT    9    3   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    9   17                                            
CONECT   14   12   15   36                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   13                                                 
CONECT   18    1   19   23                                            
CONECT   19   18   20   26                                            
CONECT   20   19   21   29                                            
CONECT   21   20   22                                                 
CONECT   22   21    1                                                 
CONECT   23   18   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   19                                                 
CONECT   27    5   28                                                 
CONECT   28   27                                                      
CONECT   29   20   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   35                                            
CONECT   34   33   29                                                 
CONECT   35   33                                                      
CONECT   36   14                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0J0UC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.934   0.498   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.934  -0.327   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.649  -0.740   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       3.363  -0.327   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       3.363   0.498   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.649   0.910   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       4.078  -0.740   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       4.792  -0.327   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       4.792   0.498   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       4.078   0.910   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1       5.507   0.910   0.000  1.00  0.00           O  
HETATM   12  F   UNL     1       1.220  -0.740   0.000  1.00  0.00           F  
HETATM   13  C   UNL     1       1.220   0.910   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       1.220   1.735   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1       0.505   0.498   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.292   0.711   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.505  -0.085   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.292  -0.299   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.220  -0.498   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.934  -0.085   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.649  -0.498   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.363  -0.085   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.078  -0.498   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.078  -1.323   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.363  -1.735   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.649  -1.323   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.792  -0.085   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.507  -0.498   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.507  -1.323   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.792  -1.735   0.000  1.00  0.00           C  
CONECT    1    2    6   13                                            
CONECT    2    1    3   12                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9                                                      
CONECT   12    2                                                      
CONECT   13    1   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   15                                                 
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   27                                            
CONECT   24   23   25   30                                            
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   23   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   24                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0J0UN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215   1.444   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.786  -0.206   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.072   0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.072   1.031   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.786   1.444   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.786  -1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.357   1.444   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.357   1.031   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.357   0.206   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       1.072  -0.206   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.786   0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.786   1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.072   1.444   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.072   2.269   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.357  -0.206   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       1.072  -1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.357  -1.444   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.357  -1.856   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.072  -2.269   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.501  -0.206   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       2.501  -1.031   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.215  -1.444   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.930  -1.031   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.930  -0.206   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.215   0.206   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       3.215  -2.269   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9    5                                                 
CONECT   11    7                                                      
CONECT   12    9   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15   20                                            
CONECT   15   14   16   21                                            
CONECT   16   15   17   25                                            
CONECT   17   16   18                                                 
CONECT   18   17   13   19                                            
CONECT   19   18                                                      
CONECT   20   14                                                      
CONECT   21   15   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23                                                      
CONECT   25   16   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   27                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0J0WG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.715  -0.412   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.715  -1.238   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.000  -1.650   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.715  -1.238   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.715  -0.412   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.000   0.000   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.429  -1.650   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.143  -1.238   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.858  -1.650   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.143  -0.412   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.429  -1.650   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.143  -1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.858  -1.650   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.143  -0.412   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.000   0.825   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       0.715   1.238   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.429   1.650   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.715   1.238   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.143   1.238   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.429   0.000   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.858   0.825   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   11                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   15                                            
CONECT    7    2    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11    4   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15    6   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16                                                      
CONECT   18   15   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   22                                                 
CONECT   21   19                                                      
CONECT   22   20                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0J1HQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.603   0.604   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.191  -0.111   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.366  -0.111   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.953   0.604   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.366   1.318   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.191   1.318   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -4.428   0.604   0.000  1.00  0.00          Cl  
HETATM    8  O   UNL     1      -1.128   0.604   0.000  1.00  0.00           O  
HETATM    9  N   UNL     1      -1.953  -0.825   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.128  -0.825   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.643  -1.492   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.141  -1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.141  -0.412   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.643  -0.158   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.856  -1.650   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.570  -1.238   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.570  -0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.856   0.000   0.000  1.00  0.00           C  
HETATM   19  S   UNL     1       2.285   0.000   0.000  1.00  0.00           S  
HETATM   20  N   UNL     1       2.999   0.412   0.000  1.00  0.00           N  
HETATM   21  O   UNL     1       1.872   0.714   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       2.697  -0.714   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       3.714   0.000   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.428   0.412   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       4.428   1.238   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       3.714   1.650   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.999   1.238   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    9                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    4                                                      
CONECT    9    3   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14   18                                            
CONECT   14   13   10                                                 
CONECT   15   12   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   13                                                 
CONECT   19   17   20   21   22                                       
CONECT   20   19   23   27                                            
CONECT   21   19                                                      
CONECT   22   19                                                      
CONECT   23   20   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   20                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0J1KT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1 CL   UNL     1      -6.778  -0.547   0.000  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -6.063  -0.134   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.634   0.691   0.000  1.00  0.00           C  
HETATM    4  O   UNL     1      -3.920   1.103   0.000  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.205   0.691   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.205  -0.134   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.491  -0.547   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.776  -0.134   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.776   0.691   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.491   1.103   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.062   1.103   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.347   0.691   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.367   1.103   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.082   0.691   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.494  -0.024   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.209   0.389   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.796   1.103   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.923  -0.024   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       3.638   0.389   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       2.923  -0.849   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       4.352  -0.024   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.352  -0.849   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       5.137  -1.103   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       5.622  -0.436   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       5.137   0.231   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       6.442  -0.350   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       6.778   0.404   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       6.293   1.071   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       5.472   0.985   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -5.349   1.103   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.063   0.691   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.349  -0.547   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.634  -0.134   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1   31   32                                            
CONECT    3    4   30   33                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   10                                            
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   14                                                 
CONECT   18   16   19   20                                            
CONECT   19   18   21                                                 
CONECT   20   18                                                      
CONECT   21   19   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   21   29                                            
CONECT   26   24   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   25                                                 
CONECT   30    3   31                                                 
CONECT   31   30    2                                                 
CONECT   32    2   33                                                 
CONECT   33   32    3                                                 
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0J1LK
  -OEChem-09301911232D

 48 53  0     0  0  0  0  0  0999 V2000
    6.1279    5.7876    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9989   -0.3795    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8349   -4.0806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    2.7876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4289   -3.0692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.2876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298    1.2876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836   -0.0172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836    1.5923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2560   -4.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3443   -5.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1561   -5.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8399   -3.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3990   -2.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0303   -2.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9843   -2.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6051   -1.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5938   -1.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -0.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298    0.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    1.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    1.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    2.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    3.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939    3.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    4.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939    4.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    4.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8358   -5.0120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9952   -4.6912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9004   -5.6364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8870   -6.3461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7529   -5.9556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7968   -3.1092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4412   -3.5804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4659   -2.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5395   -1.8726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5590   -1.5619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4671   -2.3549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3400    1.2050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7385    1.8952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    0.7876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7249    2.9776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5309    2.9776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7249    4.5976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5309    4.5976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2 18  1  0  0  0  0
  2 20  1  0  0  0  0
  3 13  2  0  0  0  0
  4 22  2  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 20  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 21  2  0  0  0  0
  8 25  1  0  0  0  0
  9 25  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 14 16  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 18  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 44  1  0  0  0  0
 26 28  1  0  0  0  0
 26 45  1  0  0  0  0
 27 29  2  0  0  0  0
 27 46  1  0  0  0  0
 28 30  2  0  0  0  0
 28 47  1  0  0  0  0
 29 30  1  0  0  0  0
 29 48  1  0  0  0  0
M  END

$$$$
D0J1OK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.429   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.715  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000   0.000   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.000   0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.715   1.238   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.143  -0.412   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.715  -0.412   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.429   0.000   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1       2.143  -0.412   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1       0.715  -1.238   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    4    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9                                                      
CONECT   11    8                                                      
MASTER        0    0    0    0    0    0    0    0   11    0   11    0
END
M  END

$$$$
D0J1RB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215   0.001   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215  -0.824   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.501  -1.236   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.786  -0.824   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.786   0.001   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.501   0.414   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.072  -1.236   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.357  -0.824   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.357   0.001   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.072   0.414   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.072   1.239   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.357   0.414   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.072   0.001   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.786   0.414   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.786   1.239   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.072   1.651   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.357   1.239   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       2.501   0.001   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.501  -0.824   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.215  -1.236   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.215  -2.061   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.930  -2.474   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.501  -2.474   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.501   1.239   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.213   1.650   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.930  -1.236   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.930  -2.058   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       2.501   1.651   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       2.501   2.474   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2   26    1    3                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6   24    5    1                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    9   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   28   14   16                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   14   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24   25    6                                                 
CONECT   25   24                                                      
CONECT   26   27    2                                                 
CONECT   27   26                                                      
CONECT   28   29   15                                                 
CONECT   29   28                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0J1US
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.388   0.309   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.388  -0.516   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.674  -0.928   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.041  -0.516   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.041   0.309   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.674   0.722   0.000  1.00  0.00           O  
HETATM    7  S   UNL     1       0.755   0.722   0.000  1.00  0.00           S  
HETATM    8 AU   UNL     1       1.470   0.309   0.000  1.00  0.00          Au  
HETATM    9  P   UNL     1       2.295   0.309   0.000  1.00  0.00           P  
HETATM   10  C   UNL     1       2.707  -0.405   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.120   0.309   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.532   1.024   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.532  -0.405   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.295   1.134   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.580   1.547   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.031  -1.547   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1      -1.746  -0.309   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.746  -1.134   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.460  -1.547   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       0.038  -0.928   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.676   0.309   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.676  -0.516   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.391  -0.928   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.103  -0.928   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1      -2.818   0.309   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.818  -0.516   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.532  -0.928   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.103   0.722   0.000  1.00  0.00           C  
CONECT    1    2    6   28                                            
CONECT    2    1    3   24                                            
CONECT    3    2    4   16                                            
CONECT    4    3    5   20                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11   14                                       
CONECT   10    9   13                                                 
CONECT   11    9   12                                                 
CONECT   12   11                                                      
CONECT   13   10                                                      
CONECT   14    9   15                                                 
CONECT   15   14                                                      
CONECT   16    3   18                                                 
CONECT   17   18                                                      
CONECT   18   16   17   19                                            
CONECT   19   18                                                      
CONECT   20    4   22                                                 
CONECT   21   22                                                      
CONECT   22   20   21   23                                            
CONECT   23   22                                                      
CONECT   24    2   26                                                 
CONECT   25   26                                                      
CONECT   26   24   25   27                                            
CONECT   27   26                                                      
CONECT   28    1                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0J2HH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.357   0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.215  -1.444   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.357  -0.206   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       1.072   0.206   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1       0.357  -1.031   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.786  -1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.501  -1.444   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.215  -1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.215  -0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.501   0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.501   1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.786   1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.215   1.444   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    9                                                 
CONECT    8    2                                                      
CONECT    9    7   10   11                                            
CONECT   10    9   12                                                 
CONECT   11    9                                                      
CONECT   12   10   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   18                                            
CONECT   18   17   19   20                                            
CONECT   19   18                                                      
CONECT   20   18                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0J2SR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.644   1.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.644   1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.930   0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.215   1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.215   1.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.930   2.269   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.501   0.619   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.786   1.031   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.786   1.856   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.501   2.269   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.501   3.094   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.072   0.619   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.786  -0.619   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.786  -1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.072  -1.856   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.357  -1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.357  -0.619   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.072  -0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.357  -0.206   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1       0.357  -1.856   0.000  1.00  0.00           F  
HETATM   22  O   UNL     1       0.357   0.619   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1       1.072  -0.619   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.072  -1.444   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.786  -1.856   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       2.501  -1.444   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.501  -0.619   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.215  -1.856   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       3.215  -2.681   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       3.930  -3.094   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.644  -2.681   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.644  -1.856   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       3.930  -1.444   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   13                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    8                                                      
CONECT   13    7   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19   20                                            
CONECT   19   18   14                                                 
CONECT   20   18   22   23                                            
CONECT   21   17                                                      
CONECT   22   20                                                      
CONECT   23   20   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   26   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0J2VS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.357   1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.357   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.357   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.072   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.072   1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.357   1.650   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       0.357   2.475   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.072   0.000   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.786   0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.501   0.000   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.786   0.000   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.786  -0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.501  -1.238   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.501  -2.062   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.215  -2.475   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.930  -2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.930  -1.238   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.215  -0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.215   0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.930   0.000   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.930  -0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.215  -1.237   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.501  -0.825   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.644  -1.238   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1       4.644  -2.475   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   11                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    2    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   19   23                                            
CONECT   11    4   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   25                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   10   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   10                                                 
CONECT   24   21                                                      
CONECT   25   16                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0J3JY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.148   0.240   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.148  -0.585   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.433  -0.997   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.719  -0.585   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.719   0.240   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.433   0.653   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.004   0.653   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.710   0.240   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.425   0.653   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.139   0.240   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.853   0.653   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.853   1.478   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.139   1.890   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.425   1.478   0.000  1.00  0.00           C  
HETATM   15 CL   UNL     1       3.568   0.240   0.000  1.00  0.00          Cl  
HETATM   16  N   UNL     1      -2.761  -1.137   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1      -2.425  -1.890   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.605  -1.804   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1       3.568   1.890   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1      -3.568  -0.965   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   16                                            
CONECT    3    2    4   18                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13   19                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   11                                                      
CONECT   16    2   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17    3                                                 
CONECT   19   12                                                      
CONECT   20   16                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0J3NY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.352   1.285   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.352   0.460   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.638   0.048   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.923   0.460   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.923   1.285   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.638   1.698   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.066   1.698   0.000  1.00  0.00           O  
HETATM    8  N   UNL     1      -1.209   0.048   0.000  1.00  0.00           N  
HETATM    9  S   UNL     1      -0.494   0.460   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1       0.220   0.048   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.220  -0.777   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.935  -1.190   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.649  -0.777   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.649   0.048   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.935   0.460   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.077   1.044   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1      -0.082   1.175   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.417  -0.983   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.829  -1.698   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.654  -1.698   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.066  -0.983   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.654  -0.269   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.829  -0.269   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    4    9                                                 
CONECT    9    8   10   16   17                                       
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    9                                                      
CONECT   17    9                                                      
CONECT   18   13   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0J3OD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  O   UNL     1      -4.928   1.902   0.000  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.928   1.080   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.216   0.669   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.504   1.080   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.504   1.902   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.216   2.313   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.792   0.669   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.080   1.080   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.368   0.669   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.656   1.080   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.056   0.669   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.056  -0.153   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.768  -0.564   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.480  -0.153   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.480   0.669   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.768   1.080   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.080   1.902   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.368  -0.153   0.000  1.00  0.00           O  
HETATM   19  N   UNL     1       2.262  -0.407   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.745   0.258   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.262   0.923   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.091   1.727   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.873   1.473   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.516  -1.189   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.320  -1.360   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.574  -2.142   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.378  -2.313   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.928  -1.702   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.674  -0.920   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.870  -0.749   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   17                                            
CONECT    9    8   10   18                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16   21                                            
CONECT   16   15   11                                                 
CONECT   17    8                                                      
CONECT   18    9                                                      
CONECT   19   14   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   15   22   23                                       
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24   19   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0J3TN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.024   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.849   0.000   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.334  -0.667   0.000  1.00  0.00           N  
HETATM    4  N   UNL     1       2.119  -0.412   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.119   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.334   0.667   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.833   0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.548   0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       4.262   0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       4.262   1.650   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.548   2.062   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.833   1.650   0.000  1.00  0.00           C  
HETATM   13  F   UNL     1       4.977   2.062   0.000  1.00  0.00           F  
HETATM   14  C   UNL     1      -0.690   0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.405   0.000   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.405  -0.825   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.690  -1.238   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.024  -0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.024   0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.739   1.238   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.739   2.062   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.024   2.475   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.690   2.062   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.690   1.238   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.119  -1.238   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.833  -0.825   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.548  -1.238   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.262  -0.825   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.977  -1.238   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.977  -2.062   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.262  -2.475   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.548  -2.062   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.121  -1.464   0.000  1.00  0.00           C  
CONECT    1    2   14   18   19                                       
CONECT    2    1    3    6                                            
CONECT    3   33    2    4                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    2                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10                                                      
CONECT   14    1   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   25                                            
CONECT   17   16   18                                                 
CONECT   18   17    1                                                 
CONECT   19    1   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   16   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33    3                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0J3ZM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.948   0.873   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.948   0.048   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.234  -0.365   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.481   0.048   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.481   0.873   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.234   1.285   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.663   1.285   0.000  1.00  0.00           O  
HETATM    8  N   UNL     1      -1.663  -0.365   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.195  -0.365   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       1.281  -1.185   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       2.088  -1.357   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.501  -0.642   0.000  1.00  0.00           C  
HETATM   13  S   UNL     1       1.949  -0.029   0.000  1.00  0.00           S  
HETATM   14  C   UNL     1       2.424  -2.110   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.321  -0.556   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       3.806  -1.223   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1       3.657   0.198   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.417  -0.029   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.969  -0.642   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1      -2.556  -1.357   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1      -1.749  -1.185   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.377   0.873   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.092   1.285   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.092   2.110   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.806   0.873   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1   22                                                 
CONECT    8    2   18   21                                            
CONECT    9    4   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13   15                                            
CONECT   13   12    9                                                 
CONECT   14   11                                                      
CONECT   15   12   16   17                                            
CONECT   16   15                                                      
CONECT   17   15                                                      
CONECT   18    8   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20    8                                                 
CONECT   22    7   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23                                                      
CONECT   25   23                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0J4AZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.408   0.020   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.408  -0.805   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.693  -1.217   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.021  -0.805   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.021   0.020   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.693   0.433   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.805  -1.060   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.290  -0.392   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.805   0.275   0.000  1.00  0.00           C  
HETATM   10 CL   UNL     1      -2.122   0.433   0.000  1.00  0.00          Cl  
HETATM   11  N   UNL     1       1.060   1.060   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.060  -1.844   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.508  -2.457   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.763  -3.241   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.570  -3.413   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.122  -2.800   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.867  -2.015   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.867   1.231   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.122   2.015   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.570   2.628   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.763   2.457   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.508   1.673   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.021   2.712   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.592   3.264   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.825   3.413   0.000  1.00  0.00           C  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   11                                            
CONECT   10    1                                                      
CONECT   11    9   18   22                                            
CONECT   12    7   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   11   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22   23   24                                       
CONECT   22   21   11                                                 
CONECT   23   21                                                      
CONECT   24   21                                                      
CONECT   25   20                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0J4CA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.193   1.281   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.478   1.693   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.236   1.281   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.951   1.693   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.665   1.281   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.380   1.693   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       3.094   1.281   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       3.180   0.460   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.987   0.289   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       4.400   1.003   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.848   1.616   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.478   2.518   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.907   1.693   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.622   1.281   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.622   0.456   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.907   0.043   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.193   0.456   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.447   1.281   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.447   0.456   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.030   1.864   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -4.030  -0.128   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.817  -0.924   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.400  -1.508   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.186  -2.305   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.389  -2.518   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.806  -1.935   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.020  -1.138   0.000  1.00  0.00           C  
CONECT    1    2   13   17                                            
CONECT    2    1    3   12                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    7                                                 
CONECT   12    2                                                      
CONECT   13    1   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16    1                                                 
CONECT   18   14   19   20                                            
CONECT   19   18   15   21                                            
CONECT   20   18                                                      
CONECT   21   19   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END

$$$$

$$$$

$$$$
D0J4CI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       4.055  -0.420   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       4.055  -1.245   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       4.769  -1.658   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       5.484  -1.245   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       5.484  -0.420   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       4.769  -0.008   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       6.268  -1.500   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       6.753  -0.833   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       6.268  -0.165   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       6.523   0.620   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1       4.769   0.817   0.000  1.00  0.00           O  
HETATM   12  H   UNL     1       4.055   1.230   0.000  1.00  0.00           H  
HETATM   13  C   UNL     1       4.769  -2.483   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.340  -0.008   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.626  -0.420   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       1.911  -0.008   0.000  1.00  0.00           O  
HETATM   17  P   UNL     1       1.197  -0.420   0.000  1.00  0.00           P  
HETATM   18  C   UNL     1       0.482  -0.008   0.000  1.00  0.00           C  
HETATM   19  P   UNL     1      -0.232  -0.420   0.000  1.00  0.00           P  
HETATM   20  O   UNL     1      -0.232   0.405   0.000  1.00  0.00           O  
HETATM   21  H   UNL     1       0.269   0.789   0.000  1.00  0.00           H  
HETATM   22  H   UNL     1       1.066   0.576   0.000  1.00  0.00           H  
HETATM   23  O   UNL     1      -0.232  -1.245   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1      -0.947  -0.008   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.772  -0.008   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.772   0.817   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.985   1.614   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.809   1.658   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.105   0.887   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.464   0.368   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.809   2.483   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1      -1.985   2.439   0.000  1.00  0.00           O  
HETATM   33  N   UNL     1      -3.105   0.062   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1      -3.902  -0.151   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.945  -0.975   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1      -3.175  -1.271   0.000  1.00  0.00           N  
HETATM   37  C   UNL     1      -2.655  -0.630   0.000  1.00  0.00           C  
HETATM   38  N   UNL     1      -4.594   0.298   0.000  1.00  0.00           N  
HETATM   39  C   UNL     1      -5.329  -0.076   0.000  1.00  0.00           C  
HETATM   40  N   UNL     1      -5.372  -0.900   0.000  1.00  0.00           N  
HETATM   41  C   UNL     1      -4.680  -1.350   0.000  1.00  0.00           C  
HETATM   42  N   UNL     1      -4.723  -2.173   0.000  1.00  0.00           N  
HETATM   43  O   UNL     1       0.784  -1.135   0.000  1.00  0.00           O  
HETATM   44  O   UNL     1       1.609  -1.135   0.000  1.00  0.00           O  
HETATM   45  O   UNL     1       3.340  -1.658   0.000  1.00  0.00           O  
HETATM   46  C   UNL     1       3.340  -2.480   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1      -6.753  -0.000   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1      -6.021   0.373   0.000  1.00  0.00           C  
CONECT    1    2    6   14                                            
CONECT    2   45    1    3                                            
CONECT    3    2    4   13                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9                                                      
CONECT   11    6   12                                                 
CONECT   12   11                                                      
CONECT   13    3                                                      
CONECT   14    1   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   43   44                                       
CONECT   18   17   19   21   22                                       
CONECT   19   18   20   23   24                                       
CONECT   20   19                                                      
CONECT   21   18                                                      
CONECT   22   18                                                      
CONECT   23   19                                                      
CONECT   24   19   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   30   27                                            
CONECT   27   28   26   32                                            
CONECT   28   27   29   31                                            
CONECT   29   30   28   33                                            
CONECT   30   29   26                                                 
CONECT   31   28                                                      
CONECT   32   27                                                      
CONECT   33   29   34   37                                            
CONECT   34   33   35   38                                            
CONECT   35   34   36   41                                            
CONECT   36   35   37                                                 
CONECT   37   36   33                                                 
CONECT   38   34   39                                                 
CONECT   39   48   38   40                                            
CONECT   40   39   41                                                 
CONECT   41   40   35   42                                            
CONECT   42   41                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   46    2                                                 
CONECT   46   45                                                      
CONECT   47   48                                                      
CONECT   48   47   39                                                 
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
M  END

$$$$
D0J4CL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.963  -0.021   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.963  -0.846   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.248  -1.258   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.467  -0.846   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.467  -0.021   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.248   0.392   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -1.607   0.494   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1      -2.412   0.310   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.770  -0.433   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.412  -1.177   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.607  -1.360   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.592  -0.372   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.057  -1.053   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.699  -1.797   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.877  -1.858   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.821   1.290   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1      -0.893   0.906   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       1.181   0.392   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.895  -0.021   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.610   0.392   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.364   0.056   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.916   0.669   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1       3.503   1.384   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       2.696   1.212   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.535  -0.751   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.922  -1.303   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.094  -2.110   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.878  -2.365   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.491  -1.813   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.320  -1.006   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.083   1.764   0.000  1.00  0.00           C  
HETATM   32 CL   UNL     1       2.137  -1.048   0.000  1.00  0.00          Cl  
HETATM   33 CL   UNL     1       4.933  -0.454   0.000  1.00  0.00          Cl  
HETATM   34  C   UNL     1       1.828   2.549   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.276   1.936   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.520  -2.549   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1      -4.933  -1.834   0.000  1.00  0.00           O  
HETATM   38  O   UNL     1      -3.697  -2.549   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   18                                            
CONECT    6    5    1                                                 
CONECT    7    1    8   16   17                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11   15                                            
CONECT   11   10    2                                                 
CONECT   12    9   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   36                                            
CONECT   15   14   10                                                 
CONECT   16    7                                                      
CONECT   17    7                                                      
CONECT   18    5   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   20   31                                            
CONECT   25   21   26   30                                            
CONECT   26   25   27   32                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25   33                                            
CONECT   31   24   34   35                                            
CONECT   32   26                                                      
CONECT   33   30                                                      
CONECT   34   31   35                                                 
CONECT   35   34   31                                                 
CONECT   36   14   37   38                                            
CONECT   37   36                                                      
CONECT   38   36                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0J4GP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   2.888   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501   2.062   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786   1.650   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072   2.062   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072   2.888   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   3.300   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.357   3.300   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.357   2.888   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.357   2.062   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.072   1.650   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.786   2.062   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.786   2.888   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.072   3.300   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.215   1.650   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.072   0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.357   0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.357  -0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.072  -0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.786  -0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.786   0.412   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       1.072  -1.650   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       1.786  -2.062   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.786  -2.888   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.501  -3.300   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       3.215  -2.888   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       3.215  -2.062   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.501  -1.650   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.215   0.825   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.501   0.412   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.786   0.825   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -2.501  -0.412   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.500  -0.825   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       1.675  -0.825   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   14                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    2   28                                                 
CONECT   15   10   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20   32                                            
CONECT   20   19   15                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   14   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   19   33                                                 
CONECT   33   32                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0J4GY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.482  -0.443   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.482  -1.268   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.837  -1.782   0.000  1.00  0.00           N  
HETATM    4  N   UNL     1      -0.033  -1.599   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.325  -0.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.033  -0.112   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.837   0.071   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.196  -0.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.911  -0.443   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.911  -1.268   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.196  -1.681   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.767   0.794   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1      -1.482   1.207   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.196   0.794   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.911   1.207   0.000  1.00  0.00           O  
HETATM   16  F   UNL     1      -3.625  -1.681   0.000  1.00  0.00           F  
HETATM   17  C   UNL     1       1.150  -0.856   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.482   0.533   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.306   0.496   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.596   1.268   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.951   1.782   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1       0.262   1.328   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.510   1.618   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.563  -1.570   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.388  -1.570   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.800  -0.856   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.388  -0.141   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.563  -0.141   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1       3.625  -0.856   0.000  1.00  0.00           F  
CONECT    1    2    7    8                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   17                                            
CONECT    6    5    7   18                                            
CONECT    7    6    1   12                                            
CONECT    8    1    9   14                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   16                                            
CONECT   11   10    2                                                 
CONECT   12    7   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    8   15                                            
CONECT   15   14                                                      
CONECT   16   10                                                      
CONECT   17    5   24   28                                            
CONECT   18    6   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   18   23                                            
CONECT   23   22                                                      
CONECT   24   17   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   17                                                 
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0J4IP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNK A   0      -5.716  -1.006   0.000  1.00  0.00           C  
HETATM    2  C   UNK A   0      -5.716  -1.831   0.000  1.00  0.00           C  
HETATM    3  C   UNK A   0      -5.001  -2.244   0.000  1.00  0.00           C  
HETATM    4  C   UNK A   0      -4.287  -1.831   0.000  1.00  0.00           C  
HETATM    5  C   UNK A   0      -4.287  -1.006   0.000  1.00  0.00           C  
HETATM    6  C   UNK A   0      -5.001  -0.594   0.000  1.00  0.00           C  
HETATM    7  C   UNK A   0      -3.572  -0.594   0.000  1.00  0.00           C  
HETATM    8  O   UNK A   0      -2.858  -1.006   0.000  1.00  0.00           O  
HETATM    9  C   UNK A   0      -2.143  -0.594   0.000  1.00  0.00           C  
ATOM     10  N   PHE A   1      -1.429  -1.006   0.000  1.00  0.00           N  
ATOM     11  CA  PHE A   1      -0.715  -0.594   0.000  1.00  0.00           C  
ATOM     12  C   PHE A   1       0.000  -1.006   0.000  1.00  0.00           C  
HETATM   13  N   UNK A   2       0.715  -0.594   0.000  1.00  0.00           N  
HETATM   14  C   UNK A   2       1.429  -1.006   0.000  1.00  0.00           C  
HETATM   15  O   UNK A   0      -2.143   0.231   0.000  1.00  0.00           O  
ATOM     16  O   PHE A   1       0.000  -1.831   0.000  1.00  0.00           O  
HETATM   17  C   UNK A   2       2.143  -0.594   0.000  1.00  0.00           C  
HETATM   18  C   UNK A   2       2.858  -1.006   0.000  1.00  0.00           C  
HETATM   19  C   UNK A   2       3.572  -0.594   0.000  1.00  0.00           C  
HETATM   20  C   UNK A   2       4.287  -1.006   0.000  1.00  0.00           C  
HETATM   21  S   UNK A   2       5.001  -0.594   0.000  1.00  0.00           S1+
HETATM   22  O   UNK A   2       3.572   0.231   0.000  1.00  0.00           O  
HETATM   23  C   UNK A   2       5.716  -1.006   0.000  1.00  0.00           C  
HETATM   24  C   UNK A   2       5.001   0.231   0.000  1.00  0.00           C  
ATOM     25  CB  PHE A   1      -0.715   0.231   0.000  1.00  0.00           C  
ATOM     26  CG  PHE A   1      -0.131   0.815   0.000  1.00  0.00           C  
ATOM     27  CD1 PHE A   1       0.694   0.815   0.000  1.00  0.00           C  
ATOM     28  CE1 PHE A   1       1.106   1.529   0.000  1.00  0.00           C  
ATOM     29  CZ  PHE A   1       0.694   2.244   0.000  1.00  0.00           C  
ATOM     30  CE2 PHE A   1      -0.131   2.244   0.000  1.00  0.00           C  
ATOM     31  CD2 PHE A   1      -0.544   1.529   0.000  1.00  0.00           C  
HETATM   32  C   UNK A   2       1.427  -1.828   0.000  1.00  0.00           C  
HETATM   33  O   UNK A   2       2.141  -2.241   0.000  1.00  0.00           O  
HETATM   34  O   UNK A   2       0.712  -2.241   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   15                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   25                                            
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   17   32                                            
CONECT   15    9                                                      
CONECT   16   12                                                      
CONECT   17   14   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   23   24                                            
CONECT   22   19                                                      
CONECT   23   21                                                      
CONECT   24   21                                                      
CONECT   25   11   26                                                 
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   14   33   34                                            
CONECT   33   32                                                      
CONECT   34   32                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0J4LV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.348  -0.604   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.348  -1.429   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.062  -1.841   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.777  -1.429   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.777  -0.604   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.062  -0.191   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.437  -0.349   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.922  -1.016   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.437  -1.684   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.747  -1.016   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.491  -0.191   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       3.205  -0.604   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       3.920  -0.191   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.920   0.634   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       4.634   1.046   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.159  -0.302   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.984  -0.302   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.397  -1.016   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.984  -1.731   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.159  -1.731   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.397   0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.984   1.127   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.397   1.841   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.222   1.841   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.634   1.127   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.222   0.412   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   16   20                                            
CONECT   11    5   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14                                                      
CONECT   16   10   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   10                                                 
CONECT   21   17   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0J4PC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.243   1.814   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.243   0.989   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.958   0.577   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.529   0.577   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.814   0.989   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.100   0.577   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.386   0.989   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.329   0.577   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.043   0.989   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.758   0.577   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.814   1.814   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       0.329  -0.248   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -2.529  -0.248   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.386   1.814   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.544  -0.220   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.034  -0.884   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.859  -0.884   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.397  -0.259   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       3.243   0.577   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.514   0.962   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.747  -0.434   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.534  -1.231   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.117  -1.814   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.914  -1.601   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.958   0.989   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.514   1.787   0.000  1.00  0.00           O  
CONECT    1    2                                                      
CONECT    2    1    3    4                                            
CONECT    3    2                                                      
CONECT    4    2    5   13                                            
CONECT    5    4    6   11                                            
CONECT    6    5    7                                                 
CONECT    7    6    8   14                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   15   20                                            
CONECT   11    5                                                      
CONECT   12    8                                                      
CONECT   13    4                                                      
CONECT   14    7                                                      
CONECT   15   10   16   21                                            
CONECT   16   15   17   24                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   25                                            
CONECT   20   19   10   26                                            
CONECT   21   15   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   16                                                 
CONECT   25   19                                                      
CONECT   26   20                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0J4QE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.061   0.539   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.478  -0.044   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.342   0.048   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.781   0.747   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.509   1.526   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.270   1.798   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.728  -0.681   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.552  -0.681   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.991   0.048   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.606   0.747   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.316  -1.395   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.728  -2.109   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.552  -2.109   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.964  -1.395   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       1.092   2.109   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1      -1.061   1.364   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       2.789  -1.395   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.823   0.224   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1      -2.527   0.655   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.154   0.119   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.838  -0.643   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.016  -0.579   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.956   0.312   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.373  -1.978   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.956  -1.395   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.373  -0.812   0.000  1.00  0.00           C  
CONECT    1    2   16   18                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6   15                                            
CONECT    6    5   16                                                 
CONECT    7    3    8   11                                            
CONECT    8    7    9   14                                            
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    7   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    8   17                                            
CONECT   15    5                                                      
CONECT   16    1    6                                                 
CONECT   17   14   24   26                                            
CONECT   18    1   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   18                                                 
CONECT   23   20                                                      
CONECT   24   17   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   17                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0J4QG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.782   1.117   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.782   0.292   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.067  -0.121   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.647   0.292   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.647   1.117   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.067   1.529   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.567   1.371   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.051   0.704   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -1.567   0.037   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.780  -0.760   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.577  -0.974   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.791  -1.771   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.207  -2.354   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.410  -2.140   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.197  -1.344   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.361  -0.121   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.361  -0.946   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.076  -1.358   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.791  -0.946   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.791  -0.121   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.076   0.292   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.067   2.354   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   22                                            
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    2   10                                            
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    4   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22    6                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0J4YH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.614   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.328  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.328  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.614  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.899  -1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.899  -0.206   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.043   0.206   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1      -5.043  -1.444   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.185   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.470  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.756   0.206   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.041  -0.206   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.673   0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.388  -0.206   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.756   1.031   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       2.102   0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.817  -0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.531   0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.531   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.817   1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.102   1.031   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       4.246   1.444   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       4.246  -0.206   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       5.043   0.007   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.043   1.230   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    9                                            
CONECT    7    2                                                      
CONECT    8    3                                                      
CONECT    9    6   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   16                                                 
CONECT   15   11                                                      
CONECT   16   14   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   19   25                                                 
CONECT   23   18   24                                                 
CONECT   24   23                                                      
CONECT   25   22                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0J4YW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.265   0.084   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.440   0.080   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.027   0.794   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.798   0.794   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.053   1.579   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.385   2.064   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.282   1.579   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.210   0.080   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.035   0.080   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.448  -0.635   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.448   0.794   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.749   0.752   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.534   0.498   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.534  -0.327   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1      -1.749  -0.583   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1      -3.248   0.910   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.963   0.498   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.963  -0.327   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.248  -0.740   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.035  -1.349   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.448  -2.064   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.273  -2.064   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.685  -1.349   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.273  -0.635   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       3.685   0.080   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1       4.506   0.166   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       4.677   0.973   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.963   1.385   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       3.350   0.833   0.000  1.00  0.00           N  
HETATM   30 CL   UNL     1      -4.677   0.910   0.000  1.00  0.00          Cl  
CONECT    1    2   12   15                                            
CONECT    2    1    3                                                 
CONECT    3    4    7    2                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    3                                                 
CONECT    8    9    4                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   20   24                                            
CONECT   11    9                                                      
CONECT   12    1   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   19                                            
CONECT   15   14    1                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18   30                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   10   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   10   25                                            
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   25                                                 
CONECT   30   17                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0J5AB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.082   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.082  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.907  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.907   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.499   0.996   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.490   0.996   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.490  -0.996   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.499  -0.996   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.712   1.793   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.129   2.376   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.668   2.163   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.882   1.366   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.298   0.782   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       3.284   0.783   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1       2.278   1.790   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1      -0.298  -1.209   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       2.277  -1.793   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.860  -2.376   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.657  -2.163   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.871  -1.366   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.287  -0.782   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       0.911  -1.710   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.013  -1.622   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.727  -1.209   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.442  -1.622   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.156  -1.209   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.871  -1.622   0.000  1.00  0.00           C  
CONECT    1    2    4    5                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4    7                                            
CONECT    4    3    1    6                                            
CONECT    5    1    9   13                                            
CONECT    6    4   14   15                                            
CONECT    7    3   17   21                                            
CONECT    8    2   16   22                                            
CONECT    9    5   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    5                                                 
CONECT   14    6                                                      
CONECT   15    6                                                      
CONECT   16    8   23                                                 
CONECT   17    7   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20    7                                                 
CONECT   22    8                                                      
CONECT   23   16   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0J5EW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.806   1.816   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.806   0.991   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.092   0.579   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.377   0.991   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.377   1.816   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.092   2.228   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -3.092   3.054   0.000  1.00  0.00           F  
HETATM    8  F   UNL     1      -3.092  -0.246   0.000  1.00  0.00           F  
HETATM    9  C   UNL     1      -1.663   0.579   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.663  -0.246   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.948  -0.659   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.234  -0.246   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.234   0.579   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.948   0.991   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.948   1.816   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1       0.481  -0.659   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.567  -1.480   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.374  -1.651   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.786  -0.936   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.234  -0.323   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.926  -2.264   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.679  -1.929   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.593  -1.108   0.000  1.00  0.00           C  
HETATM   24  S   UNL     1       3.394  -2.339   0.000  1.00  0.00           S  
HETATM   25  O   UNL     1       2.981  -3.054   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1       2.679  -1.927   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       3.806  -1.625   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    3                                                      
CONECT    9    4   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13    9   15                                            
CONECT   15   14                                                      
CONECT   16   12   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20   23                                            
CONECT   20   19   16                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   19                                                 
CONECT   24   22   25   26   27                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0J5GC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.419   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.419  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.296  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.010  -0.412   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.010   0.412   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.296   0.825   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.133  -0.825   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.848  -0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.562  -0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.277  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.991  -0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.706  -0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.725   0.825   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       2.439   0.412   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       3.154   0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.868   0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.868  -0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       4.582  -0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       5.297  -0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       5.297   0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.582   0.825   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       1.725   1.650   0.000  1.00  0.00           O  
HETATM   23 CL   UNL     1       6.011   0.825   0.000  1.00  0.00          Cl  
HETATM   24 CL   UNL     1       4.582  -1.650   0.000  1.00  0.00          Cl  
HETATM   25  O   UNL     1      -1.848   0.412   0.000  1.00  0.00           O  
HETATM   26  S   UNL     1      -4.792   0.408   0.000  1.00  0.00           S  
HETATM   27  C   UNL     1      -5.599   0.580   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -6.011  -0.135   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.459  -0.748   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -5.812   1.376   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   13                                            
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7    9   25                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   26   29                                            
CONECT   13    5   14   22                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   24                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   16                                                 
CONECT   22   13                                                      
CONECT   23   20                                                      
CONECT   24   18                                                      
CONECT   25    8                                                      
CONECT   26   12   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   12                                                 
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0J5GS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.331   1.507   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.331   0.682   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.454   0.427   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.939   1.095   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.454   1.762   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.046   1.920   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.760   1.507   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.760   0.682   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.046   0.270   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.709   2.547   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.922   3.344   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.667  -0.370   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.084  -0.953   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.297  -1.750   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.094  -1.963   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.677  -1.380   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.464  -0.583   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.308  -2.760   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       2.105  -2.974   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1       0.724  -3.344   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1       2.474  -1.594   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.474   1.920   0.000  1.00  0.00           C  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   12                                            
CONECT    4    3    5                                                 
CONECT    5    4    1   10                                            
CONECT    6    1    7                                                 
CONECT    7    6    8   22                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    5   11                                                 
CONECT   11   10                                                      
CONECT   12    3   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17   21                                            
CONECT   17   16   12                                                 
CONECT   18   15   19   20                                            
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   16                                                      
CONECT   22    7                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0J5IB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.215  -0.544   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.215  -1.369   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.501  -1.782   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.786  -1.369   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.786  -0.544   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.501  -0.132   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.501   0.693   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.072  -0.132   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.357  -0.544   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.643  -0.132   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.643   0.693   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.357   1.106   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.072   0.693   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.072   1.106   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.786   0.693   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1       0.072   1.931   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       0.873  -0.127   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.679  -0.299   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.092   0.416   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.540   1.029   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.912   0.502   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1       3.397  -0.165   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       4.215  -0.079   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.659  -0.924   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       1.240  -1.505   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.135  -1.137   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.348  -1.931   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    5    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15   16                                            
CONECT   15   14   17   20                                            
CONECT   16   14                                                      
CONECT   17   24   15   18                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   15                                                 
CONECT   21   22   19                                                 
CONECT   22   23   21                                                 
CONECT   23   22                                                      
CONECT   24   25   26   17                                            
CONECT   25   24                                                      
CONECT   26   27   24                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0J5NB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.522   0.812   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.608  -0.008   0.000  1.00  0.00           N  
HETATM    3  N   UNL     1       1.415  -0.180   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.828   0.534   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.276   1.148   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.005  -0.560   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.789  -0.305   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.403  -0.858   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.231  -1.665   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.447  -1.919   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.167  -1.367   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1       0.951  -1.622   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1       1.562   1.955   0.000  1.00  0.00           C  
HETATM   14 CL   UNL     1      -1.844  -2.217   0.000  1.00  0.00          Cl  
HETATM   15  C   UNL     1      -0.193   1.225   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.279   2.045   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.086   2.217   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.498   1.502   0.000  1.00  0.00           C  
HETATM   19  S   UNL     1      -0.946   0.889   0.000  1.00  0.00           S  
HETATM   20  C   UNL     1       2.648   0.621   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       3.200   0.008   0.000  1.00  0.00           O  
HETATM   22  N   UNL     1       3.954   0.343   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.868   1.164   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       3.061   1.335   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       4.481   1.716   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       5.265   1.461   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.319   1.416   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.139   1.330   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.960   1.243   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.512   1.857   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.265   1.521   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.179   0.700   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.372   0.529   0.000  1.00  0.00           C  
CONECT    1    2    5   15                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   20                                            
CONECT    5    4    1   13                                            
CONECT    6    2    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10    6   12                                            
CONECT   12   11                                                      
CONECT   13    5                                                      
CONECT   14    9                                                      
CONECT   15    1   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   27                                            
CONECT   19   18   15                                                 
CONECT   20    4   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   20                                                 
CONECT   25   23   26                                                 
CONECT   26   25                                                      
CONECT   27   18   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   33                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   29                                                 
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0J5OO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.715  -1.101   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.000  -0.689   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.715  -1.101   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.429  -0.689   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429  -0.689   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       0.000   0.136   0.000  1.00  0.00           O  
HETATM    7  N   UNL     1       2.183  -1.024   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1       2.735  -0.411   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.322   0.303   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.515   0.132   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.408   1.124   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.655   1.459   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.103   0.846   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.354  -1.831   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.515   0.132   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.322   0.303   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.735  -0.411   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.183  -1.024   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.658   1.057   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.354  -1.831   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.139  -2.086   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.310  -2.893   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.697  -3.445   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.913  -3.190   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.741  -2.383   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.741  -2.383   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.913  -3.190   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.697  -3.445   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.310  -2.893   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.139  -2.086   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.173   1.724   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.686   2.318   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -2.400   2.731   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1      -2.813   2.016   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -3.115   3.143   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1      -1.988   3.445   0.000  1.00  0.00           F  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    7   10                                            
CONECT    5    1   15   18                                            
CONECT    6    2                                                      
CONECT    7    4    8   14                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    4   13                                            
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   10                                                 
CONECT   14    7   26   30                                            
CONECT   15    5   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17    5   20                                            
CONECT   19   16   31                                                 
CONECT   20   18   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   14   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   14                                                 
CONECT   31   19   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   35   36                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0J5QP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.271   1.876   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.554   1.876   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.039   1.208   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.824   1.463   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.824   2.288   0.000  1.00  0.00           N  
HETATM    6  N   UNL     1       1.039   2.543   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       2.491   0.978   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.784   0.424   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.023   0.252   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.278  -0.532   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.274  -1.146   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.081  -0.974   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.336  -0.189   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       0.019  -1.930   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       0.572  -2.543   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       3.245   1.314   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       3.912   0.829   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.854   2.459   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.437   1.876   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.854   1.292   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.262   1.876   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.675   1.161   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.500   1.161   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.912   0.447   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.500  -0.268   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.675  -0.268   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.262   0.447   0.000  1.00  0.00           C  
HETATM   28 CL   UNL     1      -1.437   0.447   0.000  1.00  0.00          Cl  
HETATM   29  F   UNL     1      -3.912  -0.982   0.000  1.00  0.00           F  
CONECT    1    2   18   20                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    2                                                 
CONECT    7    4   16                                                 
CONECT    8    3    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15                                                 
CONECT   15   14                                                      
CONECT   16    7   17                                                 
CONECT   17   16                                                      
CONECT   18    1   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19    1                                                 
CONECT   21   19   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   22   28                                            
CONECT   28   27                                                      
CONECT   29   25                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0J5XM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.715   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.715  -0.412   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.000  -0.825   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.715  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.715   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.000   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.429  -0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.429   1.650   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.143   2.062   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.858   1.650   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.858   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.143  -0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.858  -0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.858  -1.650   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.143  -2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.429  -1.650   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -3.572   2.062   0.000  1.00  0.00          Cl  
HETATM   20 CL   UNL     1      -0.715  -2.062   0.000  1.00  0.00          Cl  
HETATM   21 CL   UNL     1      -3.572  -2.062   0.000  1.00  0.00          Cl  
HETATM   22  N   UNL     1       1.429  -0.825   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.143  -0.412   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.143   0.412   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       1.429   0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.858  -0.825   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.858  -1.650   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.572  -0.412   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.572  -1.238   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       1.429   1.650   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   22                                            
CONECT    5    4    6   25                                            
CONECT    6    5    1                                                 
CONECT    7    9   13    1                                            
CONECT    8    2   14   18                                            
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   19                                            
CONECT   12   11   13                                                 
CONECT   13   12    7                                                 
CONECT   14    8   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17    8   20                                            
CONECT   19   11                                                      
CONECT   20   18                                                      
CONECT   21   16                                                      
CONECT   22    4   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24    5   30                                            
CONECT   26   23   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30   25                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0J5YV
  -OEChem-09301911182D

 49 51  0     0  0  0  0  0  0999 V2000
    2.0000   -0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6065   -0.3047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1901    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6065    1.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 26  2  0  0  0  0
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 26 28  1  0  0  0  0
 26 48  1  0  0  0  0
 27 29  2  0  0  0  0
 27 49  1  0  0  0  0
M  END

$$$$
D0J6BK
  -OEChem-09301911182D

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 21 37  1  0  0  0  0
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M  END

$$$$
D0J6DS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNK     1      -2.020  -0.084   0.000  1.00  0.00           C  
HETATM    2  C   UNK     1      -2.020  -0.908   0.000  1.00  0.00           C  
HETATM    3  C   UNK     1      -1.306  -1.321   0.000  1.00  0.00           C  
HETATM    4  C   UNK     1      -0.591  -0.908   0.000  1.00  0.00           C  
HETATM    5  C   UNK     1      -0.591  -0.084   0.000  1.00  0.00           C  
HETATM    6  C   UNK     1      -1.306   0.329   0.000  1.00  0.00           C  
HETATM    7  C   UNK     1       0.123   0.329   0.000  1.00  0.00           C  
HETATM    8  O   UNK     1      -2.735  -1.321   0.000  1.00  0.00           O  
HETATM    9  N   UNK     1       0.877  -0.007   0.000  1.00  0.00           N  
HETATM   10  C   UNK     1       1.429   0.607   0.000  1.00  0.00           C  
HETATM   11  C   UNK     1       1.017   1.321   0.000  1.00  0.00           C  
HETATM   12  S   UNK     1       0.210   1.149   0.000  1.00  0.00           S  
HETATM   13  C   UNK     1       2.250   0.520   0.000  1.00  0.00           C  
HETATM   14  O   UNK     1       2.735   1.188   0.000  1.00  0.00           O  
HETATM   15  O   UNK     1       2.585  -0.233   0.000  1.00  0.00           O  
HETATM   16  H   UNK     1      -0.591   0.742   0.000  1.00  0.00           H  
HETATM   17  O   UNK     1       0.123  -1.321   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   17                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    9   12   16                                       
CONECT    8    2                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16    7                                                      
CONECT   17    4                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D0J6HN
  -OEChem-09301911132D

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 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 13 15  1  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 50  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 26  2  0  0  0  0
 24 51  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 26 28  1  0  0  0  0
 26 52  1  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 33  2  0  0  0  0
 31 53  1  0  0  0  0
 32 33  1  0  0  0  0
 32 54  1  0  0  0  0
 33 55  1  0  0  0  0
M  END

$$$$
D0J6KS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572  -0.378   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572  -1.203   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.858  -1.615   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.143  -1.203   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143  -0.378   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.858   0.035   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.429  -1.615   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.714  -1.203   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.714  -0.378   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.429   0.035   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.287  -1.615   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.029   0.842   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.850   0.928   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -4.185   0.174   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.477   1.455   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.670   1.283   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.118   1.896   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.373   2.681   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.180   2.853   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.732   2.240   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1      -3.539   2.411   0.000  1.00  0.00          Cl  
HETATM   22  O   UNL     1       0.000  -1.615   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       0.714  -1.203   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.429  -1.615   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.429  -2.440   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.143  -2.853   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.858  -2.440   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.858  -1.615   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       2.143  -1.203   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       3.572  -2.853   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.287  -2.440   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.287  -1.615   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.572  -1.203   0.000  1.00  0.00           C  
CONECT    1    2    6   14                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   12                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   22                                            
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    2                                                      
CONECT   12    6   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    1                                                 
CONECT   15   12   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
CONECT   22    8   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29   33                                            
CONECT   29   28   24                                                 
CONECT   30   27   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0J6LT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.801  -0.683   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.801  -1.505   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.089  -1.917   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.377  -1.505   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.377  -0.683   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.089  -0.272   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       0.335  -1.917   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       1.047  -1.505   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.047  -0.683   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.335  -0.272   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.583  -0.429   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.066  -1.094   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.583  -1.760   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1       1.759  -1.917   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.837   0.353   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.335   0.550   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.759  -0.272   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.471  -0.683   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.183  -0.272   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       3.895  -0.683   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.287   0.964   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.541   1.746   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.345   1.917   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.895   1.306   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.641   0.524   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       3.183   0.550   0.000  1.00  0.00           O  
CONECT    1    2    6   11                                            
CONECT    2    1    3   13                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   14                                            
CONECT    9    8   10   17                                            
CONECT   10    9    5   16                                            
CONECT   11    1   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12    2                                                 
CONECT   14    8                                                      
CONECT   15   11   21   25                                            
CONECT   16   10                                                      
CONECT   17    9   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   26                                            
CONECT   20   19                                                      
CONECT   21   15   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   15                                                 
CONECT   26   19                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0J6MM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215   2.007   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930   2.420   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.644   2.007   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.644   1.182   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.930   0.770   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215   1.182   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -5.359   2.420   0.000  1.00  0.00           F  
HETATM    8  C   UNL     1      -2.501   0.770   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.786   1.182   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.072   0.770   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.072  -0.055   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.357  -0.468   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.357  -0.055   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.357   0.770   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.357   1.182   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.357  -1.293   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.072  -0.468   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.072  -1.293   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.786  -1.705   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.501  -1.293   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.501  -0.468   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.786  -0.055   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.215  -0.055   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       3.215  -1.705   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       3.930  -1.293   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.644  -1.705   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       5.359  -1.293   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       4.232  -2.420   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.057  -2.420   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    3                                                      
CONECT    8    6    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   12                                                      
CONECT   17   13   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22   23                                            
CONECT   22   21   17                                                 
CONECT   23   21                                                      
CONECT   24   20   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0J6OC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.796  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.796  -1.031   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.082  -1.444   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.367  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.367  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.082   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.653  -1.444   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.062  -1.031   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.776  -1.444   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.491  -1.031   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.082   1.031   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.796   1.444   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -1.367   1.444   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       2.244  -1.367   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.796  -0.754   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.384  -0.039   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.577  -0.211   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   14   17                                            
CONECT   11    6   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14   10   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   10                                                 
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D0J6TA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215   0.826   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215   0.001   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.501  -0.411   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.786   0.001   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.786   0.826   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.501   1.239   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.501  -1.236   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.072  -0.411   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.357   0.001   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.357  -0.411   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.072   0.001   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.072   0.826   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.357   1.239   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.357   0.826   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.786   1.239   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       2.501   0.826   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1       1.786   2.064   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       3.215   1.239   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.215  -1.649   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.215  -2.474   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.501  -2.886   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.786  -2.474   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.786  -1.649   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.930   1.239   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1      -3.519   1.951   0.000  1.00  0.00           F  
HETATM   26  F   UNL     1      -4.642   1.650   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1      -4.341   0.527   0.000  1.00  0.00           F  
HETATM   28  C   UNL     1       3.930   0.826   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1       3.519   0.114   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1       4.642   0.415   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1       4.341   1.538   0.000  1.00  0.00           F  
HETATM   32  C   UNL     1       3.215   2.064   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1       4.037   2.064   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       3.215   2.886   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1       2.393   2.064   0.000  1.00  0.00           F  
CONECT    1   24    2    6                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3   19   23                                            
CONECT    8    4    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   28   32   16                                            
CONECT   19    7   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22    7                                                 
CONECT   24   25   26   27    1                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
CONECT   28   29   30   31   18                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
CONECT   32   33   34   35   18                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0J6UW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.950   1.487   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.950   0.662   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.166   0.407   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.319   1.074   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.166   1.742   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.618   0.177   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.089  -0.378   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.371   0.512   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.039   0.027   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.953  -0.793   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.199  -1.129   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.532  -0.644   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.618   1.972   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1       1.144   1.074   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       0.886  -0.591   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.100  -1.388   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.897  -1.602   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.480  -1.018   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.266  -0.222   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.470  -0.008   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1       0.516  -1.972   0.000  1.00  0.00          Cl  
HETATM   22  O   UNL     1       3.277  -1.232   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1      -2.562   1.004   0.000  1.00  0.00           N1+
HETATM   24  O   UNL     1      -1.848   0.592   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.277   0.592   0.000  1.00  0.00           O1-
CONECT    1    2    5   13                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5   14                                            
CONECT    5    4    1                                                 
CONECT    6    2    8   12                                            
CONECT    7    3   15                                                 
CONECT    8    6    9   23                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    6                                                 
CONECT   13    1                                                      
CONECT   14    4                                                      
CONECT   15    7   16   20                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   16                                                      
CONECT   22   18                                                      
CONECT   23    8   24   25                                            
CONECT   24   23                                                      
CONECT   25   23                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END

$$$$

$$$$
D0J7DA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143  -0.605   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -1.430   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -1.842   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715  -1.430   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715  -0.605   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429  -0.192   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.000  -0.192   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.715  -0.605   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.715  -1.430   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.429  -1.842   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.143  -1.430   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.143  -0.605   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.429  -0.192   0.000  1.00  0.00           C  
HETATM   14  F   UNL     1       1.429   0.633   0.000  1.00  0.00           F  
HETATM   15  I   UNL     1       2.858  -1.842   0.000  1.00  0.00           I  
HETATM   16 XX   UNL     1       0.000  -1.842   0.000  1.00  0.00          Xx  
HETATM   17  F   UNL     1      -1.429  -2.667   0.000  1.00  0.00           F  
HETATM   18  O   UNL     1      -2.858  -0.192   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.858   0.633   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.143   1.045   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.143   1.870   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.429   2.283   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.715   1.870   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.429   0.633   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       0.082   2.084   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.501   2.667   0.000  1.00  0.00           C  
HETATM   27  S   UNL     1      -0.716   1.045   0.000  1.00  0.00           S  
HETATM   28  O   UNL     1       0.097   1.189   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.433   0.270   0.000  1.00  0.00           O  
CONECT    1    2    6   18                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   17                                            
CONECT    4    3    5   16                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1   24                                            
CONECT    7    5    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12    8   14                                            
CONECT   14   13                                                      
CONECT   15   11                                                      
CONECT   16    4                                                      
CONECT   17    3                                                      
CONECT   18    1   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   25   26   27                                       
CONECT   24    6   27                                                 
CONECT   25   23   26                                                 
CONECT   26   25   23                                                 
CONECT   27   23   24   28   29                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0J7HR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072   0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.357   0.412   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.072   0.000   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.786   0.412   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       0.357   1.238   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8                                                      
CONECT   10    7                                                      
MASTER        0    0    0    0    0    0    0    0   10    0   10    0
END
M  END

$$$$
D0J7SD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.633   0.535   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.633  -0.290   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.918  -0.702   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.204  -0.290   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.204   0.535   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.918   0.948   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.510  -0.702   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.225  -0.290   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.940  -0.702   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.940  -1.527   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.654  -1.940   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.368  -1.527   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.368  -0.702   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.654  -0.290   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       4.083  -1.940   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       4.797  -1.527   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       5.512  -1.940   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       4.797  -0.702   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.347   0.948   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.434   1.768   0.000  1.00  0.00           N  
HETATM   21  O   UNL     1      -3.240   1.940   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.653   1.225   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.101   0.612   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.460   1.054   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.715   0.269   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.163  -0.344   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.356  -0.172   0.000  1.00  0.00           C  
HETATM   28 CL   UNL     1      -5.512   0.056   0.000  1.00  0.00          Cl  
CONECT    1    2    6   19                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19    1   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   19   27                                            
CONECT   24   22   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   23                                                 
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0J8DR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.357   1.238   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.357   0.412   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.357   0.000   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.072   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.072   1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.357   1.650   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.786   1.650   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.501   1.238   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1       1.786   2.475   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1       1.786   0.000   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.786  -0.825   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.072   0.000   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.072  -0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.786  -1.238   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.786  -2.062   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.501  -2.475   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.072  -2.475   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.072  -1.238   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.072  -2.062   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.786  -2.475   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.501  -2.062   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.501  -1.238   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   12                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    4   11                                                 
CONECT   11   10   18   22                                            
CONECT   12    2   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15                                                      
CONECT   17   15                                                      
CONECT   18   11   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   11                                                 
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0J8GO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.868   2.147   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.284   1.434   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.874   0.718   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.049   0.715   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.634   1.427   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.043   2.143   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.640  -0.002   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.815  -0.005   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.055  -0.715   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.880  -0.711   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.296  -1.424   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.886  -2.140   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.061  -2.143   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.646  -1.431   0.000  1.00  0.00           C  
HETATM   15 CL   UNL     1      -4.278   2.863   0.000  1.00  0.00          Cl  
HETATM   16 CL   UNL     1      -4.302  -2.853   0.000  1.00  0.00          Cl  
HETATM   17  C   UNL     1      -1.234  -0.591   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.648  -0.005   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.234   0.581   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.177  -0.005   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.589   0.709   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1       0.589  -0.720   0.000  1.00  0.00           S  
HETATM   23  C   UNL     1       1.414   0.709   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.827   1.424   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.414   2.138   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.589   2.138   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.177   1.424   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1       0.177   2.853   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1       2.652   1.424   0.000  1.00  0.00           F  
HETATM   30  C   UNL     1       1.414  -0.720   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.827  -1.434   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       2.652  -1.434   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       3.064  -2.149   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.889  -2.149   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1      -0.125  -1.132   0.000  1.00  0.00           O  
HETATM   36  O   UNL     1       0.589  -1.545   0.000  1.00  0.00           O  
HETATM   37  O   UNL     1       2.652  -2.863   0.000  1.00  0.00           O  
HETATM   38  O   UNL     1       4.302  -2.863   0.000  1.00  0.00           O  
CONECT    1    2    6   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   17   19                                            
CONECT    9    7   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    1                                                      
CONECT   16   12                                                      
CONECT   17    8   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18    8                                                 
CONECT   20   18   21   22                                            
CONECT   21   20   23   27                                            
CONECT   22   20   30   35   36                                       
CONECT   23   21   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   21                                                 
CONECT   28   26                                                      
CONECT   29   24                                                      
CONECT   30   22   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   37                                            
CONECT   34   33   38                                                 
CONECT   35   22                                                      
CONECT   36   22                                                      
CONECT   37   33                                                      
CONECT   38   34                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0J8PJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.420   0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.420   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.705  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.991   0.000   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.991   0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.705   1.238   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.705   2.062   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.991   2.475   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.276   2.062   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.562   2.475   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.562   3.300   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.276   3.712   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.991   3.300   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -0.847   2.062   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.761   1.242   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.046   1.071   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.458   1.785   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.094   2.398   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.313   0.629   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.058  -0.156   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.251  -0.327   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.301   0.286   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.108   0.114   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.705  -1.238   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.660   0.728   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.420  -1.650   0.000  1.00  0.00           O  
HETATM   27  N   UNL     1      -2.991  -1.650   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       2.467   0.556   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.802  -0.198   0.000  1.00  0.00           C  
HETATM   30  S   UNL     1       3.623  -0.111   0.000  1.00  0.00           S  
HETATM   31  C   UNL     1       3.794   0.696   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.080   1.108   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       4.420  -0.325   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1       3.836  -0.908   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1      -2.991  -2.475   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.276  -2.887   0.000  1.00  0.00           C  
HETATM   37  N   UNL     1      -1.562  -2.475   0.000  1.00  0.00           N  
HETATM   38  C   UNL     1      -1.562  -1.650   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.276  -1.238   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.276  -3.712   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   24                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15   18                                            
CONECT   15   14   16   19                                            
CONECT   16   15   17   22                                            
CONECT   17   16   18                                                 
CONECT   18   17   14                                                 
CONECT   19   15   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   16   23                                            
CONECT   23   22   25                                                 
CONECT   24    3   26   27                                            
CONECT   25   23   28                                                 
CONECT   26   24                                                      
CONECT   27   24   35   39                                            
CONECT   28   25   29   32                                            
CONECT   29   28   30                                                 
CONECT   30   29   31   33   34                                       
CONECT   31   30   32                                                 
CONECT   32   31   28                                                 
CONECT   33   30                                                      
CONECT   34   30                                                      
CONECT   35   27   36                                                 
CONECT   36   35   37   40                                            
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   27                                                 
CONECT   40   36                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0J8UO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.866   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.866   0.206   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.151  -0.206   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.151  -1.031   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.866  -1.444   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       2.580  -1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.580  -0.206   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       3.365  -1.286   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       3.850  -0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.365   0.049   0.000  1.00  0.00           C  
HETATM   11 CL   UNL     1       3.777   0.763   0.000  1.00  0.00          Cl  
HETATM   12  N   UNL     1       0.437  -1.444   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.278  -1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.278  -0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.992   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.706  -0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.706  -1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.992  -1.444   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.421  -1.444   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.135  -1.031   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.850  -1.444   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.850  -2.269   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.135  -2.681   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.421  -2.269   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.580   1.444   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.580   2.269   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.866   2.681   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.151   2.269   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.151   1.444   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       0.437   2.681   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -0.278   2.269   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.992   2.681   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.706   2.269   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1      -0.278   1.444   0.000  1.00  0.00           O  
CONECT    1    2   25   29                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   12                                            
CONECT    5    4    6                                                 
CONECT    6    5    7    8                                            
CONECT    7    6    2   10                                            
CONECT    8    6    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    7   11                                            
CONECT   11   10                                                      
CONECT   12    4   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   13                                                 
CONECT   19   17   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25    1   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28    1                                                 
CONECT   30   28   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0J8YF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.874   0.321   0.000  1.00  0.00           N  
HETATM    2  N   UNL     1      -1.874  -0.504   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.160  -0.916   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.445  -0.504   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.445   0.321   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.160   0.734   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.168   0.873   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.168   1.627   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.988   1.541   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.160  -1.741   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.445  -2.154   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.269  -1.741   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.269  -0.916   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.540   2.154   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.975   0.702   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.230  -0.083   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.037  -0.254   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.589   0.359   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.334   1.143   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.527   1.315   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.272   2.099   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.874  -2.154   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.589  -1.741   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   10                                            
CONECT    4    3    5   13                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1    9                                            
CONECT    7    5    8   15                                            
CONECT    8    7    9                                                 
CONECT    9    8    6   14                                            
CONECT   10    3   11   22                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    4                                                 
CONECT   14    9                                                      
CONECT   15    7   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
CONECT   22   10   23                                                 
CONECT   23   22                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0J9CS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.095   1.238   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.095   0.412   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.381   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.666   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.666   1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.381   1.650   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.952   0.000   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.238   0.412   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.523   0.000   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.191   0.412   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.906   0.000   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.523  -0.825   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.906  -0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.620  -1.238   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.335  -0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.335   0.000   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.620   0.412   0.000  1.00  0.00           C  
HETATM   18  F   UNL     1       3.049   0.412   0.000  1.00  0.00           F  
HETATM   19  C   UNL     1      -3.381  -0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.095  -1.238   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.095  -2.062   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.381  -2.475   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.666  -2.062   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.666  -1.238   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.810   1.650   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1      -5.524   1.238   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1      -4.810   2.475   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -5.524   2.062   0.000  1.00  0.00           F  
HETATM   29  C   UNL     1       3.049  -1.238   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       3.874  -1.238   0.000  1.00  0.00           N  
HETATM   31  S   UNL     1       4.699  -1.238   0.000  1.00  0.00           S  
HETATM   32  C   UNL     1       5.524  -1.238   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       4.699  -0.412   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1       4.699  -2.062   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1      -1.952  -2.475   0.000  1.00  0.00           C  
CONECT    1    2    6   25                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   19                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11                                                 
CONECT   11   10   13   17                                            
CONECT   12    9                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   29                                            
CONECT   16   15   17   18                                            
CONECT   17   16   11                                                 
CONECT   18   16                                                      
CONECT   19    3   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   35                                            
CONECT   24   23   19                                                 
CONECT   25    1   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
CONECT   29   15   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   33   34                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
CONECT   35   23                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0J9DI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.951   1.648   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.951   0.823   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.665   0.410   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.379   0.823   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.379   1.648   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.665   2.060   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.665  -0.412   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.238   0.412   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.476   0.824   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.190   0.412   0.000  1.00  0.00           C  
HETATM   11  S   UNL     1      -1.944   0.747   0.000  1.00  0.00           S  
HETATM   12  C   UNL     1      -2.496   0.134   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.084  -0.580   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.277  -0.409   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.314   0.220   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.649   0.974   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.470   1.060   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.955   0.393   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.619  -0.361   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.799  -0.447   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -5.775   0.306   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -5.947  -0.501   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -5.232  -0.913   0.000  1.00  0.00           N  
HETATM   24  O   UNL     1       0.953  -0.823   0.000  1.00  0.00           O  
HETATM   25  N   UNL     1       2.377  -0.823   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       3.091  -0.410   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.806  -0.823   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.806  -1.648   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.520  -2.060   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.235  -1.648   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.235  -0.823   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.520  -0.410   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.091   0.412   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1       5.947  -2.059   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3   24   25                                            
CONECT    8    2    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   12   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20   23                                            
CONECT   20   19   15                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   19                                                 
CONECT   24    7                                                      
CONECT   25    7   26                                                 
CONECT   26   25   27   33                                            
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   34                                            
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   26                                                      
CONECT   34   30                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END

$$$$

$$$$

$$$$
D0J9FN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.090   2.903   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.090   2.078   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.375   1.665   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.339   2.078   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.339   2.903   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.375   3.315   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.874   3.158   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.359   2.490   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -1.874   1.823   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.375   4.140   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.090   4.553   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       0.339   4.553   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.129   3.942   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.129   1.038   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.577   0.425   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.832  -0.360   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.280  -0.973   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.473  -0.801   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.218  -0.017   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.770   0.597   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       0.079  -1.414   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.176  -2.199   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.983  -2.370   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.238  -3.155   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.686  -3.768   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.121  -3.597   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.376  -2.812   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.045  -3.327   0.000  1.00  0.00           C  
HETATM   29 CL   UNL     1      -0.941  -4.553   0.000  1.00  0.00          Cl  
HETATM   30  C   UNL     1       0.673  -4.210   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.054   1.665   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.140   0.845   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.947   0.673   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.359   1.388   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1       1.807   2.001   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   31                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   10                                            
CONECT    7    1    8   13                                            
CONECT    8    7    9                                                 
CONECT    9    8    2   14                                            
CONECT   10    6   11   12                                            
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13    7                                                      
CONECT   14    9   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25   28                                            
CONECT   25   24   26   29                                            
CONECT   26   25   27   30                                            
CONECT   27   26   22                                                 
CONECT   28   24                                                      
CONECT   29   25                                                      
CONECT   30   26                                                      
CONECT   31    4   32   35                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   31                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0J9JB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.435   1.385   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.435   0.560   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.721   0.147   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.006   0.560   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.006   1.385   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.721   1.797   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.220   1.640   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.705   0.972   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.220   0.305   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.475   2.424   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.721  -0.678   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.292   0.147   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.577   0.560   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.863   0.147   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.863  -0.678   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.148  -1.090   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.566  -0.678   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.566   0.147   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.148   0.560   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.280  -1.090   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.995  -0.678   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.709  -1.090   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.709  -1.915   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.424  -2.328   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.138  -1.915   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.138  -1.090   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.424  -0.678   0.000  1.00  0.00           C  
HETATM   28 CL   UNL     1       3.424   0.147   0.000  1.00  0.00          Cl  
HETATM   29  F   UNL     1       4.923  -0.835   0.000  1.00  0.00           F  
HETATM   30  C   UNL     1       4.923  -2.170   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       5.705  -2.424   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   11                                            
CONECT    4    3    5   12                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    7                                                      
CONECT   11    3                                                      
CONECT   12    4   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   30   24   26                                            
CONECT   26   25   27   29                                            
CONECT   27   26   22   28                                            
CONECT   28   27                                                      
CONECT   29   26                                                      
CONECT   30   31   25                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0J9JS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.913   0.151   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.199   0.563   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.484   0.151   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.770   0.563   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.770   1.388   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.484   1.801   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.199   1.388   0.000  1.00  0.00           C  
HETATM    8 CL   UNL     1      -2.913   1.801   0.000  1.00  0.00          Cl  
HETATM    9  N   UNL     1      -0.055   0.151   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.055  -0.674   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.659  -1.087   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.374  -0.674   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.374   0.151   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.659   0.563   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.628   0.563   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.342   0.151   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.342  -0.674   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.628  -1.087   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.913  -0.674   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.057  -1.087   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.199  -1.087   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.247  -1.801   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.072  -1.801   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.088  -1.087   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       2.803  -0.674   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       2.803   0.151   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.088   0.563   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       3.517  -1.087   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       4.232  -0.674   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.057  -0.674   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.644   0.040   0.000  1.00  0.00           C  
CONECT    1    2   15   19                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    2    8                                            
CONECT    8    7                                                      
CONECT    9    4   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   22   23                                       
CONECT   12   11   13   24                                            
CONECT   13   12   14   27                                            
CONECT   14   13    9                                                 
CONECT   15    1   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18    1   21                                            
CONECT   20   17                                                      
CONECT   21   19                                                      
CONECT   22   11                                                      
CONECT   23   11                                                      
CONECT   24   12   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   13                                                 
CONECT   28   25   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29   31                                                 
CONECT   31   30   29                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0J9WP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.730  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.730  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.016  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.301  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.301  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.016   0.206   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -4.016   1.031   0.000  1.00  0.00          Cl  
HETATM    8 CL   UNL     1      -5.445   0.206   0.000  1.00  0.00          Cl  
HETATM    9  N   UNL     1      -2.587   0.206   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.872  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.158   0.206   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.443  -0.206   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1      -1.158   1.031   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.872  -1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.271   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.986  -0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.700   0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.700   1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.986   1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.271   1.031   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.485  -0.049   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.970   0.619   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       2.485   1.286   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       3.795   0.619   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.207  -0.096   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       5.032  -0.096   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       5.445   0.619   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       5.032   1.333   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.207   1.333   0.000  1.00  0.00           C  
CONECT    1    2    6    8                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    1                                                      
CONECT    9    5   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12   13                                            
CONECT   12   11   15                                                 
CONECT   13   11                                                      
CONECT   14   10                                                      
CONECT   15   12   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   17   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   18                                                 
CONECT   24   22   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0J9YV
  -OEChem-09301911162D

 45 47  0     0  0  0  0  0  0999 V2000
   11.0190   -1.6464    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5549    0.3536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6888   -0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4300   -1.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7229    0.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    1.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4209   -0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    2.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2869    1.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2869    1.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1529   -0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4209   -1.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1529   -1.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869   -1.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1807   -0.5239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2696   -1.7112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0289   -1.2728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8834    0.7112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1241    0.2728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9069    2.3535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    2.9736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6669    2.3535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2869    0.7336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9069    1.3536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2869    1.9736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2869    1.9736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6669    1.3536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2869    0.7336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6899    0.1636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8840   -1.4564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869   -2.2664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.1636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.4564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5 18  1  0  0  0  0
  5 23  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 19  2  0  0  0  0
 16 39  1  0  0  0  0
 17 20  2  0  0  0  0
 17 40  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  1  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 22 24  2  0  0  0  0
 22 43  1  0  0  0  0
 23 24  1  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
M  END

$$$$
D0J9YX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.285   0.382   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.285  -0.443   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.571  -0.856   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.856  -0.443   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.856   0.382   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.571   0.794   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.571   1.619   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.856   2.032   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.142   1.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.471   2.171   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.136   2.925   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1      -0.685   2.839   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       0.030   0.812   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1       0.814   0.558   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.427   1.110   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.256   1.917   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.212   0.855   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       0.986  -0.249   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.373  -0.801   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.544  -1.608   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.329  -1.863   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.942  -1.311   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.771  -0.504   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       1.500  -2.670   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       2.285  -2.925   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10   13                                            
CONECT   10    9   11   16                                            
CONECT   11   10   12                                                 
CONECT   12   11    8                                                 
CONECT   13    9   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16   17                                            
CONECT   16   15   10                                                 
CONECT   17   15                                                      
CONECT   18   14   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   21   25                                                 
CONECT   25   24                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0J9ZG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.295   0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.295  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.580  -0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.866  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.866   0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.580   1.031   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -4.079   0.874   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -4.564   0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.079  -0.461   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.334  -1.246   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -2.580  -1.444   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.866  -1.856   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.866  -2.681   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.151  -3.094   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.437  -2.681   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.437  -1.856   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.151  -1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.151   1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.437   0.619   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.278   1.031   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.278   1.856   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.437   2.269   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.151   1.856   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.992   2.269   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       0.992   3.094   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1       1.706   1.856   0.000  1.00  0.00           N  
HETATM   27  N   UNL     1       0.992   0.619   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       0.992  -0.206   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.706  -0.619   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       2.421  -0.206   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       2.421   0.619   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.706   1.031   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.135  -0.619   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.135  -1.444   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.850  -1.856   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.564  -1.444   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.564  -0.619   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       3.850  -0.206   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   11                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   18                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    2   10                                            
CONECT   10    9                                                      
CONECT   11    3   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    5   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   27                                            
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   21   25   26                                            
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   20   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   30   34   38                                            
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   33                                                 
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0JA0A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.428   2.091   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.428   1.266   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.714   0.853   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.001   1.266   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.001   2.091   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.714   2.503   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.143   0.853   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.143   0.028   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.428  -0.384   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.428  -1.209   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.714  -1.622   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.001  -1.209   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.001  -0.384   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.714   0.028   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.715   2.503   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.430   2.091   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       0.715   3.328   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.144   2.503   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.859   2.091   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.715  -1.622   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.857   1.266   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       0.801  -2.442   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.608  -2.614   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.021  -1.899   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.469  -1.286   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.572   0.853   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.286   1.266   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.021  -3.328   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.846  -3.328   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.258  -2.614   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.846  -1.899   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.572   2.503   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       3.572   3.328   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1       4.286   2.091   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   15                                            
CONECT    6    5    1                                                 
CONECT    7    2    8   21                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   20                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    5   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   19                                                 
CONECT   19   18   32                                                 
CONECT   20   12   22   25                                            
CONECT   21    7   26                                                 
CONECT   22   20   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25   31                                            
CONECT   25   24   20                                                 
CONECT   26   21   27                                                 
CONECT   27   26                                                      
CONECT   28   23   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   24                                                 
CONECT   32   19   33   34                                            
CONECT   33   32                                                      
CONECT   34   32                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0JA4K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.380   1.422   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.380   0.597   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.666   0.185   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.951   0.597   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.951   1.422   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.666   1.835   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.236   0.185   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.522   0.597   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.522   1.422   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.236   1.835   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.666  -0.640   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.951  -1.053   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.236  -0.640   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.951  -1.878   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.236  -2.290   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.522  -1.878   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.522  -1.053   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.192  -2.290   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.989  -2.077   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.573  -2.660   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.369  -2.446   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.583  -1.649   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.000  -1.066   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.203  -1.280   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       3.380  -1.436   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.236   2.660   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   11                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   13                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   26                                            
CONECT   11    3   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    7   17                                            
CONECT   14   12   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   13                                                 
CONECT   18   16   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22                                                      
CONECT   26   10                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0JA5B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.799  -2.179   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.799  -3.004   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.085  -3.416   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.370  -3.004   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.370  -2.179   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.085  -1.766   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.656  -3.416   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.058  -3.004   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.058  -2.179   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.656  -1.766   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.656  -0.941   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.058  -0.529   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.058   0.296   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.773   0.709   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.773   1.534   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.440   2.019   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.185   2.803   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.360   2.803   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.106   2.019   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.247   1.847   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.799   2.460   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.544   3.245   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.737   3.416   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.679   1.764   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.292   2.316   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.851   0.957   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17   20                                            
CONECT   17   16   18   23                                            
CONECT   18   17   19                                                 
CONECT   19   18   15   24                                            
CONECT   20   16   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   17                                                 
CONECT   24   19   25   26                                            
CONECT   25   24                                                      
CONECT   26   24                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0JA8J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.126   0.861   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.457   0.278   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.365  -0.542   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.334  -0.981   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.112  -0.709   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       1.385   0.070   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.946   0.769   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.236   0.550   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.389   1.361   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.168   1.633   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.321   2.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.100   2.716   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.725   2.178   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.572   1.368   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.793   1.095   0.000  1.00  0.00           C  
HETATM   16  F   UNL     1      -4.504   2.451   0.000  1.00  0.00           F  
HETATM   17  C   UNL     1       2.205   0.162   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.146   1.640   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       2.695  -0.501   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       2.535   0.919   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.045   1.582   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.354   1.011   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.684   1.767   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       3.194   2.431   0.000  1.00  0.00           O  
HETATM   25  N   UNL     1       4.504   1.860   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       2.375   2.339   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.885   3.002   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       2.215   3.759   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       1.725   4.422   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.905   4.330   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.575   3.574   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.065   2.910   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       0.241  -1.801   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1       1.696  -1.292   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.482  -2.089   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.066  -2.672   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       1.852  -3.469   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       2.435  -4.052   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       3.232  -3.839   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       3.446  -3.042   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       2.862  -2.459   0.000  1.00  0.00           C  
HETATM   42  F   UNL     1       3.816  -4.422   0.000  1.00  0.00           F  
CONECT    1    2    7   18                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   33                                            
CONECT    5    4    6   34                                            
CONECT    6    5    7   17                                            
CONECT    7    6    1                                                 
CONECT    8    2    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13                                                      
CONECT   17    6   19   20                                            
CONECT   18    1                                                      
CONECT   19   17                                                      
CONECT   20   17   21   22                                            
CONECT   21   20   26                                                 
CONECT   22   20   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   21   27                                                 
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33    4                                                      
CONECT   34    5   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37   41                                            
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40   42                                            
CONECT   40   39   41                                                 
CONECT   41   40   36                                                 
CONECT   42   39                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END

$$$$

$$$$

$$$$
D0JB1V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.992  -1.752   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.992  -2.576   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.278  -2.989   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.437  -2.576   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.437  -1.752   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.278  -1.339   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.222  -2.831   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1       1.706  -2.164   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.222  -1.496   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.278  -0.514   0.000  1.00  0.00           N  
HETATM   11 CL   UNL     1      -1.706  -2.989   0.000  1.00  0.00          Cl  
HETATM   12  C   UNL     1       0.437  -0.102   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.437   0.724   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.278   1.136   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.992   0.724   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.992  -0.102   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.151   1.136   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.234   0.510   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.390   1.621   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       0.135   2.406   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.690   2.406   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.945   1.621   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       0.718   2.989   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.659   1.208   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    6   12   16                                            
CONECT   11    2                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14   17   18                                       
CONECT   14   13   15   19   22                                       
CONECT   15   14   16                                                 
CONECT   16   15   10                                                 
CONECT   17   13                                                      
CONECT   18   13                                                      
CONECT   19   14   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   14   24                                            
CONECT   23   20                                                      
CONECT   24   22                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0JB4S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.392  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.678   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.964  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.249   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.535  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.180   0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.894  -0.206   0.000  1.00  0.00           N  
HETATM    8  CA  UNL     1       1.609   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.323  -0.206   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       3.038   0.206   0.000  1.00  0.00           O  
HETATM   11  S   UNL     1      -4.107   0.206   0.000  1.00  0.00           S  
HETATM   12  O   UNL     1      -1.249   1.031   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1       0.180   1.031   0.000  1.00  0.00           O  
HETATM   14  OXT UNL     1       2.323  -1.031   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       4.107   0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.392   0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.678   0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.964   0.825   0.000  1.00  0.00           C  
CONECT    1    2   11                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   12                                            
CONECT    5    4    6                                                 
CONECT    6    5    7   13                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   18                                            
CONECT    9    8   10   14                                            
CONECT   10    9                                                      
CONECT   11    1                                                      
CONECT   12    4                                                      
CONECT   13    6                                                      
CONECT   14    9                                                      
CONECT   15   16                                                      
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18    8   17                                                 
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D0JB7I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.354  -0.898   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.354  -1.723   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.069  -2.136   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.783  -1.723   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.783  -0.898   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.069  -0.486   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.568  -1.978   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1       3.053  -1.311   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.568  -0.643   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.823   0.141   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.607   0.396   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       3.607   1.221   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       2.823   1.476   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.338   0.809   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.360  -0.486   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.360   0.339   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.075   0.752   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.789   0.339   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.789  -0.486   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.075  -0.898   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.503   0.752   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       4.275   1.706   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.442   1.575   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.047   2.136   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.862   2.013   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.275   1.298   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.974   0.530   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.185   0.287   0.000  1.00  0.00           C  
CONECT    1    2    6   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   22                                            
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15    1   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   23   28                                            
CONECT   22   12                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   21                                                 
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0JC3U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.082  -0.084   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.082  -0.908   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.367  -1.321   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.653  -0.908   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.653  -0.084   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.367   0.329   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.796  -1.321   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.062   0.329   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.776  -0.084   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.491   0.329   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.244  -0.007   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.796   0.607   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.384   1.321   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       1.577   1.149   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1       0.062  -1.321   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   15                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15    4                                                      
MASTER        0    0    0    0    0    0    0    0   15    0   15    0
END
M  END

$$$$
D0JC8E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.010   3.562   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.010   2.736   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.296   2.324   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.581   2.736   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.581   3.562   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.296   3.974   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.867   2.324   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.152   2.736   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.152   3.562   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.867   3.974   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.695   1.517   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1       0.125   1.431   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.461   2.184   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.268   2.356   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       1.820   1.743   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1       1.523   3.141   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1      -3.725   2.324   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.725   1.499   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.439   1.087   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.439   0.262   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.725  -0.151   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.010   0.262   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.010   1.087   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.725  -0.976   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.010  -1.389   0.000  1.00  0.00           N  
HETATM   26  O   UNL     1      -4.439  -1.389   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.010  -2.213   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.725  -2.626   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.725  -3.451   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -3.010  -3.864   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.296  -3.451   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.296  -2.626   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.010  -4.689   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.279   4.689   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.454   4.689   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.617   1.956   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.029   2.671   0.000  1.00  0.00           C  
HETATM   38  N   UNL     1       3.854   2.671   0.000  1.00  0.00           N  
HETATM   39  C   UNL     1       3.119   1.302   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       2.803   0.540   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       3.305  -0.115   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       4.123  -0.007   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       4.439   0.755   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       3.937   1.410   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   17                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9    5   34   35                                       
CONECT   11    7   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8   14                                            
CONECT   14   13   15   16                                            
CONECT   15   14   36                                                 
CONECT   16   14                                                      
CONECT   17    2   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   21   25   26                                            
CONECT   25   24   27                                                 
CONECT   26   24                                                      
CONECT   27   25   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   30                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   15   37   39                                            
CONECT   37   36   38                                                 
CONECT   38   37                                                      
CONECT   39   36   40   44                                            
CONECT   40   39   41                                                 
CONECT   41   40   42                                                 
CONECT   42   41   43                                                 
CONECT   43   42   44                                                 
CONECT   44   43   39                                                 
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
M  END

$$$$
D0JC8L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.042   0.181   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.756   0.594   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.471   0.181   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       2.185   0.594   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1       0.756   1.419   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1       2.900   0.181   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.614   0.594   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.614   1.419   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.900   1.831   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.185   1.419   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.071  -0.626   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.892  -0.712   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       4.227   0.042   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       4.304  -1.427   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.875   0.121   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.875  -0.704   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.160  -1.117   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.446  -0.704   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.446   0.121   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.160   0.533   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.833   0.673   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.168   1.427   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.989   1.340   0.000  1.00  0.00           C  
HETATM   24  H   UNL     1      -3.589   0.533   0.000  1.00  0.00           H  
HETATM   25  C   UNL     1      -3.590  -1.117   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1      -3.177  -1.831   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1      -4.304  -1.529   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -4.002  -0.402   0.000  1.00  0.00           F  
CONECT    1    2   21                                                 
CONECT    2    1    3    5                                            
CONECT    3    2    4                                                 
CONECT    4    3    6   10                                            
CONECT    5    2                                                      
CONECT    6    4    7   11                                            
CONECT    7    6    8   13                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    6   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    7                                                 
CONECT   14   12                                                      
CONECT   15   16   20   24                                            
CONECT   16   15   17   25                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   15   23                                            
CONECT   21   19   22    1                                            
CONECT   22   21   23                                                 
CONECT   23   22   20                                                 
CONECT   24   15                                                      
CONECT   25   16   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0JC8M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.250  -2.396   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.250  -3.221   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.536  -3.634   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.821  -3.221   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.821  -2.396   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.536  -1.984   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.536  -1.159   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.965  -3.634   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.821  -0.746   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.821   0.079   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.107   0.491   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.107   1.316   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.821   1.729   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.536   1.316   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.536   0.491   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.322   0.236   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.163   0.904   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.322   1.571   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.322   2.396   0.000  1.00  0.00           C  
HETATM   20  H   UNL     1      -1.107  -0.334   0.000  1.00  0.00           H  
HETATM   21  C   UNL     1      -1.037   2.809   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.392   2.809   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.107   2.396   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.821   2.809   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.021   2.137   0.000  1.00  0.00           C  
HETATM   26  S   UNL     1       2.536   2.396   0.000  1.00  0.00           S  
HETATM   27  C   UNL     1       3.250   2.809   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.250   3.634   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.965   2.396   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.965   3.221   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       2.123   1.682   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       2.948   1.682   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    9                                                 
CONECT    8    2                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12   16   20                                       
CONECT   12   11   13   18   25                                       
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   11   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   12   19                                            
CONECT   19   18   21   22                                            
CONECT   20   11                                                      
CONECT   21   19                                                      
CONECT   22   19   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   26                                                 
CONECT   25   12                                                      
CONECT   26   24   27   31   32                                       
CONECT   27   26   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
CONECT   31   26                                                      
CONECT   32   26                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0JD5W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.484   1.192   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.769   1.604   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.055   1.192   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.198   1.604   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.198   2.429   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.913   2.842   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.627   2.429   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.627   1.604   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.913   1.192   0.000  1.00  0.00           C  
HETATM   10  I   UNL     1      -4.341   2.842   0.000  1.00  0.00           I  
HETATM   11  F   UNL     1      -2.913   0.367   0.000  1.00  0.00           F  
HETATM   12  C   UNL     1      -1.896   0.477   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.071   0.477   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.769   2.429   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.268   0.395   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.424  -0.054   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.065   0.465   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.769   1.235   0.000  1.00  0.00           C  
HETATM   19  S   UNL     1       0.467  -0.878   0.000  1.00  0.00           S  
HETATM   20  C   UNL     1       1.484   1.647   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       1.484   2.473   0.000  1.00  0.00           O  
HETATM   22  N   UNL     1       2.198   1.235   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.913   1.647   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.627   1.235   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       4.341   0.823   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       3.325   2.362   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.500   2.362   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.117  -1.462   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       1.292  -0.878   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       0.879  -1.593   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -0.913  -1.248   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.497  -1.831   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.283  -2.628   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.486  -2.842   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       0.097  -2.259   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1       0.894  -2.472   0.000  1.00  0.00           F  
CONECT    1    2    4   12   13                                       
CONECT    2    1    3   14                                            
CONECT    3    2   15   18                                            
CONECT    4    1    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    4   11                                            
CONECT   10    7                                                      
CONECT   11    9                                                      
CONECT   12    1   13                                                 
CONECT   13   12    1                                                 
CONECT   14    2                                                      
CONECT   15    3   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17    3   20                                            
CONECT   19   16   28   29   30                                       
CONECT   20   18   21   22                                            
CONECT   21   20                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24   26   27                                       
CONECT   24   23   25                                                 
CONECT   25   24                                                      
CONECT   26   23   27                                                 
CONECT   27   26   23                                                 
CONECT   28   19   31   35                                            
CONECT   29   19                                                      
CONECT   30   19                                                      
CONECT   31   28   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   28   36                                            
CONECT   36   35                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0JD9Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.129  -0.712   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.129  -1.536   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.414  -1.949   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.700  -1.536   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.700  -0.712   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.414  -0.299   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -5.843  -0.299   0.000  1.00  0.00           F  
HETATM    8  F   UNL     1      -4.414  -2.774   0.000  1.00  0.00           F  
HETATM    9  C   UNL     1      -2.986  -0.299   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.271  -0.712   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.271  -1.536   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.556  -1.949   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.842  -1.536   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.842  -0.712   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.556  -0.299   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.057  -1.791   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       0.427  -1.124   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.057  -0.457   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.198   0.328   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.004   0.500   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.556  -0.114   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       1.259   1.284   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.556  -0.939   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.271  -1.351   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.986  -0.939   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.986  -0.114   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.271   0.299   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       2.271   1.124   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       2.986   1.536   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.700   1.124   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.414   1.536   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       4.414   2.361   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       3.700   2.774   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.986   2.361   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1       3.700  -1.351   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1       3.700  -2.176   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.414  -2.588   0.000  1.00  0.00           C  
HETATM   38  N   UNL     1       5.129  -2.176   0.000  1.00  0.00           N  
HETATM   39  C   UNL     1       5.129  -1.351   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       4.414  -0.939   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       5.843  -2.588   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    3                                                      
CONECT    9    5   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   18                                            
CONECT   15   14   10                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   14   19                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   23   27                                            
CONECT   22   20                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   35                                            
CONECT   26   25   27                                                 
CONECT   27   26   21   28                                            
CONECT   28   27   29                                                 
CONECT   29   28   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   25   36   40                                            
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39   41                                            
CONECT   39   38   40                                                 
CONECT   40   39   35                                                 
CONECT   41   38                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D0JE1M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -9.254  -2.190   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.841  -2.904   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.043  -2.695   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.250  -2.904   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1      -7.662  -2.190   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1      -8.460  -2.399   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -6.535  -3.317   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -5.821  -2.904   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.408  -3.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.610  -3.410   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.817  -3.619   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.229  -2.904   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -5.028  -3.113   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.102  -3.206   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -4.120  -1.869   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.708  -2.583   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.910  -2.374   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.116  -2.583   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.529  -1.869   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.327  -2.078   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.116  -1.154   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.341   0.148   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.929  -0.567   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.130  -0.358   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.337  -0.567   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.750   0.148   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.548  -0.061   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.754   0.017   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       0.071   0.017   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.786  -0.396   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.500   0.017   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.500   0.842   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       0.786   1.254   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       0.071   0.842   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.215  -0.396   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.929   0.017   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       2.929   0.842   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       2.215   1.254   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       3.644   1.254   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       3.644   2.079   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       2.929   2.492   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       2.215   2.079   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       4.358   0.842   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       5.072   1.254   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1       5.072   2.079   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1       4.358   2.492   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1       5.787   2.492   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1       5.787   3.317   0.000  1.00  0.00           C  
HETATM   49  C   UNL     1       5.072   3.729   0.000  1.00  0.00           C  
HETATM   50  C   UNL     1       4.358   3.317   0.000  1.00  0.00           C  
HETATM   51  C   UNL     1       1.500   1.667   0.000  1.00  0.00           C  
HETATM   52  C   UNL     1       2.929   1.667   0.000  1.00  0.00           C  
HETATM   53  C   UNL     1       5.485   4.444   0.000  1.00  0.00           C  
HETATM   54  C   UNL     1       4.660   4.444   0.000  1.00  0.00           C  
HETATM   55  C   UNL     1       0.071  -0.808   0.000  1.00  0.00           C  
HETATM   56  C   UNL     1       1.500  -0.808   0.000  1.00  0.00           C  
HETATM   57  O   UNL     1       1.500  -1.633   0.000  1.00  0.00           O  
HETATM   58  C   UNL     1       0.786  -2.046   0.000  1.00  0.00           C  
HETATM   59  O   UNL     1       0.071  -1.633   0.000  1.00  0.00           O  
HETATM   60  C   UNL     1      -0.018  -2.694   0.000  1.00  0.00           C  
HETATM   61  C   UNL     1       0.394  -3.408   0.000  1.00  0.00           C  
HETATM   62  C   UNL     1       1.193  -3.199   0.000  1.00  0.00           C  
HETATM   63  C   UNL     1       1.986  -3.408   0.000  1.00  0.00           C  
HETATM   64  C   UNL     1       1.573  -2.694   0.000  1.00  0.00           C  
HETATM   65  C   UNL     1       0.775  -2.903   0.000  1.00  0.00           C  
HETATM   66  O   UNL     1       2.783  -3.195   0.000  1.00  0.00           O  
HETATM   67  C   UNL     1       2.996  -2.398   0.000  1.00  0.00           C  
HETATM   68  C   UNL     1       3.821  -2.398   0.000  1.00  0.00           C  
HETATM   69  O   UNL     1       2.584  -1.683   0.000  1.00  0.00           O  
HETATM   70  C   UNL     1       4.234  -3.112   0.000  1.00  0.00           C  
HETATM   71  C   UNL     1       5.059  -3.112   0.000  1.00  0.00           C  
HETATM   72  C   UNL     1       5.471  -3.827   0.000  1.00  0.00           C  
HETATM   73  C   UNL     1       6.296  -3.827   0.000  1.00  0.00           C  
HETATM   74  C   UNL     1       6.709  -3.112   0.000  1.00  0.00           C  
HETATM   75  C   UNL     1       6.296  -2.398   0.000  1.00  0.00           C  
HETATM   76  C   UNL     1       5.471  -2.398   0.000  1.00  0.00           C  
HETATM   77  O   UNL     1       6.709  -1.683   0.000  1.00  0.00           O  
HETATM   78  O   UNL     1       7.534  -3.112   0.000  1.00  0.00           O  
HETATM   79  C   UNL     1       5.869   1.866   0.000  1.00  0.00           C  
HETATM   80  O   UNL     1       6.584   2.278   0.000  1.00  0.00           O  
HETATM   81  O   UNL     1       6.282   1.151   0.000  1.00  0.00           O  
HETATM   82  C   UNL     1       7.079   1.365   0.000  1.00  0.00           C  
HETATM   83  C   UNL     1       7.491   0.650   0.000  1.00  0.00           C  
HETATM   84  C   UNL     1       8.289   0.859   0.000  1.00  0.00           C  
HETATM   85  C   UNL     1       9.083   0.650   0.000  1.00  0.00           C  
HETATM   86  C   UNL     1       8.670   1.365   0.000  1.00  0.00           C  
HETATM   87  O   UNL     1       7.872   1.156   0.000  1.00  0.00           O  
HETATM   88  C   UNL     1       9.385   0.952   0.000  1.00  0.00           C  
HETATM   89  O   UNL     1       9.968   1.536   0.000  1.00  0.00           O  
HETATM   90  O   UNL     1       8.873   0.276   0.000  1.00  0.00           O  
HETATM   91  O   UNL     1       9.879   0.864   0.000  1.00  0.00           O  
HETATM   92  O   UNL     1       6.694   0.864   0.000  1.00  0.00           O  
HETATM   93  H   UNL     1       7.079   2.190   0.000  1.00  0.00           H  
HETATM   94  C   UNL     1       3.644   0.429   0.000  1.00  0.00           C  
HETATM   95  H   UNL     1       1.986  -4.233   0.000  1.00  0.00           H  
HETATM   96  O   UNL     1       1.406  -3.996   0.000  1.00  0.00           O  
HETATM   97  O   UNL     1       0.394  -4.233   0.000  1.00  0.00           O  
HETATM   98  O   UNL     1       0.775  -3.728   0.000  1.00  0.00           O  
HETATM   99  H   UNL     1      -8.841  -3.729   0.000  1.00  0.00           H  
HETATM  100  O   UNL     1      -9.968  -2.602   0.000  1.00  0.00           O  
HETATM  101  O   UNL     1      -9.666  -2.904   0.000  1.00  0.00           O  
HETATM  102  C   UNL     1      -8.873  -1.684   0.000  1.00  0.00           C  
HETATM  103  O   UNL     1      -8.873  -0.859   0.000  1.00  0.00           O  
HETATM  104  H   UNL     1      -8.043  -1.870   0.000  1.00  0.00           H  
HETATM  105  O   UNL     1      -6.233  -3.619   0.000  1.00  0.00           O  
HETATM  106  H   UNL     1      -5.408  -4.444   0.000  1.00  0.00           H  
HETATM  107  O   UNL     1      -4.397  -4.206   0.000  1.00  0.00           O  
HETATM  108  O   UNL     1      -7.829  -3.492   0.000  1.00  0.00           O  
HETATM  109  O   UNL     1      -7.250  -3.729   0.000  1.00  0.00           O  
HETATM  110  H   UNL     1      -3.817  -4.444   0.000  1.00  0.00           H  
HETATM  111  C   UNL     1      -5.440  -2.399   0.000  1.00  0.00           C  
HETATM  112  O   UNL     1      -5.440  -1.574   0.000  1.00  0.00           O  
HETATM  113  H   UNL     1      -4.610  -2.585   0.000  1.00  0.00           H  
HETATM  114  O   UNL     1      -4.422  -2.171   0.000  1.00  0.00           O  
HETATM  115  C   UNL     1      -4.917  -1.655   0.000  1.00  0.00           C  
HETATM  116  H   UNL     1      -2.910  -1.549   0.000  1.00  0.00           H  
HETATM  117  O   UNL     1      -2.116  -3.408   0.000  1.00  0.00           O  
HETATM  118  H   UNL     1      -1.319  -2.370   0.000  1.00  0.00           H  
HETATM  119  H   UNL     1      -1.704  -1.869   0.000  1.00  0.00           H  
HETATM  120  H   UNL     1      -3.708  -3.408   0.000  1.00  0.00           H  
HETATM  121  O   UNL     1      -3.341   0.973   0.000  1.00  0.00           O  
HETATM  122  O   UNL     1      -3.643  -0.154   0.000  1.00  0.00           O  
HETATM  123  H   UNL     1      -3.512  -1.150   0.000  1.00  0.00           H  
HETATM  124  H   UNL     1      -2.548  -0.886   0.000  1.00  0.00           H  
HETATM  125  H   UNL     1      -1.337  -1.392   0.000  1.00  0.00           H  
CONECT    1    6  100    2                                            
CONECT    2   99  101    1    3                                       
CONECT    3  104  108    4    2                                       
CONECT    4    5    7  109    3                                       
CONECT    5    4    6                                                 
CONECT    6    5    1  102                                            
CONECT    7    4    8                                                 
CONECT    8    7   13    9                                            
CONECT    9  105  106    8   10                                       
CONECT   10  107  113   11    9                                       
CONECT   11   12   14  110   10                                       
CONECT   12   11   13                                                 
CONECT   13   12    8  111                                            
CONECT   14   11   17                                                 
CONECT   15   20  115   16                                            
CONECT   16  114  120   15   17                                       
CONECT   17   14  116   18   16                                       
CONECT   18   19  117  118   17                                       
CONECT   19   18   20   21  119                                       
CONECT   20   19   15                                                 
CONECT   21   19   24                                                 
CONECT   22   27  121   23                                            
CONECT   23  122  123   22   24                                       
CONECT   24   21   25   23                                            
CONECT   25   26   28  125   24                                       
CONECT   26   25   27                                                 
CONECT   27   26   22  124                                            
CONECT   28   25   29                                                 
CONECT   29   30   34   28                                            
CONECT   30   29   31   55   56                                       
CONECT   31   30   32   35                                            
CONECT   32   31   33   38   51                                       
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   31   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38   39   52                                       
CONECT   38   37   32   42                                            
CONECT   39   37   40   43   94                                       
CONECT   40   39   41   46                                            
CONECT   41   40   42                                                 
CONECT   42   41   38                                                 
CONECT   43   39   44                                                 
CONECT   44   43   45                                                 
CONECT   45   44   46   47   79                                       
CONECT   46   45   40   50                                            
CONECT   47   45   48                                                 
CONECT   48   47   49                                                 
CONECT   49   48   50   53   54                                       
CONECT   50   49   46                                                 
CONECT   51   32                                                      
CONECT   52   37                                                      
CONECT   53   49                                                      
CONECT   54   49                                                      
CONECT   55   30                                                      
CONECT   56   30   57                                                 
CONECT   57   56   58                                                 
CONECT   58   57   59   65                                            
CONECT   59   58                                                      
CONECT   60   65   61                                                 
CONECT   61   97   60   62                                            
CONECT   62   96   63   61                                            
CONECT   63   64   66   95   62                                       
CONECT   64   63   65                                                 
CONECT   65   64   60   58   98                                       
CONECT   66   63   67                                                 
CONECT   67   66   68   69                                            
CONECT   68   67   70                                                 
CONECT   69   67                                                      
CONECT   70   68   71                                                 
CONECT   71   70   72   76                                            
CONECT   72   71   73                                                 
CONECT   73   72   74                                                 
CONECT   74   73   75   78                                            
CONECT   75   74   76   77                                            
CONECT   76   75   71                                                 
CONECT   77   75                                                      
CONECT   78   74                                                      
CONECT   79   45   80   81                                            
CONECT   80   79                                                      
CONECT   81   79   82                                                 
CONECT   82   81   87   93   83                                       
CONECT   83   92   82   84                                            
CONECT   84   90   85   83                                            
CONECT   85   86   91   84                                            
CONECT   86   85   87   88                                            
CONECT   87   86   82                                                 
CONECT   88   86   89                                                 
CONECT   89   88                                                      
CONECT   90   84                                                      
CONECT   91   85                                                      
CONECT   92   83                                                      
CONECT   93   82                                                      
CONECT   94   39                                                      
CONECT   95   63                                                      
CONECT   96   62                                                      
CONECT   97   61                                                      
CONECT   98   65                                                      
CONECT   99    2                                                      
CONECT  100    1                                                      
CONECT  101    2                                                      
CONECT  102    6  103                                                 
CONECT  103  102                                                      
CONECT  104    3                                                      
CONECT  105    9                                                      
CONECT  106    9                                                      
CONECT  107   10                                                      
CONECT  108    3                                                      
CONECT  109    4                                                      
CONECT  110   11                                                      
CONECT  111   13  112                                                 
CONECT  112  111                                                      
CONECT  113   10                                                      
CONECT  114   16                                                      
CONECT  115   15                                                      
CONECT  116   17                                                      
CONECT  117   18                                                      
CONECT  118   18                                                      
CONECT  119   19                                                      
CONECT  120   16                                                      
CONECT  121   22                                                      
CONECT  122   23                                                      
CONECT  123   23                                                      
CONECT  124   27                                                      
CONECT  125   25                                                      
MASTER        0    0    0    0    0    0    0    0  125    0  125    0
END
M  END

$$$$
D0JF6W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.359   1.903   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.359   1.078   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.644   0.665   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.930   1.078   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.930   1.903   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.644   2.316   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.145   0.823   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.660   1.490   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.145   2.158   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.165   1.490   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.577   0.776   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.402   0.776   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.815   1.490   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.402   2.205   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.577   2.205   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.890   0.038   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.442  -0.575   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.188  -1.359   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.381  -1.531   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.171  -0.918   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1      -0.084  -0.133   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1      -0.126  -2.316   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       0.968  -1.131   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.182  -1.928   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.979  -2.142   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       2.562  -1.558   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.349  -0.761   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.552  -0.548   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.359  -1.772   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   16                                            
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    7   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21   23                                            
CONECT   21   20   16                                                 
CONECT   22   19                                                      
CONECT   23   20   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0JH7Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       3.134   1.321   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       3.134   0.496   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       3.848   0.084   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       4.563   0.496   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       4.563   1.321   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.848   1.734   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1       3.848   2.558   0.000  1.00  0.00          Cl  
HETATM    8  C   UNL     1       3.848  -0.742   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       3.134  -1.154   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       3.134  -1.979   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.419  -2.392   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1       2.419   1.734   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.333   2.554   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.526   2.725   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.114   2.011   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.666   1.398   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.293   1.925   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.192   2.592   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.012   2.506   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.348   1.752   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.863   1.085   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.042   1.171   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.168   1.666   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.989   1.580   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.809   1.494   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.563   1.829   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.477   1.009   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1       0.443   0.504   0.000  1.00  0.00           F  
HETATM   29  O   UNL     1       2.946   3.106   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       3.847  -2.392   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       3.434  -3.106   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       3.132  -1.979   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       4.260  -1.677   0.000  1.00  0.00           F  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    3    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   30                                            
CONECT   11   10                                                      
CONECT   12    1   13   16                                            
CONECT   13   12   14   29                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   12                                                 
CONECT   17   15   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   17   28                                            
CONECT   23   20   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   27                                                 
CONECT   27   26   25                                                 
CONECT   28   22                                                      
CONECT   29   13                                                      
CONECT   30   10   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0JI3T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.005   0.581   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.131  -0.233   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.944  -0.097   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.809   0.716   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.676   1.061   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.289   1.388   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.616  -0.577   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.349  -0.904   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.596   1.882   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.268   2.361   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.019   2.020   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.098   1.199   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.427   0.719   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       2.107   1.308   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1       0.948   2.136   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1      -1.100  -1.246   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.536  -1.398   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.207  -1.878   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.958  -1.536   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.038  -0.715   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.367  -0.236   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       0.175  -1.541   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.580  -1.917   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.401  -1.837   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.038  -2.361   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.536  -1.023   0.000  1.00  0.00           O  
CONECT    1    2    4    5                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4    7                                            
CONECT    4    3    1    6                                            
CONECT    5    1    9   13                                            
CONECT    6    4   14   15                                            
CONECT    7    3   17   21                                            
CONECT    8    2   16   22                                            
CONECT    9    5   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    5                                                 
CONECT   14    6                                                      
CONECT   15    6                                                      
CONECT   16    8   23                                                 
CONECT   17    7   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20    7                                                 
CONECT   22    8                                                      
CONECT   23   16   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24                                                      
CONECT   26   24                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0JJ0T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.463  -0.661   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.252  -0.248   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.966  -0.661   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.681  -0.248   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.177  -0.248   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       0.252   0.577   0.000  1.00  0.00           O  
HETATM    7  N   UNL     1       2.434  -0.584   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1       2.986   0.029   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.574   0.744   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.767   0.572   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.660   1.564   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.906   1.900   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.354   1.287   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.606  -1.391   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.264   0.572   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.070   0.744   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.483   0.029   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.931  -0.584   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.406   1.497   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.102  -1.391   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.887  -1.646   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.059  -2.453   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.446  -3.005   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.661  -2.750   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.489  -1.943   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.993  -1.943   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.164  -2.750   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.949  -3.005   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.562  -2.453   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.390  -1.646   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.227   1.584   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.921   2.165   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1      -2.257   2.918   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1      -3.562   2.337   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1      -3.077   3.005   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1      -1.155   2.330   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1      -0.440   1.917   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    7   10                                            
CONECT    5    1   15   18                                            
CONECT    6    2                                                      
CONECT    7    4    8   14                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    4   13                                            
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   10                                                 
CONECT   14    7   26   30                                            
CONECT   15    5   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17    5   20                                            
CONECT   19   16   31   32                                            
CONECT   20   18   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   14   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   14                                                 
CONECT   31   19   34                                                 
CONECT   32   19   33   36                                            
CONECT   33   32                                                      
CONECT   34   31   35                                                 
CONECT   35   34                                                      
CONECT   36   32   37                                                 
CONECT   37   36                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0JJ1N
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.847  -0.843   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.847  -1.668   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.132  -2.081   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.418  -1.668   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.418  -0.843   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.132  -0.431   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.703  -0.431   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.011  -0.843   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.225  -1.640   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       1.049  -1.683   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.344  -0.913   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.703  -0.394   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       2.141  -0.700   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.703   0.431   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.418   0.843   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.132   0.431   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.847   0.843   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.847   1.668   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.132   2.081   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.418   1.668   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       3.561   2.081   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       3.561   0.431   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       4.276   0.843   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.561  -0.431   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.561  -2.081   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.276  -0.843   0.000  1.00  0.00           C  
CONECT    1    2    6   24                                            
CONECT    2    1    3   25                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11    8   14                                            
CONECT   13   11                                                      
CONECT   14   12   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18                                                      
CONECT   22   17   23                                                 
CONECT   23   22                                                      
CONECT   24    1   26                                                 
CONECT   25    2                                                      
CONECT   26   24                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0JJ8K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.874   0.321   0.000  1.00  0.00           N  
HETATM    2  N   UNL     1      -1.874  -0.504   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.160  -0.916   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.445  -0.504   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.445   0.321   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.160   0.734   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.168   0.873   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.168   1.627   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.988   1.541   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.160  -1.741   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.445  -2.154   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.269  -1.741   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.269  -0.916   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.540   2.154   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.975   0.702   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.230  -0.083   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.037  -0.254   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.589   0.359   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.334   1.143   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.527   1.315   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1       1.272   2.099   0.000  1.00  0.00          Cl  
HETATM   22 CL   UNL     1       2.292  -1.039   0.000  1.00  0.00          Cl  
HETATM   23  O   UNL     1      -1.874  -2.154   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.589  -1.741   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   10                                            
CONECT    4    3    5   13                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1    9                                            
CONECT    7    5    8   15                                            
CONECT    8    7    9                                                 
CONECT    9    8    6   14                                            
CONECT   10    3   11   23                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    4                                                 
CONECT   14    9                                                      
CONECT   15    7   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
CONECT   22   17                                                      
CONECT   23   10   24                                                 
CONECT   24   23                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0JK2N
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.004  -0.206   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.719   0.206   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.433  -0.206   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       2.148   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.710   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.710   1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.425   1.444   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.139   1.031   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.139   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.425  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.853  -0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.853  -1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.139  -1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.425  -1.031   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.568   0.206   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       0.719   1.031   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       2.862  -0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.577   0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.577   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.862   1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.148   1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.034  -1.013   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       3.854  -1.099   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1       4.190  -0.346   0.000  1.00  0.00           N  
HETATM   25  H   UNL     1       4.997  -0.174   0.000  1.00  0.00           H  
HETATM   26  C   UNL     1      -4.282  -0.206   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -4.997  -0.619   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -4.695   0.508   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -3.870  -0.921   0.000  1.00  0.00           F  
CONECT    1    2    5                                                 
CONECT    2    1    3   16                                            
CONECT    3    2    4                                                 
CONECT    4    3   17   21                                            
CONECT    5    1    6   10                                            
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11   26                                                 
CONECT   16    2                                                      
CONECT   17    4   18   22                                            
CONECT   18   17   19   24                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20    4                                                 
CONECT   22   17   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   18   25                                            
CONECT   25   24                                                      
CONECT   26   15   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0JK3V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.501   1.171   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.501   0.345   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.787  -0.067   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.072   0.345   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.072   1.171   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.787   1.583   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.358  -0.067   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.272  -0.887   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.465  -1.059   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.052  -0.345   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.604   0.269   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -4.216   1.583   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1      -1.885  -1.440   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.669  -1.185   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.282  -1.737   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.111  -2.544   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.326  -2.799   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.713  -2.247   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -0.928  -2.502   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1      -0.432   1.075   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1      -3.724  -3.096   0.000  1.00  0.00          Cl  
HETATM   22  C   UNL     1       0.768  -0.258   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.321  -0.871   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       2.074  -0.536   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       1.988   0.285   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1       1.181   0.456   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.789  -0.948   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.845   1.790   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1      -0.509   2.544   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -1.123   3.096   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -1.837   2.683   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1      -1.665   1.876   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.376  -1.663   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.201  -1.663   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.501  -0.534   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1       3.089   0.180   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1       4.216  -0.121   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1       3.914  -1.248   0.000  1.00  0.00           F  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   22                                            
CONECT   11   10    7   20                                            
CONECT   12    1                                                      
CONECT   13    8   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   13   19                                            
CONECT   19   18                                                      
CONECT   20   11   28                                                 
CONECT   21   16                                                      
CONECT   22   10   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   22                                                 
CONECT   27   24   33   34   35                                       
CONECT   28   20   29   32                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   28                                                 
CONECT   33   27   34                                                 
CONECT   34   33   27                                                 
CONECT   35   27   36   37   38                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0JL8G
  -OEChem-09301911262D

 53 57  0     0  0  0  0  0  0999 V2000
    6.5620    1.6222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2263    3.1108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9192   -0.0727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -1.7675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600   -2.5722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8726    2.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5835    1.4159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2048    3.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9156    2.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2298    0.8779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2083    1.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5870   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8762    0.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5655   -0.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -3.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4196    2.2806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2552    3.0606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0571    1.0883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8147    0.8407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7312    3.6446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9735    3.8922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3687    2.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5331    1.6723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8122    3.5722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4009    1.6734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4828    0.4676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9796   -1.0722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4690   -3.9663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.1922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.2378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    1.5354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    0.8452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.2622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    2.4278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.0478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    2.4278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 14  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 39  1  0  0  0  0
  3 14  1  0  0  0  0
  3 16  2  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 22  2  0  0  0  0
  6 23  2  0  0  0  0
  6 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 27  2  0  0  0  0
  8 27  1  0  0  0  0
  8 29  1  0  0  0  0
  8 47  1  0  0  0  0
  9 26  1  0  0  0  0
  9 28  2  0  0  0  0
 10 12  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 13  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 15  2  0  0  0  0
 15 18  1  0  0  0  0
 15 40  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 19  2  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 22  1  0  0  0  0
 20 24  2  0  0  0  0
 21 23  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 25  1  0  0  0  0
 24 45  1  0  0  0  0
 25 26  2  0  0  0  0
 26 46  1  0  0  0  0
 27 28  1  0  0  0  0
 28 50  1  0  0  0  0
 29 30  1  0  0  0  0
 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
 30 51  1  0  0  0  0
 30 52  1  0  0  0  0
 30 53  1  0  0  0  0
M  END

$$$$
D0JN0A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.300   0.000   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.888  -0.714   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.062  -0.714   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.650   0.000   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.062   0.714   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.888   0.714   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.825   0.000   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.412  -0.714   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.412  -0.714   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.825  -1.429   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.650  -1.429   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.062  -0.714   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.650   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.825   0.000   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.888  -0.714   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.300   0.000   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       3.300  -1.429   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       2.888   0.714   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.412   0.714   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.412   0.714   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.825   1.429   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.412   2.143   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.412   2.143   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.825   1.429   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.650   1.429   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.063   2.143   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       0.412  -2.143   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   19                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11   27                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16                                                      
CONECT   19    7   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19   25                                            
CONECT   25   24   26                                                 
CONECT   26   25                                                      
CONECT   27   10                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0JN5O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.705   0.158   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.705  -0.667   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.010  -1.079   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.724  -0.667   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.724   0.158   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.010   0.571   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.439  -1.079   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.439  -1.904   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.153  -2.317   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.868  -1.904   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.868  -1.079   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.153  -0.667   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       3.582  -2.317   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.419   0.571   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.506   1.391   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.312   1.563   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.725   0.848   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.173   0.235   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.648   2.317   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.345  -0.572   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.170  -0.572   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.582  -1.286   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1      -3.582   0.143   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.419  -1.079   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.348  -1.285   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       0.367  -1.698   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       0.367   1.190   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       1.081   0.777   0.000  1.00  0.00           C  
CONECT    1    2    6   14                                            
CONECT    2    1    3   24                                            
CONECT    3    2    4   25                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   27                                            
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10                                                      
CONECT   14    1   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   14   20                                            
CONECT   19   16                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24    2                                                      
CONECT   25    3   26                                                 
CONECT   26   25                                                      
CONECT   27    6   28                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END

$$$$

$$$$

$$$$
D0JN7L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.357  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.357  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.357  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.072  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.072  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.357  -0.412   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.786  -0.412   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.786   0.412   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.072   0.825   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.357   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.357   0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.357   1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.357   1.650   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.072   2.062   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.786   1.650   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.786   0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.072   0.412   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       2.501   0.825   0.000  1.00  0.00           O  
HETATM   19 CL   UNL     1      -1.072  -2.062   0.000  1.00  0.00          Cl  
HETATM   20  O   UNL     1      -2.501   2.062   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   19                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   10                                            
CONECT    7    5    8                                                 
CONECT    8    7    9   18                                            
CONECT    9    8   10                                                 
CONECT   10    9    6   11   12                                       
CONECT   11   10   13   17                                            
CONECT   12   10                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   11                                                 
CONECT   18    8                                                      
CONECT   19    2                                                      
CONECT   20   15                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0JO2A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.821   0.627   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.409  -0.087   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.610   0.122   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.817  -0.087   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1      -1.230   0.627   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1      -2.028   0.418   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.440   1.133   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.643   1.346   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1      -3.618   0.414   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1      -3.234  -0.087   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1      -1.198  -0.593   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.020   0.126   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.621  -0.393   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.313   0.056   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.099   0.853   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.275   0.896   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       2.083  -0.239   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.212  -1.051   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.979  -1.346   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.618  -0.829   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.489  -0.017   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.722   0.278   0.000  1.00  0.00           C  
CONECT    1    6    9    2                                            
CONECT    2   10    1    3                                            
CONECT    3   11    4    2                                            
CONECT    4    5   12    3                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7                                                      
CONECT    9    1                                                      
CONECT   10    2                                                      
CONECT   11    3                                                      
CONECT   12    4   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   17   13   15                                            
CONECT   15   14   16                                                 
CONECT   16   15   12                                                 
CONECT   17   18   22   14                                            
CONECT   18   19   17                                                 
CONECT   19   20   18                                                 
CONECT   20   21   19                                                 
CONECT   21   22   20                                                 
CONECT   22   21   17                                                 
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0JO6Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.878  -3.968   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.465  -4.682   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.640  -4.682   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.228  -3.968   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.640  -3.253   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.465  -3.253   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.228  -5.397   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.640  -6.111   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.228  -2.539   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.878  -2.539   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.465  -1.824   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.878  -1.110   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.465  -0.395   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.703  -1.110   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.640  -0.395   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.385   0.389   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1      -1.053   0.874   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.720   0.389   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.053   1.699   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.338   2.112   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.376   1.699   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.091   2.112   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.091   2.937   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.376   3.349   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.338   2.937   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.805   3.349   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       1.805   4.174   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       2.473   4.659   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.218   5.444   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.393   5.444   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       1.138   4.659   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       2.703   6.111   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1       0.597  -3.968   0.000  1.00  0.00           F  
HETATM   34  C   UNL     1      -0.228  -1.110   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1       0.487  -0.697   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1       0.185  -1.824   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -0.942  -1.522   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   33                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    3    8                                                 
CONECT    8    7                                                      
CONECT    9    5                                                      
CONECT   10    6   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   15   18                                            
CONECT   14   12                                                      
CONECT   15   13   16   34                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   13                                                 
CONECT   19   17   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   27                                                 
CONECT   32   29                                                      
CONECT   33    4                                                      
CONECT   34   15   35   36   37                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0JP6A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.734  -0.465   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.734  -1.290   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.019  -1.703   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.305  -1.290   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.305  -0.465   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.019  -0.053   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -3.019   0.772   0.000  1.00  0.00           F  
HETATM    8  F   UNL     1      -4.448  -1.703   0.000  1.00  0.00           F  
HETATM    9  F   UNL     1      -3.019  -2.528   0.000  1.00  0.00           F  
HETATM   10  C   UNL     1      -1.591  -0.053   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.876  -0.465   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.162  -0.053   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.553  -0.465   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.267  -0.053   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.982  -0.465   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.696  -0.053   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.696   0.772   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.982   1.185   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.267   0.772   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       3.481  -0.308   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1       3.966   0.360   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       3.481   1.027   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       0.553  -1.290   0.000  1.00  0.00           O  
HETATM   24  N   UNL     1      -0.876  -1.290   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       3.734   1.813   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1       3.019   2.226   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1       4.146   2.528   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       4.448   1.401   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   10                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    2                                                      
CONECT    9    3                                                      
CONECT   10    5   11                                                 
CONECT   11   10   12   24                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   23                                            
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   16   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17   25                                            
CONECT   23   13                                                      
CONECT   24   11                                                      
CONECT   25   22   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0JQ0Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.421  -0.206   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.421  -1.031   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.706  -1.444   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.992  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.992  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.706   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.278  -1.444   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.437  -1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.437  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.278   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.151   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.866  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.580   0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.580   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.866   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.151   1.031   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.365  -0.049   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       3.850   0.619   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       3.365   1.286   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1      -1.706   1.031   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.421   1.444   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.135   1.031   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.850   1.444   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.135   0.206   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.719   0.448   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   20                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   13   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20    6   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24   25                                       
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25   22                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0JQ9Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.786  -0.206   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM    3  S   UNL     1      -0.357  -0.206   0.000  1.00  0.00           S  
HETATM    4  S   UNL     1       0.357   0.206   0.000  1.00  0.00           S  
HETATM    5  C   UNL     1       1.072  -0.206   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       1.786   0.206   0.000  1.00  0.00           N  
HETATM    7  S   UNL     1      -1.072   1.031   0.000  1.00  0.00           S  
HETATM    8  S   UNL     1       1.072  -1.031   0.000  1.00  0.00           S  
HETATM    9  C   UNL     1       2.540  -0.129   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.092   0.484   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.679   1.198   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.872   1.027   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.540   0.129   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.092  -0.484   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.679  -1.198   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.872  -1.027   0.000  1.00  0.00           C  
CONECT    1    2   13   16                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    9   12                                            
CONECT    7    2                                                      
CONECT    8    5                                                      
CONECT    9    6   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    6                                                 
CONECT   13    1   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15    1                                                 
MASTER        0    0    0    0    0    0    0    0   16    0   16    0
END
M  END

$$$$
D0JR0F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.418   2.352   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.418   1.527   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.133   1.114   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.847   1.527   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.847   2.352   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.133   2.764   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.133   0.289   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.418  -0.123   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.418  -0.948   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.133  -1.361   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.847  -0.948   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.847  -0.123   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.704   1.114   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.011   1.527   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.725   1.114   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.011   2.352   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.479   1.450   0.000  1.00  0.00           C  
HETATM   18  S   UNL     1      -2.031   0.837   0.000  1.00  0.00           S  
HETATM   19  C   UNL     1      -1.618   0.122   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.811   0.294   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.954  -0.631   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.133   3.589   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1      -2.761  -0.803   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1      -2.847  -1.623   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.094  -1.959   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.542  -1.346   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.418  -1.773   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.418  -2.598   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.133  -3.011   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       2.847  -2.598   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       2.847  -1.773   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.924  -2.764   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1      -1.099  -2.764   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -1.924  -3.589   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -2.749  -2.764   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   22                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   27   31                                       
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    2   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   17   20                                            
CONECT   16   14                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   15                                                 
CONECT   21   19   23   26                                            
CONECT   22    6                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   32                                            
CONECT   26   25   21                                                 
CONECT   27   10   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   10                                                 
CONECT   32   25   33   34   35                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END

$$$$

$$$$

$$$$
D0JR0P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429   1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.858   1.238   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.715   0.000   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.858  -0.412   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.429  -0.412   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.143   0.000   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.143   0.825   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.429   1.238   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.715   0.825   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.000   1.238   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1       2.858   1.238   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       1.429  -1.238   0.000  1.00  0.00           O  
CONECT    1    2    6   10                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9                                                 
CONECT    9    8   11   15                                            
CONECT   10    1                                                      
CONECT   11    9   12   18                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14    9   16                                            
CONECT   16   15                                                      
CONECT   17   13                                                      
CONECT   18   11                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D0JR2C
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.808  -0.587   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.983  -0.587   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.570   0.127   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.983   0.842   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.808   0.842   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.220   0.127   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.431  -1.200   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.677  -0.865   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.763  -0.044   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.344  -2.021   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.537  -2.192   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.125  -1.478   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.180   0.539   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.579   0.214   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.239   0.709   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.677  -0.605   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.997   0.384   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.658   0.879   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.560   1.698   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.801   2.022   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.141   1.528   0.000  1.00  0.00           C  
HETATM   22  H   UNL     1       1.337  -0.110   0.000  1.00  0.00           H  
HETATM   23  O   UNL     1       3.220   2.192   0.000  1.00  0.00           O  
HETATM   24  F   UNL     1      -1.399   1.425   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5   24                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8   10                                            
CONECT    8    7    9   12                                            
CONECT    9    8    3   13                                            
CONECT   10    7   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    8                                                 
CONECT   13    9   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   17   21   22                                       
CONECT   16   14                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   15                                                 
CONECT   22   15                                                      
CONECT   23   19                                                      
CONECT   24    4                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0JR2Q
  -OEChem-09301911292D

 33 34  0     0  0  0  0  0  0999 V2000
    4.2690    2.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244   -2.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230   -3.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    2.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    5.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    4.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -4.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 13  1  0  0  0  0
  2 10  1  0  0  0  0
  2 32  1  0  0  0  0
  3 12  2  0  0  0  0
  4 21  1  0  0  0  0
  4 33  1  0  0  0  0
  5 21  2  0  0  0  0
  6 12  1  0  0  0  0
  6 15  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  2  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 22  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 23  1  0  0  0  0
 15 21  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 18  1  0  0  0  0
 16 27  1  0  0  0  0
 17 19  2  0  0  0  0
 17 28  1  0  0  0  0
 18 20  2  0  0  0  0
 18 29  1  0  0  0  0
 19 20  1  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
M  END

$$$$
D0JR5G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.715   2.062   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.715   1.238   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.429   0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.143   1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.143   2.062   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.429   2.475   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.000   2.475   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.715   2.062   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.715   1.238   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       0.000   0.825   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.429   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.715  -0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.715  -1.238   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.429  -1.650   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.143  -1.238   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       2.143  -0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.143   1.238   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.858   0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.858   0.000   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.143  -0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.429   0.000   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.070  -0.158   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.555  -0.825   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.070  -1.492   0.000  1.00  0.00           N  
HETATM   26  O   UNL     1       1.429  -2.475   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1      -1.429   2.475   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       2.858  -1.650   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4   12                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9   27                                            
CONECT    9    8   10   11                                            
CONECT   10    9    2                                                 
CONECT   11    9   18   22                                            
CONECT   12    3   13   17                                            
CONECT   13   12   14   23                                            
CONECT   14   13   15   25                                            
CONECT   15   14   16   26                                            
CONECT   16   15   17   28                                            
CONECT   17   16   12                                                 
CONECT   18   11   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   11                                                 
CONECT   23   13   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   14                                                 
CONECT   26   15                                                      
CONECT   27    8                                                      
CONECT   28   16                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0JR7X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -4.255   3.455   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.255   2.630   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.541   2.217   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.826   2.630   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.826   3.455   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.541   3.867   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -3.369   1.410   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1      -2.549   1.324   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.213   2.078   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.970   2.217   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -4.970   1.392   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.388   2.078   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.976   1.363   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1      -0.976   2.792   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.151   2.792   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.262   2.078   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.087   2.078   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.499   2.792   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.087   3.507   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.262   3.507   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.151   4.221   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.670   1.494   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.495   1.494   0.000  1.00  0.00           N  
HETATM   24  O   UNL     1       1.354   0.732   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       2.907   0.780   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.495   0.066   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       2.907  -0.649   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       3.732  -0.649   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.145   0.066   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.732   0.780   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       4.145  -1.363   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       3.732  -2.078   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.145  -2.792   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       4.970  -2.792   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       5.382  -2.078   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.970  -1.363   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       5.382  -3.507   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       4.970  -4.221   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.382   0.678   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.557   0.678   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    4   12                                            
CONECT   10    2   11                                                 
CONECT   11   10   39   40                                            
CONECT   12    9   13   14                                            
CONECT   13   12                                                      
CONECT   14   12   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
CONECT   22   17   23   24                                            
CONECT   23   22   25                                                 
CONECT   24   22                                                      
CONECT   25   23   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   28   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   37                                            
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
CONECT   37   34   38                                                 
CONECT   38   37                                                      
CONECT   39   11   40                                                 
CONECT   40   39   11                                                 
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0JR9L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287  -1.650   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.572  -2.062   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.858  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858  -0.825   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.572  -0.412   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1      -2.143  -0.412   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.429  -0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.715  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.000  -0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.715  -0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.429  -0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.143  -0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.858  -0.825   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.572  -0.412   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       4.287  -0.825   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       2.858  -1.650   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.429   1.650   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.143   2.062   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.858   1.650   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.858   0.825   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   19   23                                            
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16                                                      
CONECT   18   15                                                      
CONECT   19    8   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22    8                                                 
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0JT0B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930  -0.262   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930  -1.087   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215  -1.499   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501  -1.087   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501  -0.262   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215   0.151   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.786   0.151   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.072  -0.262   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.357   0.151   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.357   0.976   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.072   1.389   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.786   0.976   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.357  -0.262   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.072   0.151   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       0.357  -1.087   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.786  -0.262   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.501   0.151   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.215  -0.262   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.930   0.151   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.930   0.976   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.215   1.389   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.501   0.976   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.644   1.389   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       5.359   0.976   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1       4.644   2.213   0.000  1.00  0.00           N  
HETATM   26  S   UNL     1      -4.644  -1.499   0.000  1.00  0.00           S  
HETATM   27  O   UNL     1      -5.057  -0.784   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1      -4.232  -2.213   0.000  1.00  0.00           O  
HETATM   29  N   UNL     1      -5.359  -1.911   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -3.215   0.976   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   26                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   30                                            
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    9   14   15                                            
CONECT   14   13   16                                                 
CONECT   15   13                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   20   24   25                                            
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26    2   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30    6                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0JT3F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.776   0.702   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.491   1.114   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.205   0.702   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.205  -0.123   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.491  -0.536   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.776  -0.123   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.920   1.114   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.920   1.939   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.062  -0.536   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.653  -0.123   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.367  -0.536   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.082  -0.123   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.796  -0.536   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.511  -0.123   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.511   0.702   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.796   1.114   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.082   0.702   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       0.653   0.702   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.920  -0.536   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.673  -0.200   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.225  -0.813   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.813  -1.528   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1      -3.006  -1.356   0.000  1.00  0.00           N  
HETATM   24 CL   UNL     1      -3.887   0.597   0.000  1.00  0.00          Cl  
HETATM   25  C   UNL     1      -2.422  -1.939   0.000  1.00  0.00           C  
HETATM   26 CL   UNL     1       4.225   1.114   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   19                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    9                                            
CONECT    7    3    8                                                 
CONECT    8    7                                                      
CONECT    9    6   10                                                 
CONECT   10    9   11   18                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   26                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   10                                                      
CONECT   19    4   20   23                                            
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   19   25                                            
CONECT   24   20                                                      
CONECT   25   23                                                      
CONECT   26   15                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0JT8B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.644   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.644  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.930  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.215  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.215   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.930   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.501   0.619   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.501   1.444   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.215   1.856   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.930   1.444   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.786   0.206   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.072   0.619   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.357   0.206   0.000  1.00  0.00           N  
HETATM   14  O   UNL     1      -1.072   1.444   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       0.357   0.619   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.072   0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.786   0.619   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.786   1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.072   1.856   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.357   1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.501   0.206   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.501  -0.619   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.215  -1.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.930  -0.619   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.930   0.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.215   0.619   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       3.215  -1.856   0.000  1.00  0.00           F  
HETATM   28 CL   UNL     1       4.644  -1.031   0.000  1.00  0.00          Cl  
HETATM   29  O   UNL     1      -3.930  -1.856   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   29                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   10                                            
CONECT    7    5    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    6                                                 
CONECT   11    7   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   15                                                 
CONECT   14   12                                                      
CONECT   15   13   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   17   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   27                                            
CONECT   24   23   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   23                                                      
CONECT   28   24                                                      
CONECT   29    3                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0JU1R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.332  -1.299   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.332  -2.124   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.618  -2.536   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.097  -2.124   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.097  -1.299   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.618  -0.886   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.117  -1.044   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.602  -1.711   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.117  -2.379   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.811  -0.886   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.565  -1.222   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.117  -0.609   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.704   0.106   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.897  -0.066   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.820  -2.006   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.627  -2.178   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.179  -1.565   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.924  -0.780   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.040   0.859   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.372  -0.259   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.820   0.354   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1      -3.179  -0.088   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.075   1.139   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.523   1.752   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.778   2.536   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1      -0.716   1.580   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.266   0.888   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.426   1.338   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.024   2.029   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.882   1.310   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.232   1.166   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       2.037   0.995   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    1    8   20                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    5   11   14                                            
CONECT   11   10   12   15                                            
CONECT   12   11   13   18                                            
CONECT   13   12   14   19                                            
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   12                                                 
CONECT   19   13                                                      
CONECT   20    7   21   22                                            
CONECT   21   20   23                                                 
CONECT   22   20                                                      
CONECT   23   21   24   30                                            
CONECT   24   23   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   31   27   29                                            
CONECT   29   28   26                                                 
CONECT   30   23                                                      
CONECT   31   32   28                                                 
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0JU4R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.802  -0.829   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.068  -0.451   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.625  -0.897   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.359  -0.519   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1      -0.029   0.373   0.000  1.00  0.00           O  
HETATM    6  N   UNL     1       2.096  -0.890   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1       2.676  -0.304   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.298   0.429   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.484   0.296   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.228  -1.704   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.590  -2.227   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.723  -3.041   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.494  -3.333   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.133  -2.811   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.000  -1.997   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.516  -0.416   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.591   1.201   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.898   0.877   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.391   1.399   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       3.450   2.223   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1       2.685   2.532   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.154   1.901   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.486   3.333   0.000  1.00  0.00           C  
HETATM   24  S   UNL     1      -1.603   0.404   0.000  1.00  0.00           S  
HETATM   25  C   UNL     1      -2.409   0.576   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.822  -0.139   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.270  -0.752   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.441  -1.559   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.226  -1.814   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.398  -2.621   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.784  -3.173   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.000  -2.918   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.828  -2.111   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.665   1.362   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1      -1.880   1.617   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1      -2.410   0.577   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -3.450   1.107   0.000  1.00  0.00           F  
CONECT    1    2   16                                                 
CONECT    2    1    3    5                                            
CONECT    3    2    4                                                 
CONECT    4    3    6    9                                            
CONECT    5    2                                                      
CONECT    6    4    7   10                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   17                                            
CONECT    9    8    4   18                                            
CONECT   10    6   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    1   24   27                                            
CONECT   17    8   19   22                                            
CONECT   18    9                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   17                                                 
CONECT   23   21                                                      
CONECT   24   16   25                                                 
CONECT   25   24   26   34                                            
CONECT   26   25   27                                                 
CONECT   27   26   16   28                                            
CONECT   28   27   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34   25   35   36   37                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0JU4Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.847   2.888   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.847   2.063   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.133   1.651   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.582   2.063   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.582   2.888   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.133   3.301   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -0.133   4.126   0.000  1.00  0.00          Cl  
HETATM    8 CL   UNL     1      -1.562   3.301   0.000  1.00  0.00          Cl  
HETATM    9  N   UNL     1      -0.133   0.826   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.800   0.341   0.000  1.00  0.00           C  
HETATM   11  S   UNL     1      -0.545  -0.444   0.000  1.00  0.00           S  
HETATM   12  C   UNL     1       0.280  -0.444   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.534   0.341   0.000  1.00  0.00           C  
HETATM   14  S   UNL     1      -1.585   0.596   0.000  1.00  0.00           S  
HETATM   15  C   UNL     1       0.764  -1.111   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.429  -1.865   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       1.585  -1.025   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.392  -1.951   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.727  -2.705   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.242  -3.372   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.578  -3.286   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.914  -2.532   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       1.319   0.596   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.578  -4.126   0.000  1.00  0.00           C  
CONECT    1    2    6    8                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    1                                                      
CONECT    9    3   10   13                                            
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12    9   23                                            
CONECT   14   10                                                      
CONECT   15   12   16   17                                            
CONECT   16   15   18   22                                            
CONECT   17   15                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   16                                                 
CONECT   23   13                                                      
CONECT   24   20                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0JU7T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858  -1.872   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858  -2.697   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.143  -3.110   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.429  -2.697   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.429  -1.872   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.143  -1.460   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.715  -3.110   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.000  -2.697   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.715  -3.110   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.429  -2.697   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.429  -1.872   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.715  -1.460   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.000  -1.872   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.143  -0.635   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.429  -0.222   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.429   0.603   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.143   1.015   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.858   0.603   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.858  -0.222   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.715   1.015   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.143   1.840   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.476   2.325   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.731   3.110   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.556   3.110   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.811   2.325   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.143  -1.460   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       2.143  -0.635   0.000  1.00  0.00           O  
HETATM   28  N   UNL     1       2.858  -1.872   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   14                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   26                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    6   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   16                                                      
CONECT   21   17   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
CONECT   26   11   27   28                                            
CONECT   27   26                                                      
CONECT   28   26                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0JU8E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.724  -1.830   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.724  -2.655   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.009  -3.067   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.705  -2.655   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.705  -1.830   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.009  -1.417   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.509  -1.575   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.993  -2.242   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.509  -2.910   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       1.420  -3.067   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       2.134  -2.655   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.848  -3.067   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       3.563  -2.655   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       3.563  -1.830   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       2.848  -1.417   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.134  -1.830   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.848  -0.592   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       3.563  -0.180   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.763  -0.790   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.570  -0.619   0.000  1.00  0.00           N  
HETATM   21  O   UNL     1      -1.211  -0.177   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.825   0.166   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.340   0.833   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.825   1.501   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.610   1.246   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1      -3.610   0.421   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.277   1.731   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.277  -0.592   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.570   2.285   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1      -1.789   2.031   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -2.316   3.067   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -3.352   2.539   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8   19                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    4   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   11                                                 
CONECT   17   15   18                                                 
CONECT   18   17   28                                                 
CONECT   19    7   20   21                                            
CONECT   20   19   22                                                 
CONECT   21   19                                                      
CONECT   22   20   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   29   23   25                                            
CONECT   25   24   26   27                                            
CONECT   26   25   22                                                 
CONECT   27   25                                                      
CONECT   28   18                                                      
CONECT   29   30   31   32   24                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0JW7T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.565   1.500   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.565   0.674   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.850   0.262   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.136   0.674   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.136   1.500   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.850   1.912   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.422   0.262   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.335  -0.558   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.528  -0.730   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.116  -0.015   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.668   0.598   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.948  -1.111   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.733  -0.856   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.346  -1.408   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.175  -2.215   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.390  -2.470   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.777  -1.917   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.705   0.071   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.190  -0.597   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       1.040   0.824   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.861   0.911   0.000  1.00  0.00           C  
HETATM   22 CL   UNL     1      -4.279   1.912   0.000  1.00  0.00          Cl  
HETATM   23 CL   UNL     1      -0.992  -2.172   0.000  1.00  0.00          Cl  
HETATM   24  C   UNL     1      -0.496   1.405   0.000  1.00  0.00           C  
HETATM   25 CL   UNL     1      -3.788  -2.767   0.000  1.00  0.00          Cl  
HETATM   26  C   UNL     1       2.273   1.625   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.070   1.839   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.483   2.553   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.279   2.767   0.000  1.00  0.00           C  
CONECT    1    2    6   22                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   18                                            
CONECT   11   10    7   24                                            
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   25                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   23                                            
CONECT   18   10   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   21                                                 
CONECT   21   20   26                                                 
CONECT   22    1                                                      
CONECT   23   17                                                      
CONECT   24   11                                                      
CONECT   25   15                                                      
CONECT   26   21   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0JX4I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.541   0.412   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.827   0.825   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.112   0.412   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.602   0.825   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       1.317   0.412   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.112  -0.412   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.256   0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.317  -0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.031  -0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.746  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.746   0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.031   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.256   1.650   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.970   2.062   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.684   1.650   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.684   0.825   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.970   0.412   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.970  -0.412   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.399   2.062   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1      -5.114   1.650   0.000  1.00  0.00           F  
HETATM   21  F   UNL     1      -4.399   2.888   0.000  1.00  0.00           F  
HETATM   22  F   UNL     1      -5.114   2.475   0.000  1.00  0.00           F  
HETATM   23  C   UNL     1      -3.684  -0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.684  -1.650   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.970  -2.062   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.256  -1.650   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.256  -0.825   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.970  -2.888   0.000  1.00  0.00           C  
HETATM   29  H   UNL     1       3.460   0.825   0.000  1.00  0.00           H  
HETATM   30  C   UNL     1       2.970  -1.519   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       3.684  -1.932   0.000  1.00  0.00           N  
HETATM   32  S   UNL     1       4.399  -1.519   0.000  1.00  0.00           S  
HETATM   33  O   UNL     1       3.986  -0.805   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1       4.811  -2.234   0.000  1.00  0.00           O  
HETATM   35  N   UNL     1       5.114  -1.107   0.000  1.00  0.00           N  
CONECT    1    2    7                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4    8   12                                            
CONECT    6    3                                                      
CONECT    7    1   13   17                                            
CONECT    8    5    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   30                                            
CONECT   11   10   12   29                                            
CONECT   12   11    5                                                 
CONECT   13    7   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16    7   18                                            
CONECT   18   17   23   27                                            
CONECT   19   15   20   21   22                                       
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   19                                                      
CONECT   23   18   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   18                                                 
CONECT   28   25                                                      
CONECT   29   11                                                      
CONECT   30   10   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   34   35                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0JY1I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.964   3.506   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.964   2.681   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.678   2.269   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.393   2.681   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.393   3.506   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.678   3.919   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.678   4.744   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.678   1.444   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1       0.249   3.919   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.465   3.506   0.000  1.00  0.00           C  
HETATM   11  S   UNL     1      -1.180   3.919   0.000  1.00  0.00           S  
HETATM   12  C   UNL     1      -1.793   3.367   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.457   2.613   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.637   2.699   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.870   1.899   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.695   1.899   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.107   1.184   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.695   0.470   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.870   0.470   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.457   1.184   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.393   1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.393   0.206   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       3.107   1.444   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       1.678  -0.206   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.678  -1.031   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.393  -1.444   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.107  -1.031   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.107  -0.206   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.393  -2.269   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.678  -2.681   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.678  -3.506   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       0.964  -3.919   0.000  1.00  0.00           N  
HETATM   33  O   UNL     1       2.393  -3.919   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1       0.964  -4.744   0.000  1.00  0.00           O  
CONECT    1    2    6    9                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    3   21                                                 
CONECT    9    1   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13   10                                                 
CONECT   15   13   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21    8   22   23                                            
CONECT   22   21   24   28                                            
CONECT   23   21                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   22                                                 
CONECT   29   26   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   33                                            
CONECT   32   31   34                                                 
CONECT   33   31                                                      
CONECT   34   32                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0JY2I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.263   0.373   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.263  -0.452   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.478  -0.707   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.994  -0.040   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.478   0.628   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.169  -0.040   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.931  -0.937   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.244  -0.754   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.069  -0.754   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.481  -0.040   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.069   0.675   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.244   0.675   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.481  -1.469   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.306  -1.469   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.719  -0.754   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.306  -0.040   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.684  -0.602   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.352  -1.087   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.266  -1.907   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.512  -2.243   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.844  -1.758   0.000  1.00  0.00           C  
HETATM   22 CL   UNL     1      -5.105  -0.751   0.000  1.00  0.00          Cl  
HETATM   23 CL   UNL     1      -3.426  -3.063   0.000  1.00  0.00          Cl  
HETATM   24  O   UNL     1       3.544  -0.754   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       3.956  -1.469   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.224   1.412   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.427   1.626   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.157   1.042   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.954   1.256   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.167   2.053   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.584   2.636   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.213   2.423   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.792   2.011   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.964   2.266   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1       2.178   3.063   0.000  1.00  0.00           O  
HETATM   36  N   UNL     1       2.547   1.683   0.000  1.00  0.00           N  
HETATM   37  C   UNL     1       3.344   1.897   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       3.928   1.313   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       4.693   1.504   0.000  1.00  0.00           C  
HETATM   40  O   UNL     1       5.105   2.219   0.000  1.00  0.00           O  
HETATM   41  O   UNL     1       5.105   0.790   0.000  1.00  0.00           O  
CONECT    1    2    5                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    1   26                                            
CONECT    6    4    8   12                                            
CONECT    7    2   17   21                                            
CONECT    8    6    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11   16                                            
CONECT   11   10   12                                                 
CONECT   12   11    6                                                 
CONECT   13    9   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   24                                            
CONECT   16   15   10                                                 
CONECT   17    7   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20    7                                                 
CONECT   22   18                                                      
CONECT   23   20                                                      
CONECT   24   15   25                                                 
CONECT   25   24                                                      
CONECT   26    5   27   33                                            
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   34                                            
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   26                                                      
CONECT   34   30   35   36                                            
CONECT   35   34                                                      
CONECT   36   34   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40   41                                            
CONECT   40   39                                                      
CONECT   41   39                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D0JY4C
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.838   0.668   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.625  -0.129   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.801  -0.172   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.505   0.598   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.146   1.118   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1      -1.146   1.943   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1       0.209   1.011   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.924   0.598   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.638   1.011   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.638   1.836   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.924   2.248   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.209   1.836   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       2.353   2.248   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       3.067   1.836   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.782   2.248   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       4.496   1.836   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       4.496   1.011   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       5.281   0.756   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       5.766   1.423   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       5.281   2.091   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.635   0.882   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.219   0.299   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.015   0.512   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.599  -0.071   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.385  -0.868   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.588  -1.082   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.005  -0.498   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.969  -1.452   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.766  -1.665   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.182  -2.248   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       2.353   0.598   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       3.065   1.010   0.000  1.00  0.00           C  
CONECT    1    2    5   21                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    1    6                                            
CONECT    6    5                                                      
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9   31    8   10                                            
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   16                                                 
CONECT   21    1   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   25   29   30                                            
CONECT   29   28   30                                                 
CONECT   30   29   28                                                 
CONECT   31   32    9                                                 
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0JY9S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.644   0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.644   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.930  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.215   0.000   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.215   0.825   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.930   1.238   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.501  -0.412   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.359   1.238   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.501  -1.237   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.786  -1.650   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.072  -1.237   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.072  -0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.786   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.357  -1.650   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.357  -1.237   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.072  -1.650   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.786  -1.237   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       0.357  -0.412   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.501  -1.650   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.215  -1.237   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.215  -0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.501   0.000   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.786  -0.412   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       3.930  -1.650   0.000  1.00  0.00           O  
HETATM   25  F   UNL     1      -0.357   0.000   0.000  1.00  0.00           F  
HETATM   26  C   UNL     1       4.644  -1.237   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       5.359  -1.650   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       6.073  -1.237   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       6.787  -1.650   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       6.073  -0.412   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -5.359  -0.412   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -6.073   0.000   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.787  -0.412   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.501   0.825   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1       3.325   0.825   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1       2.501   1.650   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1       1.676   0.825   0.000  1.00  0.00           F  
CONECT    1    2    6    8                                            
CONECT    2    1    3   31                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    9   13                                            
CONECT    8    1                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13   25                                            
CONECT   13   12    7                                                 
CONECT   14   11   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   19   23                                            
CONECT   18   15                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   34   21   23                                            
CONECT   23   22   17                                                 
CONECT   24   20   26                                                 
CONECT   25   12                                                      
CONECT   26   24   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31    2   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32                                                      
CONECT   34   35   36   37   22                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0JZ2B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.609   2.512   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.406   2.299   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.620   1.502   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.036   0.918   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.239   1.132   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.026   1.929   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -3.396   3.309   0.000  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -4.250   0.121   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.656   0.548   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.785  -0.266   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.050  -0.641   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.467  -0.058   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.841   0.678   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.467   1.413   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.916   2.105   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1      -0.643   1.456   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.921  -1.456   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.562  -1.975   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.433  -2.790   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.663  -3.085   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.022  -2.566   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.151  -1.751   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.074  -3.309   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.510  -1.232   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.132  -0.713   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.773  -0.194   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.543  -0.489   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.184   0.030   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.055   0.845   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.285   1.140   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.644   0.621   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       2.696   1.364   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       3.466   1.068   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.108   1.587   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1       3.978   2.402   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1       3.208   2.698   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       2.567   2.179   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       4.620   2.921   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    4                                                      
CONECT    9    5   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   17                                            
CONECT   12   11   13                                                 
CONECT   13   12    9   14                                            
CONECT   14   13   15   16                                            
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17   11   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17   24                                            
CONECT   23   19                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   29   33   37                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36   38                                            
CONECT   36   35   37                                                 
CONECT   37   36   32                                                 
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0JZ4W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.846  -0.778   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.633  -1.575   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.836  -1.789   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.252  -1.205   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.466  -0.408   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.263  -0.195   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.883   0.175   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.096   0.972   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.893   1.185   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.476   0.602   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.149  -2.024   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.445  -2.454   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.670  -2.171   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.408  -1.389   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.856  -0.696   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.677  -0.614   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.124  -2.790   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.685  -2.626   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.947  -1.844   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.401  -1.225   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.426   0.008   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.009   0.591   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.212   0.805   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.426   1.602   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.223   1.388   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.639   1.972   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.075   1.559   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.747   2.790   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       0.872   1.773   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.455   1.189   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.252   1.403   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.836   0.819   0.000  1.00  0.00           C  
HETATM   33  S   UNL     1       2.622   0.023   0.000  1.00  0.00           S  
HETATM   34  N   UNL     1       1.825  -0.191   0.000  1.00  0.00           N  
HETATM   35  O   UNL     1       3.419  -0.191   0.000  1.00  0.00           O  
HETATM   36  O   UNL     1       2.836  -0.774   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1       1.756  -1.680   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1       2.382  -2.217   0.000  1.00  0.00           O  
HETATM   39 CL   UNL     1      -3.106   1.982   0.000  1.00  0.00          Cl  
HETATM   40  C   UNL     1       3.633   1.033   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       3.846   1.830   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    5   11   16    3                                       
CONECT    5    6    7    4                                            
CONECT    6    5    1   10                                            
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   39                                            
CONECT   10    9    6                                                 
CONECT   11    4   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15   20                                            
CONECT   15   14   16   21                                            
CONECT   16   15    4                                                 
CONECT   17   13   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   37                                            
CONECT   20   19   14                                                 
CONECT   21   15   22                                                 
CONECT   22   21   25   23                                            
CONECT   23   24   22                                                 
CONECT   24   23   25                                                 
CONECT   25   22   26   24                                            
CONECT   26   25   27   28                                            
CONECT   27   26   29                                                 
CONECT   28   26                                                      
CONECT   29   27   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   40                                            
CONECT   33   32   34   35   36                                       
CONECT   34   33   37                                                 
CONECT   35   33                                                      
CONECT   36   33                                                      
CONECT   37   19   34   38                                            
CONECT   38   37                                                      
CONECT   39    9                                                      
CONECT   40   32   41                                                 
CONECT   41   40                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D0JZ9L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.274  -0.973   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.274  -1.795   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.561  -2.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.150  -1.795   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.150  -0.973   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.561  -0.561   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -1.986  -0.561   0.000  1.00  0.00          Cl  
HETATM    8 CL   UNL     1      -1.986  -2.206   0.000  1.00  0.00          Cl  
HETATM    9  C   UNL     1       0.863  -0.561   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       1.574  -0.973   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.863   0.261   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.274   0.973   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.451   0.973   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.986   1.384   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.261   1.384   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.261   2.206   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1      -0.973   0.973   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    2                                                      
CONECT    9    5   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   12   13                                            
CONECT   12   11   13   14                                            
CONECT   13   12   11   15                                            
CONECT   14   12                                                      
CONECT   15   13   16   17                                            
CONECT   16   15                                                      
CONECT   17   15                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D0K0DV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.503   1.308   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.503   0.483   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.789   0.071   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.075   0.483   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.075   1.308   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.789   1.721   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.360   0.071   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.274  -0.750   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.467  -0.921   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.054  -0.207   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.606   0.406   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.887  -1.302   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.671  -1.047   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.285  -1.599   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.113  -2.406   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.328  -2.661   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.715  -2.109   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.766  -0.121   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.251  -0.788   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       1.102   0.633   0.000  1.00  0.00           O  
HETATM   21 CL   UNL     1      -3.726  -2.958   0.000  1.00  0.00          Cl  
HETATM   22 CL   UNL     1      -0.931  -2.364   0.000  1.00  0.00          Cl  
HETATM   23  N   UNL     1       2.076  -0.788   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.789   2.546   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.503   2.958   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       2.489  -1.503   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.314  -1.503   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.726  -0.788   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.314  -0.074   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.489  -0.074   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.076   2.958   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -0.647   2.958   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.361   2.546   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   24                                            
CONECT    7    8   11    4                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   18                                            
CONECT   11   10    7                                                 
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   21                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   22                                            
CONECT   18   10   19   20                                            
CONECT   19   18   23                                                 
CONECT   20   18                                                      
CONECT   21   15                                                      
CONECT   22   17                                                      
CONECT   23   19   26   30                                            
CONECT   24    6   25   31                                            
CONECT   25   24                                                      
CONECT   26   23   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   23                                                 
CONECT   31   24   33                                                 
CONECT   32   33                                                      
CONECT   33   31   32                                                 
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0K0GJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.147  -0.895   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.147  -1.717   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.435  -2.128   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.723  -1.717   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.723  -0.895   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.435  -0.483   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.011  -2.128   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.701  -1.717   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.701  -0.895   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.011  -0.483   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.413  -0.483   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.125  -0.895   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.837  -0.483   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.549  -0.895   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.261  -0.483   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       4.973  -0.895   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.859  -0.483   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       2.125  -1.717   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       3.549  -1.717   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       4.261   0.339   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1      -2.945   0.334   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.749   0.505   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.160  -0.207   0.000  1.00  0.00           C  
HETATM   24  S   UNL     1      -3.610  -0.818   0.000  1.00  0.00           S  
HETATM   25  C   UNL     1      -4.083   1.256   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.672   1.968   0.000  1.00  0.00           C  
HETATM   27  S   UNL     1      -4.222   2.579   0.000  1.00  0.00           S  
HETATM   28  C   UNL     1      -4.973   2.245   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.887   1.427   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.837  -2.128   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.837  -2.950   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.549  -3.361   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.261  -2.950   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.261  -2.128   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1      -4.476   3.361   0.000  1.00  0.00           O  
HETATM   36  O   UNL     1      -3.672   3.190   0.000  1.00  0.00           O  
CONECT    1    2    6   17                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13   18                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16   20                                            
CONECT   16   15                                                      
CONECT   17    1   21   24                                            
CONECT   18   12                                                      
CONECT   19   14   30   34                                            
CONECT   20   15                                                      
CONECT   21   17   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   17                                                 
CONECT   25   22   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   35   36                                       
CONECT   28   27   29                                                 
CONECT   29   28   25                                                 
CONECT   30   19   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   19                                                 
CONECT   35   27                                                      
CONECT   36   27                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0K0IO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.356  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.642   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.928  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.213   0.206   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.213   1.031   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.928   1.444   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.642   1.031   0.000  1.00  0.00           C  
HETATM    8 CL   UNL     1      -3.356   1.444   0.000  1.00  0.00          Cl  
HETATM    9  N   UNL     1      -0.499  -0.206   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.499  -1.031   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.216  -1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.930  -1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.930  -0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.216   0.206   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -4.071   0.206   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.785  -0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.785  -1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.071  -1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.356  -1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.500  -1.444   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       1.715  -1.286   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.200  -0.619   0.000  1.00  0.00           C  
HETATM   23  S   UNL     1       1.715   0.049   0.000  1.00  0.00           S  
HETATM   24  N   UNL     1       3.025  -0.619   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       3.437  -1.333   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.262  -1.333   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.675  -0.619   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.262   0.096   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.437   0.096   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       5.500  -0.619   0.000  1.00  0.00           O  
CONECT    1    2   15   19                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    2    8                                            
CONECT    8    7                                                      
CONECT    9    4   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   21                                            
CONECT   13   12   14   23                                            
CONECT   14   13    9                                                 
CONECT   15    1   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18    1                                                 
CONECT   20   17                                                      
CONECT   21   12   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   13                                                 
CONECT   24   22   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0K0IZ
  -OEChem-09301911102D

 49 52  0     0  0  0  0  0  0999 V2000
   12.2348    2.9278    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6100    3.2596    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0221    3.1832    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.5335    1.8475    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.5705    1.4392    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0531    0.7399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6995    0.2018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2596    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -2.5644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -1.7596    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2596    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6565    0.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9887    1.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3458   -0.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0102    1.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3673   -0.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6350    0.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210   -0.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.9549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9457    1.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3029    0.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9242    1.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2778    2.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2814    0.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5920    1.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8491    1.2036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5150    1.6862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7574    1.9338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3664   -0.9559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9597   -0.4236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9896    1.7720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3963    1.2397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8410   -0.8701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5986   -1.1177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.2847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.2847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1102   -0.5131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.6770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -1.3673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -3.2346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -3.2346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6029   -3.1537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6954   -0.1790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3 28  1  0  0  0  0
  4 28  1  0  0  0  0
  5 30  1  0  0  0  0
  6 18  2  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 18  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
  9 48  1  0  0  0  0
 10 20  2  0  0  0  0
 11 31  3  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 17  1  0  0  0  0
 12 32  1  0  0  0  0
 13 15  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 16  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 21  2  0  0  0  0
 17 24  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
 21 27  1  0  0  0  0
 21 28  1  0  0  0  0
 22 25  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 26  1  0  0  0  0
 24 29  2  0  0  0  0
 24 43  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 27 30  2  0  0  0  0
 29 30  1  0  0  0  0
 29 49  1  0  0  0  0
M  END

$$$$
D0K0PG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.281  -0.306   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.281  -1.131   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.566  -1.543   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.852  -1.131   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.852  -0.306   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.566   0.107   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.137   0.107   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.577  -0.306   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.292   0.107   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       1.292   0.932   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1       2.006  -0.306   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.721   0.107   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.435  -0.306   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.149   0.107   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.149   0.932   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.435   1.344   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.721   0.932   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       3.435  -1.131   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       3.435   2.169   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       2.721   2.582   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.995  -1.543   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.792  -1.330   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.589  -1.543   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.589  -2.368   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.792  -2.582   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.995  -2.368   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.205  -1.042   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.205  -1.867   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.863  -0.520   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.166  -0.764   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       4.149   2.582   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       4.863   2.169   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   21                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   12                                                 
CONECT   18   13                                                      
CONECT   19   16   20   31                                            
CONECT   20   19                                                      
CONECT   21    2   22   26   30                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   29                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   21                                                 
CONECT   27   28   29   30                                            
CONECT   28   27   25                                                 
CONECT   29   23   27                                                 
CONECT   30   27   21                                                 
CONECT   31   19   32                                                 
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0K0TL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.418  -0.961   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.418  -1.786   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.703  -2.199   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.989  -1.786   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.989  -0.961   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.703  -0.549   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.274  -2.199   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.560  -1.786   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.560  -0.961   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.274  -0.549   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.155  -0.549   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.155   0.276   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.560   0.689   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.274   0.276   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.939  -0.804   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.424  -0.136   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.939   0.531   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.249  -0.136   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.132  -2.199   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.989  -0.136   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.155   1.101   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.194   1.316   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       0.642   1.929   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       1.895   1.402   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       2.258   2.143   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       3.081   2.199   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       2.734  -0.804   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.519  -0.549   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       3.519   0.276   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       2.734   0.531   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.563  -1.611   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.176  -2.163   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.960  -1.908   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.132  -1.101   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   19                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10   20                                       
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12   15                                            
CONECT   12   11   13   17   21                                       
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   12   22                                            
CONECT   18   16   27   30                                            
CONECT   19    2                                                      
CONECT   20    5                                                      
CONECT   21   12                                                      
CONECT   22   17   23   24                                            
CONECT   23   22                                                      
CONECT   24   25   22                                                 
CONECT   25   24   26                                                 
CONECT   26   25                                                      
CONECT   27   18   28   31                                            
CONECT   28   27   29   34                                            
CONECT   29   28   30                                                 
CONECT   30   29   18                                                 
CONECT   31   27   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   28                                                 
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END

$$$$

$$$$

$$$$
D0K0ZI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.716   1.085   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.716   0.260   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.430  -0.152   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.145   0.260   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.145   1.085   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.430   1.498   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.001  -0.152   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.713   0.260   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.428  -0.152   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.428  -0.977   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.713  -1.390   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.001  -0.977   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.713   1.085   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.716  -1.390   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.430  -0.977   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.716  -2.215   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.142   0.260   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.857  -0.152   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.857  -0.977   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.142  -1.390   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.571  -1.390   0.000  1.00  0.00           O  
HETATM   22  H   UNL     1      -2.142  -2.215   0.000  1.00  0.00           H  
HETATM   23  C   UNL     1       2.857   1.500   0.000  1.00  0.00           C  
HETATM   24  F   UNL     1       2.444   2.215   0.000  1.00  0.00           F  
HETATM   25  F   UNL     1       3.571   1.913   0.000  1.00  0.00           F  
HETATM   26  F   UNL     1       3.269   0.786   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   23                                            
CONECT    6    5    1                                                 
CONECT    7    2    8   12                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10   17                                            
CONECT   10    9   11   20                                            
CONECT   11   10   12                                                 
CONECT   12   11    7   14                                            
CONECT   13    8                                                      
CONECT   14   12   15   16                                            
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17    9   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   10   22                                            
CONECT   21   19                                                      
CONECT   22   20                                                      
CONECT   23    5   24   25   26                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0K0ZX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.517   1.683   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.735   1.937   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.735   2.760   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.517   3.014   0.000  1.00  0.00           N  
HETATM    5  N   UNL     1      -2.000   2.348   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.822   2.348   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.829  -0.051   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.070   1.454   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.428   0.331   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.250   0.331   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.662   1.043   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.250   1.755   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.428   1.755   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.017   1.043   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1       3.662   2.467   0.000  1.00  0.00           S  
HETATM   16  N   UNL     1       4.072   3.179   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       2.950   2.878   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       4.373   2.056   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.634  -0.222   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.888  -1.004   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.337  -1.615   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.533  -1.444   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.279  -0.662   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.771   0.901   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.575   0.731   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.070   0.632   0.000  1.00  0.00           O  
HETATM   27  N   UNL     1       0.712   0.378   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       1.195   1.043   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       0.712   1.708   0.000  1.00  0.00           N  
HETATM   30  F   UNL     1      -3.234   3.060   0.000  1.00  0.00           F  
HETATM   31  C   UNL     1      -3.591  -2.397   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1      -4.373  -2.143   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -3.846  -3.179   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -2.810  -2.651   0.000  1.00  0.00           F  
CONECT    1    2    5   24                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    1    6                                            
CONECT    6    5   30                                                 
CONECT    7   19   23   25                                            
CONECT    8    2   26   29                                            
CONECT    9   10   14                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9   28                                            
CONECT   15   16   17   18   12                                       
CONECT   16   15                                                      
CONECT   17   15                                                      
CONECT   18   15                                                      
CONECT   19    7   20                                                 
CONECT   20   19   21                                                 
CONECT   21   31   20   22                                            
CONECT   22   21   23                                                 
CONECT   23   22    7                                                 
CONECT   24   25    1                                                 
CONECT   25   24    7                                                 
CONECT   26    8   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   14                                            
CONECT   29   28    8                                                 
CONECT   30    6                                                      
CONECT   31   32   33   34   21                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0K1GJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.134  -1.567   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.134  -2.389   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.422  -2.800   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.710  -2.389   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.710  -1.567   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.422  -1.155   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.998  -1.155   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.286  -1.567   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.574  -1.155   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.862  -1.567   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.150  -1.155   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.150  -0.333   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.862   0.078   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.574  -0.333   0.000  1.00  0.00           C  
HETATM   15  H   UNL     1      -2.998  -0.333   0.000  1.00  0.00           H  
HETATM   16  C   UNL     1       0.562   0.078   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.313  -0.257   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.863   0.354   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.452   1.066   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1       0.648   0.895   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.681   0.268   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.037   1.446   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.015  -0.483   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.833  -0.569   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.316   0.097   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.982   0.848   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.164   0.933   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       0.208   2.250   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.403   2.800   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.185   2.546   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.356   1.742   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1      -0.745   1.191   0.000  1.00  0.00           N  
HETATM   33 CL   UNL     1       5.134   0.011   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   15                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    7                                                      
CONECT   16   12   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   16   22                                            
CONECT   21   18   23   27                                            
CONECT   22   20   28   32                                            
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   33                                            
CONECT   26   25   27                                                 
CONECT   27   26   21                                                 
CONECT   28   22   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   22                                                 
CONECT   33   25                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0K1PP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858   0.206   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.143  -0.206   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.429   0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715  -0.206   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.000   0.206   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.715  -0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.429   0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.143  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.143  -1.031   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.715  -1.031   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1       0.000   1.031   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       2.143  -1.031   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1       2.858   0.206   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       2.858   1.028   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    6   11                                            
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8   13    7   12                                            
CONECT    9    2                                                      
CONECT   10    4                                                      
CONECT   11    5                                                      
CONECT   12    8                                                      
CONECT   13   14    8                                                 
CONECT   14   13                                                      
MASTER        0    0    0    0    0    0    0    0   14    0   14    0
END
M  END

$$$$
D0K1RU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.780   1.644   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.068   2.055   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.356   1.644   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.356   0.822   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.356   0.411   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.068   0.822   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.068   1.644   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.356   2.055   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.780   0.411   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.492   0.822   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.492   1.644   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.780   2.055   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       3.204   2.055   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       3.916   1.644   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       3.204   2.877   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.780  -0.411   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.068  -0.822   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.068  -1.644   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.780  -2.055   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.492  -1.644   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.492  -0.822   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.492   2.055   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.204   1.644   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.492   2.877   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.204   3.288   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.916   2.877   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -3.916   2.055   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -1.068   2.877   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       1.780  -2.877   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       2.492  -3.288   0.000  1.00  0.00           C  
CONECT    1    2   22                                                 
CONECT    2    1    3   28                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7    9                                            
CONECT    7    6    8   12                                            
CONECT    8    7    3                                                 
CONECT    9    6   10   16                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11    7                                                 
CONECT   13   11   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16    9   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   29   18   20                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22    1   23   24                                            
CONECT   23   22   27                                                 
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   23                                                 
CONECT   28    2                                                      
CONECT   29   30   19                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0K1ZY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.221   1.962   0.000  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.686   1.280   0.000  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.180   0.628   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.404   0.907   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429   1.732   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.677   0.517   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.024   0.951   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.001   1.776   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.728   2.166   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.501   2.739   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.967  -0.169   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.895   0.216   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.609   0.628   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.324   0.216   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.609   1.453   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.550  -0.752   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.337  -1.549   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.540  -1.762   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.956  -1.179   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.170  -0.382   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.751   0.561   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.466   0.974   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1       0.764  -0.264   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       2.180   0.561   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.895   0.974   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.609   0.561   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.324   0.974   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.324   1.799   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.609   2.211   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.895   1.799   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       3.609  -0.264   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       2.895  -0.676   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.895  -1.501   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       3.609  -1.914   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       4.324  -1.501   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.324  -0.676   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.609  -2.739   0.000  1.00  0.00           C  
CONECT    1    2    5   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   11   12                                       
CONECT    4    3    5    6                                            
CONECT    5    4    1    9                                            
CONECT    6    4    7                                                 
CONECT    7    6    8   21                                            
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    1                                                      
CONECT   11    3   16   20                                            
CONECT   12    3   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   11   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   11                                                 
CONECT   21    7   22   23                                            
CONECT   22   21   24                                                 
CONECT   23   21                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   26   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   37                                            
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0K2BT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.041  -2.034   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.041  -2.859   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.327  -3.272   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.388  -2.859   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.388  -2.034   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.327  -1.622   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.173  -3.114   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1       1.657  -2.447   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.173  -1.779   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.755  -1.622   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.428  -0.995   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.235  -0.823   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1       0.875  -0.382   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       2.490  -0.038   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.296   0.133   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.551   0.918   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       2.999   1.531   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.192   1.359   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.937   0.575   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.755  -0.797   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.470  -0.384   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.184  -0.797   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.184  -1.622   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.470  -2.034   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.470   0.441   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.184   0.853   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.184   1.678   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.899   2.091   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.613   1.678   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.613   0.853   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.899   0.441   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       3.254   2.316   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       4.061   2.487   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.316   3.272   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.613   1.874   0.000  1.00  0.00           C  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   11                                            
CONECT   10    1   20   24                                            
CONECT   11    9   12   13                                            
CONECT   12   11   14                                                 
CONECT   13   11                                                      
CONECT   14   12   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   32                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   10   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   10                                                 
CONECT   25   21   26                                                 
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   17   33                                                 
CONECT   33   32   34   35                                            
CONECT   34   33                                                      
CONECT   35   33                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0K2FK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.640   0.446   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.640  -0.379   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.926  -0.791   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.211  -0.379   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.211   0.446   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.926   0.859   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.497   0.859   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.782   0.446   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.068   0.859   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.068   1.684   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.782   2.096   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.497   1.684   0.000  1.00  0.00           C  
HETATM   13 CL   UNL     1      -3.211   2.096   0.000  1.00  0.00          Cl  
HETATM   14  N   UNL     1      -0.353   0.446   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.361   0.859   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.076   0.446   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       0.361   1.684   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.076  -0.379   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.790  -0.791   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.505  -0.379   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.505   0.446   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.790   0.859   0.000  1.00  0.00           C  
HETATM   23 CL   UNL     1       1.790   1.684   0.000  1.00  0.00          Cl  
HETATM   24  N   UNL     1       3.219  -0.791   0.000  1.00  0.00           N  
HETATM   25  S   UNL     1       3.973  -0.455   0.000  1.00  0.00           S  
HETATM   26  O   UNL     1       3.759   0.341   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1       4.556   0.128   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.926  -1.616   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.211  -2.029   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.497  -1.616   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.497  -0.791   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.133  -1.612   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.800  -2.096   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       4.554  -1.761   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       4.640  -0.940   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   28                                            
CONECT    4    3    5   31                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7   13                                            
CONECT   13   12                                                      
CONECT   14    9   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   18   22                                            
CONECT   17   15                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   16   23                                            
CONECT   23   22                                                      
CONECT   24   20   25   32                                            
CONECT   25   24   26   27   35                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28    3   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30    4                                                 
CONECT   32   24   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   25                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0K2GG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.240   1.525   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.240   0.703   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.528   0.292   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.816   0.703   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.816   1.525   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.528   1.937   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.104   1.937   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.608   1.525   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.608   0.703   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.319   0.292   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.031   0.703   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.031   1.525   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.743   0.292   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       3.455   0.703   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       3.455   1.525   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.743   1.937   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.743   2.759   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       2.743  -0.530   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       4.167   1.937   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       4.167   2.759   0.000  1.00  0.00           O  
HETATM   21  S   UNL     1       2.942   1.474   0.000  1.00  0.00           S  
HETATM   22  S   UNL     1       2.497   0.909   0.000  1.00  0.00           S  
HETATM   23  C   UNL     1       4.167   0.292   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       0.395  -0.091   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.373  -0.385   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.330  -1.206   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.464  -1.419   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.912  -0.730   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.838  -2.152   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.659  -2.195   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.106  -1.505   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.733  -0.773   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.969  -1.724   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.736  -1.429   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1      -1.865  -0.617   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1      -2.375  -1.947   0.000  1.00  0.00           C  
HETATM   37  N   UNL     1      -3.143  -1.652   0.000  1.00  0.00           N  
HETATM   38  C   UNL     1      -3.271  -0.840   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.632  -0.322   0.000  1.00  0.00           C  
HETATM   40  O   UNL     1      -2.761   0.490   0.000  1.00  0.00           O  
HETATM   41  O   UNL     1      -2.247  -2.759   0.000  1.00  0.00           O  
HETATM   42  C   UNL     1      -4.039  -0.545   0.000  1.00  0.00           C  
HETATM   43  O   UNL     1      -4.167   0.267   0.000  1.00  0.00           O  
HETATM   44  S   UNL     1      -2.756  -0.810   0.000  1.00  0.00           S  
HETATM   45  S   UNL     1      -2.228  -1.299   0.000  1.00  0.00           S  
HETATM   46  C   UNL     1      -3.782  -2.169   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1      -1.226  -0.100   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10    4   24                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   13   22                                       
CONECT   12   11    8   16                                            
CONECT   13   11   14   18                                            
CONECT   14   13   15   23                                            
CONECT   15   14   16   19   21                                       
CONECT   16   15   12   17                                            
CONECT   17   16                                                      
CONECT   18   13                                                      
CONECT   19   15   20                                                 
CONECT   20   19                                                      
CONECT   21   15   22                                                 
CONECT   22   21   11                                                 
CONECT   23   14                                                      
CONECT   24    9   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   33                                            
CONECT   27   26   28   29                                            
CONECT   28   27   24   32                                            
CONECT   29   27   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   28                                                 
CONECT   33   26   34                                                 
CONECT   34   35   36   45   33                                       
CONECT   35   34   39   47                                            
CONECT   36   34   37   41                                            
CONECT   37   36   38   46                                            
CONECT   38   37   39   42   44                                       
CONECT   39   38   35   40                                            
CONECT   40   39                                                      
CONECT   41   36                                                      
CONECT   42   38   43                                                 
CONECT   43   42                                                      
CONECT   44   38   45                                                 
CONECT   45   44   34                                                 
CONECT   46   37                                                      
CONECT   47   35                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
M  END

$$$$
D0K2GH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.164  -1.380   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.449  -0.967   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.265  -1.380   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.980  -0.967   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.878  -0.967   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.449  -0.142   0.000  1.00  0.00           O  
HETATM    7  N   UNL     1       1.734  -1.303   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1       2.285  -0.690   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.873   0.025   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.066  -0.147   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.959   0.845   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.905  -2.110   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.964  -0.147   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.771   0.025   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.184  -0.690   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.632  -1.303   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.803  -2.110   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.588  -2.365   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.759  -3.172   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.146  -3.724   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.362  -3.469   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.190  -2.662   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.180   0.850   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.894   1.262   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.894   2.087   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.609   2.500   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -1.749  -4.021   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -3.318  -4.531   0.000  1.00  0.00           F  
HETATM   29  C   UNL     1       2.713   1.181   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.799   2.001   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.132   2.486   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.378   2.151   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.292   1.330   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       2.218   3.307   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       3.015   3.520   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.228   4.317   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1       4.025   4.531   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1       4.609   3.947   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    7   10                                            
CONECT    5    1   13   16                                            
CONECT    6    2                                                      
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    4                                                 
CONECT   11    9   29   33                                            
CONECT   12    7                                                      
CONECT   13    5   14                                                 
CONECT   14   13   15   23                                            
CONECT   15   14   16                                                 
CONECT   16   15    5   17                                            
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   28                                            
CONECT   21   20   22   27                                            
CONECT   22   21   17                                                 
CONECT   23   14   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25                                                      
CONECT   27   21                                                      
CONECT   28   20                                                      
CONECT   29   11   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   11                                                 
CONECT   34   31   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0K2LB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.551   0.240   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.551  -0.585   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.837  -0.997   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.122  -0.585   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.122   0.240   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.837   0.653   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.408   0.653   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.306   0.240   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -0.408   1.478   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.021   0.653   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.736   0.240   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.450   0.653   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.450   1.478   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.736   1.890   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.021   1.478   0.000  1.00  0.00           C  
HETATM   16 CL   UNL     1       3.164   1.890   0.000  1.00  0.00          Cl  
HETATM   17 CL   UNL     1       3.164   0.240   0.000  1.00  0.00          Cl  
HETATM   18  N   UNL     1      -3.164  -1.137   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.829  -1.890   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.008  -1.804   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4   20                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13                                                      
CONECT   17   12                                                      
CONECT   18    2   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19    3                                                 
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0K2OT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715   0.825   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.715   1.650   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.429   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.000   0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.858   0.412   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.572   0.825   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1      -2.858  -0.412   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.715  -0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.429  -0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.715   0.825   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       0.715  -1.650   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       0.000  -2.062   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       1.429  -2.062   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.143  -1.650   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.858  -2.062   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.572  -1.650   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4   11   15                                            
CONECT    8    2    9   10                                            
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11    7   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    7                                                 
CONECT   16   12   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0K2PK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       5.689   2.826   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       4.871   2.715   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       4.367   3.368   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       3.549   3.257   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       3.044   3.909   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       2.227   3.799   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.722   4.451   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.904   4.340   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.914   3.035   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.096   2.924   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.419   2.383   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.601   2.272   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       2.035   5.215   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       4.679   4.131   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       3.236   2.493   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       0.334   4.936   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.409   4.579   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.298   3.761   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.514   3.614   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.968   5.217   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.766   5.428   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.981   6.225   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.399   6.810   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.615   7.606   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.413   7.817   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.994   7.232   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.779   6.436   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.792   7.444   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.373   6.859   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.158   6.063   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.360   5.851   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1      -0.386   5.802   0.000  1.00  0.00           O  
HETATM   33  N   UNL     1      -0.894   3.191   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1      -0.894   2.366   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.609   1.953   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1      -0.180   1.953   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1      -2.323   2.366   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.038   1.953   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.038   1.128   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.323   0.716   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1      -1.609   1.128   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.752   0.716   0.000  1.00  0.00           C  
HETATM   43  O   UNL     1      -3.966  -0.081   0.000  1.00  0.00           O  
HETATM   44  C   UNL     1      -3.553  -0.796   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1      -5.689  -4.182   0.000  1.00  0.00           C  
HETATM   46  N   UNL     1      -4.974  -3.769   0.000  1.00  0.00           N  
HETATM   47  C   UNL     1      -4.260  -4.182   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1      -3.545  -3.769   0.000  1.00  0.00           C  
HETATM   49  N   UNL     1      -2.831  -4.182   0.000  1.00  0.00           N  
HETATM   50  C   UNL     1      -2.116  -3.769   0.000  1.00  0.00           C  
HETATM   51  C   UNL     1      -1.402  -4.182   0.000  1.00  0.00           C  
HETATM   52  N   UNL     1      -0.688  -3.769   0.000  1.00  0.00           N  
HETATM   53  O   UNL     1      -1.402  -5.007   0.000  1.00  0.00           O  
HETATM   54  C   UNL     1      -4.260  -5.007   0.000  1.00  0.00           C  
HETATM   55  O   UNL     1      -3.545  -2.944   0.000  1.00  0.00           O  
HETATM   56  C   UNL     1      -2.116  -2.944   0.000  1.00  0.00           C  
HETATM   57  C   UNL     1       0.066  -4.105   0.000  1.00  0.00           C  
HETATM   58  C   UNL     1       0.066  -4.930   0.000  1.00  0.00           C  
HETATM   59  O   UNL     1      -0.648  -5.342   0.000  1.00  0.00           O  
HETATM   60  N   UNL     1       0.781  -5.342   0.000  1.00  0.00           N  
HETATM   61  C   UNL     1       0.781  -6.167   0.000  1.00  0.00           C  
HETATM   62  C   UNL     1       0.066  -6.580   0.000  1.00  0.00           C  
HETATM   63  C   UNL     1       0.066  -7.405   0.000  1.00  0.00           C  
HETATM   64  C   UNL     1       0.781  -7.817   0.000  1.00  0.00           C  
HETATM   65  C   UNL     1       1.495  -7.405   0.000  1.00  0.00           C  
HETATM   66  C   UNL     1       1.495  -6.580   0.000  1.00  0.00           C  
HETATM   67  C   UNL     1       2.210  -7.817   0.000  1.00  0.00           C  
HETATM   68  C   UNL     1       2.924  -7.405   0.000  1.00  0.00           C  
HETATM   69  C   UNL     1       2.924  -6.580   0.000  1.00  0.00           C  
HETATM   70  C   UNL     1       2.210  -6.167   0.000  1.00  0.00           C  
HETATM   71  C   UNL     1      -3.966  -1.510   0.000  1.00  0.00           C  
HETATM   72  C   UNL     1      -3.553  -2.224   0.000  1.00  0.00           C  
HETATM   73  C   UNL     1      -2.728  -2.224   0.000  1.00  0.00           C  
HETATM   74  C   UNL     1      -2.316  -1.510   0.000  1.00  0.00           C  
HETATM   75  C   UNL     1      -2.728  -0.796   0.000  1.00  0.00           C  
HETATM   76  C   UNL     1       0.734  -3.620   0.000  1.00  0.00           C  
HETATM   77  C   UNL     1       0.647  -2.800   0.000  1.00  0.00           C  
HETATM   78  C   UNL     1      -0.106  -2.464   0.000  1.00  0.00           C  
HETATM   79  C   UNL     1      -0.774  -2.949   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4   14                                            
CONECT    4    3    5   15                                            
CONECT    5    4    6                                                 
CONECT    6    5    7    9                                            
CONECT    7    6    8   13                                            
CONECT    8    7   16   19                                            
CONECT    9    6   10   11   12                                       
CONECT   10    9                                                      
CONECT   11    9                                                      
CONECT   12    9                                                      
CONECT   13    7                                                      
CONECT   14    3                                                      
CONECT   15    4                                                      
CONECT   16    8   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19   33                                            
CONECT   19   18    8                                                 
CONECT   20   21   17   32                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   22   31                                            
CONECT   28   26   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   27                                                 
CONECT   32   20                                                      
CONECT   33   18   34                                                 
CONECT   34   33   35   36                                            
CONECT   35   34   37   41                                            
CONECT   36   34                                                      
CONECT   37   35   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40   42                                            
CONECT   40   39   41                                                 
CONECT   41   40   35                                                 
CONECT   42   39   43                                                 
CONECT   43   42   44                                                 
CONECT   44   43   71   75                                            
CONECT   45   46                                                      
CONECT   46   45   47                                                 
CONECT   47   46   48   54                                            
CONECT   48   47   49   55                                            
CONECT   49   48   50                                                 
CONECT   50   49   51   56                                            
CONECT   51   50   52   53                                            
CONECT   52   51   57   79                                            
CONECT   53   51                                                      
CONECT   54   47                                                      
CONECT   55   48                                                      
CONECT   56   50   73                                                 
CONECT   57   52   58   76                                            
CONECT   58   57   59   60                                            
CONECT   59   58                                                      
CONECT   60   58   61                                                 
CONECT   61   60   62   66                                            
CONECT   62   61   63                                                 
CONECT   63   62   64                                                 
CONECT   64   63   65                                                 
CONECT   65   64   66   67                                            
CONECT   66   65   61   70                                            
CONECT   67   65   68                                                 
CONECT   68   67   69                                                 
CONECT   69   68   70                                                 
CONECT   70   69   66                                                 
CONECT   71   44   72                                                 
CONECT   72   71   73                                                 
CONECT   73   72   74   56                                            
CONECT   74   73   75                                                 
CONECT   75   74   44                                                 
CONECT   76   57   77                                                 
CONECT   77   76   78                                                 
CONECT   78   77   79                                                 
CONECT   79   78   52                                                 
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
M  END

$$$$
D0K2RW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.538   0.848   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.109   0.023   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.109   0.848   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.824   1.260   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.325  -0.232   0.000  1.00  0.00           N  
HETATM    6  N   UNL     1      -0.840   0.435   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.325   1.103   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.070   1.887   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.263   2.059   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.289   1.446   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.096   1.617   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.351   2.402   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.799   3.015   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.008   2.844   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.824   2.085   0.000  1.00  0.00           O  
HETATM   16  S   UNL     1       2.158   2.574   0.000  1.00  0.00           S  
HETATM   17  O   UNL     1       2.372   1.777   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.955   2.787   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.945   3.370   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.070  -1.017   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.622  -1.630   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.367  -2.414   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.560  -2.586   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.008  -1.973   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.263  -1.188   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.486  -0.433   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.339  -0.433   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       1.164  -0.433   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1      -0.305  -3.370   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       0.492  -3.584   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       3.168   3.584   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       3.538   2.204   0.000  1.00  0.00           F  
HETATM   33  C   UNL     1       1.075  -3.001   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1       1.657  -3.582   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1       1.657  -2.419   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1       0.494  -2.419   0.000  1.00  0.00           F  
CONECT    1    4                                                      
CONECT    2    3    5                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    1   15                                            
CONECT    5    2    6   20                                            
CONECT    6    5    7                                                 
CONECT    7    6    3    8                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    4                                                      
CONECT   16   12   17   18   19                                       
CONECT   17   16                                                      
CONECT   18   16   31   32                                            
CONECT   19   16                                                      
CONECT   20    5   21   25   26                                       
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   29                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   20   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27                                                      
CONECT   29   23   30                                                 
CONECT   30   33   29                                                 
CONECT   31   18                                                      
CONECT   32   18                                                      
CONECT   33   34   35   36   30                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0K2UF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.300  -0.357   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.888  -1.072   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.062  -1.072   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.650  -0.357   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.062   0.357   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.888   0.357   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.825  -0.357   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.412  -1.072   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.412  -1.072   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.825  -1.786   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.650  -1.786   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.062  -1.072   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.650  -0.357   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.825  -0.357   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.888  -1.072   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.300  -0.357   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       3.300  -1.786   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       2.888   0.357   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.412   0.357   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.412   0.357   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.825   1.072   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.412   1.786   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.412   1.786   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.825   1.072   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   19                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16                                                      
CONECT   19    7   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0K2WP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.715   0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.715  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.429  -0.619   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       2.144  -0.206   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.144   0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.429   1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.858  -0.619   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       3.572  -0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       4.287  -0.619   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       2.858  -1.444   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1       4.287  -1.444   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1       5.001  -1.856   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       5.715  -1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       5.715  -0.619   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       5.001  -0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.001   1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.714   0.618   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.428   1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.143   0.618   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.143  -0.207   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.428  -0.619   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.714  -0.207   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.857   1.031   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.572   0.618   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.286   1.031   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.001   0.618   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.001  -0.207   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.286  -0.619   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.572  -0.207   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       1.429   1.856   0.000  1.00  0.00           C  
HETATM   31 BR   UNL     1      -5.715  -0.619   0.000  1.00  0.00          Br  
CONECT    1    2    6   16                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   30                                            
CONECT    7    4    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8   11   15                                            
CONECT   10    7                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    9                                                 
CONECT   16    1   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   19   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30    6                                                      
CONECT   31   27                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0K2YO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.259  -3.387   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.567  -3.387   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.979  -2.673   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.567  -1.958   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.259  -1.958   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.671  -2.673   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.081  -1.313   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.897  -0.509   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.154  -0.151   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.589  -0.509   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.773  -1.313   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.155  -1.180   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.463  -1.180   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.154   0.674   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.216   2.054   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.554   2.350   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.511   3.174   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.286   3.387   0.000  1.00  0.00           C  
HETATM   19  S   UNL     1      -0.735   2.695   0.000  1.00  0.00           S  
HETATM   20  S   UNL     1      -0.449   1.238   0.000  1.00  0.00           S  
HETATM   21  O   UNL     1      -1.081   0.708   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1      -1.081   1.769   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10   14                                            
CONECT   10    9   11   12                                            
CONECT   11   10    5                                                 
CONECT   12   10   13                                                 
CONECT   13   12    8                                                 
CONECT   14    9   20                                                 
CONECT   15   16   19   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   15                                                 
CONECT   20   14   15   21   22                                       
CONECT   21   20                                                      
CONECT   22   20                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0K2ZQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.301   0.225   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.301  -0.600   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.587  -1.012   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.872  -0.600   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.872   0.225   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.587   0.638   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.016   0.638   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.730   0.225   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.730  -0.600   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.016  -1.012   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.158   0.638   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.587  -1.837   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.443   0.225   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.443  -0.600   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.271  -1.012   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       0.986  -0.600   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.986   0.225   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.271   0.638   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       0.271   1.463   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1      -1.056  -1.152   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.721  -1.905   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.100  -1.819   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       1.770  -0.855   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       2.255  -0.187   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       1.770   0.480   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       2.025   1.265   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.822   1.478   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.619   1.692   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.416   1.905   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       3.080  -0.187   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       3.493  -0.902   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.318  -0.902   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.730  -0.187   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.318   0.527   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.493   0.527   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1       4.730  -1.616   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4   12                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    2                                                 
CONECT   11    5   13                                                 
CONECT   12    3                                                      
CONECT   13   11   14   18                                            
CONECT   14   13   15   20                                            
CONECT   15   14   16   22                                            
CONECT   16   15   17   23                                            
CONECT   17   16   18   25                                            
CONECT   18   17   13   19                                            
CONECT   19   18                                                      
CONECT   20   14   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   15                                                 
CONECT   23   16   24                                                 
CONECT   24   23   25   30                                            
CONECT   25   24   17   26                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28                                                      
CONECT   30   24   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33   36                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
CONECT   36   32                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0K3BR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.077  -1.488   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.902  -1.488   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.315  -0.773   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.902  -0.059   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.077  -0.059   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.335  -0.773   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.437  -2.133   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.253  -2.937   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.490  -3.295   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.233  -2.937   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.417  -2.133   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.838  -3.498   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       2.626  -3.255   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.810  -2.451   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.205  -1.890   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.234  -1.919   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.817  -2.503   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.604  -3.300   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.807  -3.513   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1      -0.335   0.655   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.160   0.655   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.573   1.370   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.160   2.084   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.573   2.799   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.397   2.799   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.810   2.084   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.397   1.370   0.000  1.00  0.00           C  
HETATM   28 CL   UNL     1      -2.810   3.513   0.000  1.00  0.00          Cl  
CONECT    1    2    6    7                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   20                                            
CONECT    6    5    1                                                 
CONECT    7    1    8   16                                            
CONECT    8    7    9   19                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10    2   15                                            
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16    7   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18    8                                                 
CONECT   20    5   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0K3EB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.127  -1.968   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.127  -2.793   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.841  -3.205   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.556  -2.793   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.556  -1.968   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.841  -1.556   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.270  -3.205   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.985  -2.793   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.985  -1.968   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.270  -1.556   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.412  -1.556   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.302  -1.968   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.016  -1.556   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.731  -1.968   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.445  -1.556   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.016  -0.731   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.302  -0.318   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.302   0.507   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       0.412   0.919   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.445  -0.731   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.160  -0.318   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.874  -0.731   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.874  -1.556   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.160  -1.968   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.160   0.507   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.492   0.992   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.747   1.777   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.572   1.777   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.827   0.992   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.335   2.491   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.747   3.205   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.572   3.205   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.985   2.491   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.016   0.919   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1      -0.302  -2.793   0.000  1.00  0.00           O  
CONECT    1    2    6   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    1   12                                                 
CONECT   12   11   13   35                                            
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   20   24                                            
CONECT   16   13   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   34                                            
CONECT   19   18                                                      
CONECT   20   15   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   15                                                 
CONECT   25   21   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29   33                                            
CONECT   29   28   25                                                 
CONECT   30   27   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34   18                                                      
CONECT   35   12                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0K3FJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.325   1.927   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.325   1.102   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.611   0.689   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.897   1.102   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.897   1.927   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.611   2.339   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.182   0.689   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.096  -0.131   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.289  -0.303   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.124   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.428   1.025   0.000  1.00  0.00           C  
HETATM   12  I   UNL     1      -4.040   2.339   0.000  1.00  0.00           I  
HETATM   13  C   UNL     1      -1.709  -0.683   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.494  -0.428   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.107  -0.980   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.935  -1.787   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.150  -2.042   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.537  -1.490   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -0.753  -1.745   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1      -0.257   1.832   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1      -3.548  -2.339   0.000  1.00  0.00          Cl  
HETATM   22  N   UNL     1       0.944   0.498   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.429  -0.169   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.250  -0.083   0.000  1.00  0.00           N  
HETATM   25  O   UNL     1       1.093  -0.923   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       2.735  -0.751   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.399  -1.504   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.884  -2.172   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.704  -2.086   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.040  -1.332   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.555  -0.664   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   22                                            
CONECT   11   10    7   20                                            
CONECT   12    1                                                      
CONECT   13    8   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   13   19                                            
CONECT   19   18                                                      
CONECT   20   11                                                      
CONECT   21   16                                                      
CONECT   22   10   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   26                                                 
CONECT   25   23                                                      
CONECT   26   24   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0K3IO
  -OEChem-09301911272D

 53 54  0     1  0  0  0  0  0999 V2000
    5.4071    0.1630    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.2508    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8779   -3.5286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6522   -6.1648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2345   -6.8692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6357   -5.8512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4602   -4.2331    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    6.7508    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    6.7508    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2791   -2.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6859   -1.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1927   -2.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3656   -2.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8724   -3.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -0.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0534   -5.1467    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0981   -0.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0589   -5.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    0.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6412   -5.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    6.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1999   -1.9437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1166   -1.1510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9405   -3.4837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7591   -3.1695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4448   -2.3509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6178   -1.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7992   -1.8517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1134   -2.6702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0768   -4.1683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6890   -4.6451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7336   -1.2896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1022   -4.6327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4573   -5.1012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1994    0.3546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0356   -6.2296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5989   -7.3708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.4408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    5.0608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    5.0608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    7.3708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    6.4408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    7.3708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 21  1  0  0  0  0
  2 26  1  0  0  0  0
  3 16  2  0  0  0  0
  4 20  1  0  0  0  0
  4 46  1  0  0  0  0
  5 23  1  0  0  0  0
  5 47  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 23  2  0  0  0  0
  8 24  2  0  0  0  0
  9 16  1  0  0  0  0
 18  9  1  6  0  0  0
  9 40  1  0  0  0  0
 10 31  1  0  0  0  0
 10 51  1  0  0  0  0
 10 52  1  0  0  0  0
 11 31  2  0  0  0  0
 11 53  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 23  1  0  0  0  0
 18 41  1  0  0  0  0
 19 22  1  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 22  2  0  0  0  0
 21 24  1  0  0  0  0
 22 45  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  2  0  0  0  0
 27 48  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 29 49  1  0  0  0  0
 30 50  1  0  0  0  0
M  END

$$$$
D0K3KE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.098   1.806   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.098   0.981   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.813   0.569   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.527   0.981   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.527   1.806   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.813   2.219   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.384   0.569   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.331   0.981   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.242   2.219   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.331   1.806   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.045   2.219   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.760   1.806   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.760   0.981   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.045   0.569   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.528   0.680   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.771  -0.108   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.306  -0.790   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.483  -0.852   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.922  -0.247   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.719  -1.504   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.544  -1.504   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.956  -2.219   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.544  -2.933   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.719  -2.933   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.306  -2.219   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.481  -2.219   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -0.656  -2.219   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -1.481  -1.394   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -1.481  -3.044   0.000  1.00  0.00           F  
HETATM   30  H   UNL     1      -1.045   3.044   0.000  1.00  0.00           H  
HETATM   31  C   UNL     1       3.956   1.806   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.242   3.044   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.956   2.631   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7   10   14                                            
CONECT    9    5   31   32   33                                       
CONECT   10    8   11                                                 
CONECT   11   10   12   30                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13    8   19                                            
CONECT   15   13   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20   26                                            
CONECT   26   25   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30   11                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0K3KM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.572   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.143   0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.143   1.650   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.858   2.062   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.572   1.650   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.429   0.412   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.715   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.000   0.412   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.715   1.650   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1      -3.572  -1.650   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.715  -0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.429  -0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.715   0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.143  -0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.143  -1.650   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.858  -2.062   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.572  -1.650   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.572  -0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.858  -0.412   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       4.287  -0.412   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       4.287  -2.062   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   15                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   10                                            
CONECT    7    5    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    6                                                 
CONECT   11    7   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   16   20                                            
CONECT   14   12                                                      
CONECT   15    3                                                      
CONECT   16   13   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   13                                                 
CONECT   21   18   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   28                                            
CONECT   25   24   26   27                                            
CONECT   26   25   21                                                 
CONECT   27   25                                                      
CONECT   28   24                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0K3MV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.294   0.584   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.119   0.584   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.531   1.299   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.119   2.013   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.294   2.013   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.881   1.299   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       3.357   1.299   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.057   1.299   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.428   1.966   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.213   1.711   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.213   0.886   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.428   0.631   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.927   2.124   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.642   1.711   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.642   0.886   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.927   0.474   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.927   2.949   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.357   0.474   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.173  -0.153   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.726  -0.766   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.471  -1.551   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1      -1.532  -0.595   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.023  -2.164   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.336  -1.723   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.768  -2.949   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.591  -2.507   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    3                                                      
CONECT    8    6    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12   16                                            
CONECT   12   11    8   19                                            
CONECT   13   10   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   11                                                 
CONECT   17   13                                                      
CONECT   18   15                                                      
CONECT   19   12   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   23   24                                            
CONECT   22   20                                                      
CONECT   23   21   25                                                 
CONECT   24   21   26                                                 
CONECT   25   23                                                      
CONECT   26   24                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0K3QR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.056   1.063   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.056   0.238   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.770  -0.174   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.485   0.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.485   1.063   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.770   1.476   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.270  -0.017   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.754   0.651   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       2.270   1.318   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1       0.770   2.301   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.659  -0.174   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.373   0.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.373   1.063   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.087   1.476   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.802   1.063   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.802   0.238   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.087  -0.174   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.087   2.301   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.802   2.713   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.516   1.476   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -4.231   1.063   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.524  -0.801   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.972  -1.414   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.331  -0.973   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.883  -0.360   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.165  -1.243   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.613  -1.856   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.194  -1.684   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.449  -0.900   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.255  -0.728   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.808  -1.341   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.553  -2.126   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.746  -2.297   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1      -4.945   1.476   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -4.231   0.238   0.000  1.00  0.00           F  
HETATM   36  O   UNL     1       3.586  -1.757   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1       4.393  -1.929   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       4.945  -1.316   0.000  1.00  0.00           C  
HETATM   39  O   UNL     1       4.648  -2.713   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8   22                                            
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    6                                                      
CONECT   11    2   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   14   19                                                 
CONECT   19   18                                                      
CONECT   20   15   21                                                 
CONECT   21   20   34   35                                            
CONECT   22    7   23   24                                            
CONECT   23   22   26                                                 
CONECT   24   22   25   36                                            
CONECT   25   24                                                      
CONECT   26   23   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34   21                                                      
CONECT   35   21                                                      
CONECT   36   24   37                                                 
CONECT   37   36   38   39                                            
CONECT   38   37                                                      
CONECT   39   37                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0K3QT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.682  -0.547   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.032  -0.135   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.747  -0.547   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.461  -0.135   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.397  -0.135   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       0.032   0.690   0.000  1.00  0.00           O  
HETATM    7  N   UNL     1       2.215  -0.470   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1       2.767   0.143   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.354   0.857   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.548   0.686   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.441   1.678   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.386  -1.277   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.483   0.686   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.290   0.857   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.702   0.143   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.150  -0.470   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.322  -1.277   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.107  -1.532   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.278  -2.339   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.665  -2.891   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.880  -2.636   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.709  -1.829   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.698   1.682   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.413   2.095   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.413   2.920   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.127   3.332   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -1.267  -3.188   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -2.836  -3.698   0.000  1.00  0.00           F  
HETATM   29  C   UNL     1       0.934   1.238   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.155   2.090   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       2.984   2.897   0.000  1.00  0.00           N  
HETATM   32  N   UNL     1       2.163   2.984   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       1.828   2.230   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.751   3.698   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.773  -1.829   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       1.945  -2.636   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       2.729  -2.891   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       3.343  -2.339   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       3.171  -1.532   0.000  1.00  0.00           C  
HETATM   40  F   UNL     1       3.784  -0.980   0.000  1.00  0.00           F  
HETATM   41 CL   UNL     1       4.127  -2.594   0.000  1.00  0.00          Cl  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    7   10                                            
CONECT    5    1   13   16                                            
CONECT    6    2                                                      
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    4   29                                            
CONECT   11    9   30   33                                            
CONECT   12    7   35   39                                            
CONECT   13    5   14                                                 
CONECT   14   13   15   23                                            
CONECT   15   14   16                                                 
CONECT   16   15    5   17                                            
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   28                                            
CONECT   21   20   22   27                                            
CONECT   22   21   17                                                 
CONECT   23   14   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25                                                      
CONECT   27   21                                                      
CONECT   28   20                                                      
CONECT   29   10                                                      
CONECT   30   11   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   34                                            
CONECT   33   32   11                                                 
CONECT   34   32                                                      
CONECT   35   12   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39   41                                            
CONECT   39   38   12   40                                            
CONECT   40   39                                                      
CONECT   41   38                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D0K3UO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.102   2.573   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.515   1.859   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.213   1.091   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.425   0.848   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.743   1.312   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.682   2.135   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.286   2.696   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.086   2.437   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.731   1.922   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       0.209   3.252   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.608   1.107   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.253   0.592   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.021   0.893   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.144   1.709   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.499   2.224   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       2.666   0.379   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.302   0.032   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.947  -0.482   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.534  -0.269   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       0.263  -0.056   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.476   0.741   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.846  -0.639   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.899   2.787   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.102   3.398   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.338   1.810   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.546   1.011   0.000  1.00  0.00           N  
HETATM   27  N   UNL     1      -2.851   0.567   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.862   2.447   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.543  -0.437   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.188  -0.951   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       3.065  -1.767   0.000  1.00  0.00           N1+
HETATM   32  C   UNL     1       2.297  -2.068   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.175  -2.884   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       2.820  -3.398   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       3.587  -3.097   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.710  -2.281   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.862  -1.553   0.000  1.00  0.00           C  
CONECT    1    2    7   23   24                                       
CONECT    2    1    3   25                                            
CONECT    3    2    4   27                                            
CONECT    4    3    5   17                                            
CONECT    5    4    6                                                 
CONECT    6    5    7    8                                            
CONECT    7    6    1                                                 
CONECT    8    6    9   10                                            
CONECT    9    8   11   15                                            
CONECT   10    8                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14    9                                                 
CONECT   16   13   29                                                 
CONECT   17    4   18   19                                            
CONECT   18   17                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20                                                      
CONECT   22   20                                                      
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    2   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26    3                                                 
CONECT   28   25                                                      
CONECT   29   16   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   36   37                                       
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
CONECT   37   31                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0K3UV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.689  -0.155   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.689  -0.980   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.025  -1.393   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.740  -0.980   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.740  -0.155   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.025   0.257   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.454   0.257   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.454   1.082   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.740   1.495   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.025   1.082   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.169  -0.155   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.883   0.257   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       2.883   1.082   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       2.169   1.495   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.474   0.100   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.959  -0.568   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.474  -1.235   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.169   2.320   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       3.598  -0.155   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       1.454   1.907   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       1.454  -1.393   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       1.454  -0.568   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       0.025  -2.218   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.775   0.665   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.775  -1.801   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.729  -2.020   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.536  -2.192   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.088  -1.578   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.791  -2.976   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.239  -3.589   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.598  -3.148   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.542   0.015   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.673  -0.980   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.687   0.896   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.836   2.805   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1       2.581   3.589   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1       1.756   3.589   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       1.501   2.805   0.000  1.00  0.00           C  
HETATM   39  H   UNL     1       0.740   0.670   0.000  1.00  0.00           H  
HETATM   40  H   UNL     1       2.169   0.670   0.000  1.00  0.00           H  
HETATM   41  C   UNL     1      -2.195   0.606   0.000  1.00  0.00           C  
HETATM   42  O   UNL     1      -2.992   0.392   0.000  1.00  0.00           O  
HETATM   43  O   UNL     1      -1.612   0.022   0.000  1.00  0.00           O  
HETATM   44  C   UNL     1      -0.815   0.236   0.000  1.00  0.00           C  
HETATM   45  O   UNL     1      -0.691   1.082   0.000  1.00  0.00           O  
HETATM   46  O   UNL     1      -1.405   2.320   0.000  1.00  0.00           O  
HETATM   47  C   UNL     1      -1.405   1.495   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1      -2.120   1.082   0.000  1.00  0.00           C  
CONECT    1    2    6   15   24                                       
CONECT    2    1    3   17   25                                       
CONECT    3    2    4   23                                            
CONECT    4    3    5   21                                            
CONECT    5    4    6    7   22                                       
CONECT    6    5    1   10   39                                       
CONECT    7    5    8   11   40                                       
CONECT    8    7    9   14   20                                       
CONECT    9    8   10                                                 
CONECT   10    9    6   45                                            
CONECT   11    7   12                                                 
CONECT   12   11   13   19                                            
CONECT   13   12   14                                                 
CONECT   14   13    8   18                                            
CONECT   15    1   16   34                                            
CONECT   16   15   17   32   33                                       
CONECT   17   16    2   26                                            
CONECT   18   14   35   38                                            
CONECT   19   12                                                      
CONECT   20    8                                                      
CONECT   21    4                                                      
CONECT   22    5                                                      
CONECT   23    3                                                      
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26   17   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27                                                      
CONECT   29   27   30   31                                            
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   16                                                      
CONECT   33   16                                                      
CONECT   34   15   41                                                 
CONECT   35   18   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   18                                                 
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41   34   42   43                                            
CONECT   42   41                                                      
CONECT   43   41   44                                                 
CONECT   44   43                                                      
CONECT   45   10   47                                                 
CONECT   46   47                                                      
CONECT   47   45   46   48                                            
CONECT   48   47                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END

$$$$

$$$$
D0K3ZB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   0.412   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.357  -1.238   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.357  -0.825   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.357   0.000   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.357   0.412   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.357   1.238   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.357   1.650   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.072   1.238   0.000  1.00  0.00           N  
HETATM   14  O   UNL     1       0.357   2.475   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.072  -1.238   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.072  -2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.786  -2.475   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.501  -2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.501  -1.238   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.786  -0.825   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1       0.357  -2.475   0.000  1.00  0.00          Cl  
HETATM   22  C   UNL     1       1.786   1.650   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.142   0.619   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.427   1.031   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   15                                            
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   22   24                                            
CONECT   14   12                                                      
CONECT   15    8   16   20                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   16                                                      
CONECT   22   13                                                      
CONECT   23   24                                                      
CONECT   24   13   23                                                 
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0K4BI
  -OEChem-09301911122D

 46 48  0     0  0  0  0  0  0999 V2000
    2.0000   -0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6065   -0.3047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1901    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6065    1.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9171    2.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9171   -1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382    3.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182    2.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9703    2.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3503    3.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5065    2.0626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1097    2.8446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3278    2.4479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3278   -1.4479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1097   -1.8446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5065   -1.0626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3 22  2  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  4 21  1  0  0  0  0
  5 14  1  0  0  0  0
  5 19  2  0  0  0  0
  6 15  2  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  7 42  1  0  0  0  0
  8 22  1  0  0  0  0
  8 43  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 44  1  0  0  0  0
 10 26  2  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 20  1  0  0  0  0
 16 19  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 45  1  0  0  0  0
 25 27  2  0  0  0  0
 25 46  1  0  0  0  0
M  END

$$$$
D0K4KM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.072  -0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.072  -1.238   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.357  -1.650   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.357  -1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.357  -0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.357   0.000   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.357   0.825   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.357   1.238   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       0.357   2.062   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1       1.072   0.825   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.786   1.238   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.786   0.000   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.501  -0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.786   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.501   1.238   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.501   2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.215   0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.215   0.000   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.930  -0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.930  -1.238   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.215  -1.650   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.501  -1.238   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.501   0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.215   1.238   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.215   2.062   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.501   2.475   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.786   2.062   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1       1.072   2.475   0.000  1.00  0.00           F  
HETATM   29 CL   UNL     1       3.930   2.475   0.000  1.00  0.00          Cl  
HETATM   30  O   UNL     1       1.072  -1.650   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       1.786  -1.238   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.501  -1.650   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       3.215  -1.238   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1       2.501  -2.475   0.000  1.00  0.00           O  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   30                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11                                                 
CONECT   11   10   23   27                                            
CONECT   12    1   13   14                                            
CONECT   13   12   18   22                                            
CONECT   14   12   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15                                                      
CONECT   17   15                                                      
CONECT   18   13   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   13                                                 
CONECT   23   11   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   11   28                                            
CONECT   28   27                                                      
CONECT   29   25                                                      
CONECT   30    4   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   34                                            
CONECT   33   32                                                      
CONECT   34   32                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0K4LQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.906  -1.115   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.081  -1.115   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.668  -0.400   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.081   0.314   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.906   0.314   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.318  -0.400   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.861  -0.229   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.775   0.592   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.529   0.927   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.061   1.004   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.061   1.829   0.000  1.00  0.00           O  
HETATM   12 CL   UNL     1      -3.318  -1.829   0.000  1.00  0.00          Cl  
HETATM   13  N   UNL     1       0.654   0.592   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.592  -0.231   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.197  -0.792   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.013  -0.669   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.425   0.045   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.124   0.813   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.335   1.056   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.565  -1.282   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       3.318  -0.947   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1       3.232  -0.126   0.000  1.00  0.00           S  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    4                                                 
CONECT   10    8   11   13                                            
CONECT   11   10                                                      
CONECT   12    1                                                      
CONECT   13   10   14   19                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   13                                                 
CONECT   20   16   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0K4LW
  -OEChem-09301911102D

 42 44  0     0  0  0  0  0  0999 V2000
   10.9055    0.4516    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3582   -0.1154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8669   -3.9070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.1634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891   -0.4244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -1.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071   -0.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6859   -2.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -1.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2791   -3.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1013   -0.7845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0524   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2603    0.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7955   -1.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2113    0.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7465   -0.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9545    0.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1999   -2.5311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1166   -1.7385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7336   -1.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7651   -2.7513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8484   -3.5440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6127   -1.1662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3924   -1.3319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.3534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7995    0.9175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6666   -1.7510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.7834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.9734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3402    1.4181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2073   -1.2504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6147   -4.4734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    4.4734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 10  1  0  0  0  0
  2 15  1  0  0  0  0
  3 14  1  0  0  0  0
  3 41  1  0  0  0  0
  4 26  1  0  0  0  0
  4 42  1  0  0  0  0
  5 26  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  8 22  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 17  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
 17 34  1  0  0  0  0
 18 21  1  0  0  0  0
 18 26  1  0  0  0  0
 19 23  1  0  0  0  0
 19 35  1  0  0  0  0
 20 24  2  0  0  0  0
 20 36  1  0  0  0  0
 21 22  2  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 25  2  0  0  0  0
 23 39  1  0  0  0  0
 24 25  1  0  0  0  0
 24 40  1  0  0  0  0
M  END

$$$$
D0K4SZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.113   0.339   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.399  -0.074   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.684   0.339   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.030  -0.074   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.745   0.339   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.459  -0.074   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.745   1.164   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       0.030  -0.899   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.327   1.135   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.151   1.179   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.446   0.408   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1      -2.805  -0.111   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.805  -0.936   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.519  -1.348   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.519  -2.173   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.805  -2.586   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.091  -2.173   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.091  -1.348   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -1.376  -2.586   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1       1.459  -0.899   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.174  -1.311   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.888  -0.899   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.888  -0.074   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.174   0.339   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1       3.603   0.339   0.000  1.00  0.00           F  
HETATM   26  C   UNL     1       3.603  -1.311   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.317  -0.899   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.190  -2.026   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.015  -2.026   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.603   1.871   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.317   1.459   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.015   2.586   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.888   2.284   0.000  1.00  0.00           C  
CONECT    1    2    9   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5   20   24                                            
CONECT    7    5                                                      
CONECT    8    4                                                      
CONECT    9    1   10                                                 
CONECT   10    9   11   30                                            
CONECT   11   10   12                                                 
CONECT   12   11    1   13                                            
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   13                                                 
CONECT   19   17                                                      
CONECT   20    6   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24   25                                            
CONECT   24   23    6                                                 
CONECT   25   23                                                      
CONECT   26   22   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26   29                                                 
CONECT   29   28   26                                                 
CONECT   30   10   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0K4UF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.119   1.631   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.294   1.631   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.881   0.917   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.294   0.202   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.119   0.202   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.531   0.917   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.057   0.917   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.428   1.584   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.213   1.329   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.213   0.504   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.428   0.249   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.927   1.742   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.642   1.329   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.642   0.504   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.927   0.092   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.357   0.092   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.173  -0.535   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.726  -1.149   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.532  -0.977   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1      -0.471  -1.933   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.336  -2.105   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.888  -1.492   0.000  1.00  0.00           C  
HETATM   23 CL   UNL     1       3.357   0.917   0.000  1.00  0.00          Cl  
HETATM   24 CL   UNL     1       2.531   2.346   0.000  1.00  0.00          Cl  
HETATM   25  C   UNL     1       1.695  -1.663   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.247  -1.050   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       1.992  -0.265   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       1.185  -0.094   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.633  -0.707   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.729  -1.762   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.146  -2.346   0.000  1.00  0.00           C  
HETATM   32 CL   UNL     2       3.270  -0.981   0.000  1.00  0.00          Cl  
CONECT    1    2    6   24                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   23                                            
CONECT    7    3    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11   15                                            
CONECT   11   10    7   17                                            
CONECT   12    9   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   10                                                 
CONECT   16   14                                                      
CONECT   17   11   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   21   31                                            
CONECT   21   20   22                                                 
CONECT   22   21   25   29                                            
CONECT   23    6                                                      
CONECT   24    1                                                      
CONECT   25   22   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   22                                                 
CONECT   30   31                                                      
CONECT   31   20   30                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0K4VT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.286   0.777   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.286  -0.048   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.572  -0.461   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.857  -0.048   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.857   0.777   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.572   1.189   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.212  -0.563   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.408  -0.379   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.050   0.364   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.408   1.107   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.212   1.291   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.015   1.816   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.527   2.437   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.286   2.113   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.775   0.364   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.188   1.079   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       0.775   1.793   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       0.107  -1.024   0.000  1.00  0.00           C  
HETATM   19  H   UNL     1      -2.572  -1.286   0.000  1.00  0.00           H  
HETATM   20  C   UNL     1      -0.195  -1.792   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.320  -2.437   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.135  -2.314   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.437  -1.546   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.922  -0.901   0.000  1.00  0.00           C  
HETATM   25  H   UNL     1       1.136  -0.104   0.000  1.00  0.00           H  
HETATM   26  N   UNL     1       1.857   0.930   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.572   0.517   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.286   0.930   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   19                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   18                                            
CONECT    9    8   10   15                                            
CONECT   10    9   11   12                                            
CONECT   11   10    5   14                                            
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   11                                                 
CONECT   15    9   16                                                 
CONECT   16   15   17   26                                            
CONECT   17   16                                                      
CONECT   18    8   20   24                                            
CONECT   19    3                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   18   25                                            
CONECT   25   24                                                      
CONECT   26   16   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0K4YF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.342   0.891   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.342   0.066   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.628  -0.347   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.913   0.066   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.913   0.891   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.628   1.303   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.129  -0.189   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.356   0.478   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.129   1.145   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.126   1.930   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.126  -0.974   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.933  -1.145   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       1.485  -0.532   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.188  -1.930   0.000  1.00  0.00           C  
HETATM   15  H   UNL     1      -1.628   2.128   0.000  1.00  0.00           H  
HETATM   16  H   UNL     1      -3.057   1.303   0.000  1.00  0.00           H  
HETATM   17  H   UNL     1      -1.628  -1.172   0.000  1.00  0.00           H  
HETATM   18  C   UNL     1       0.933   2.102   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.188   2.886   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.636   3.499   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.171   3.328   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.426   2.543   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.636  -2.543   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.891  -3.328   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.698  -3.499   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.250  -2.886   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.995  -2.102   0.000  1.00  0.00           C  
HETATM   28  H   UNL     1      -0.723   3.941   0.000  1.00  0.00           H  
HETATM   29  O   UNL     1       0.891   4.284   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       1.995   3.058   0.000  1.00  0.00           O  
HETATM   31  H   UNL     1       1.485   1.489   0.000  1.00  0.00           H  
HETATM   32  H   UNL     1       2.547  -1.489   0.000  1.00  0.00           H  
HETATM   33  O   UNL     1       3.057  -3.058   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1       1.953  -4.284   0.000  1.00  0.00           O  
HETATM   35  H   UNL     1       0.339  -3.941   0.000  1.00  0.00           H  
HETATM   36  O   UNL     1      -3.057   0.066   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1      -2.343  -0.347   0.000  1.00  0.00           C  
CONECT    1    2    6   16                                            
CONECT    2    1    3   36                                            
CONECT    3    2    4   17                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   15                                            
CONECT    7    4    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9   18   22                                            
CONECT   11    7   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12                                                      
CONECT   14   12   23   27                                            
CONECT   15    6                                                      
CONECT   16    1                                                      
CONECT   17    3                                                      
CONECT   18   10   19   31                                            
CONECT   19   18   20   30                                            
CONECT   20   19   21   29                                            
CONECT   21   20   22   28                                            
CONECT   22   21   10                                                 
CONECT   23   14   24                                                 
CONECT   24   23   25   35                                            
CONECT   25   24   26   34                                            
CONECT   26   25   27   33                                            
CONECT   27   26   14   32                                            
CONECT   28   21                                                      
CONECT   29   20                                                      
CONECT   30   19                                                      
CONECT   31   18                                                      
CONECT   32   27                                                      
CONECT   33   26                                                      
CONECT   34   25                                                      
CONECT   35   24                                                      
CONECT   36    2   37                                                 
CONECT   37   36                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0K5JG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429   1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.858   1.238   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.715   0.000   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.429  -0.412   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.143   0.000   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.143   0.825   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.429   1.238   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.715   0.825   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.000   1.238   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       2.858   1.238   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1       1.429  -1.238   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1      -1.429  -1.238   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1   18                                            
CONECT    7    2                                                      
CONECT    8    5    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11   17                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13    9   15                                            
CONECT   15   14                                                      
CONECT   16   12                                                      
CONECT   17   10                                                      
CONECT   18    6                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D0K5UR
  -OEChem-09301911292D

 51 53  0     0  0  0  0  0  0999 V2000
    5.4641    3.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    5.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -5.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -6.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    0.6074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    1.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    2.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    2.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -0.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -0.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    4.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    3.6074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3082   -6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -6.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5482   -6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 41  1  0  0  0  0
  2 13  2  0  0  0  0
  3 22  1  0  0  0  0
  3 24  1  0  0  0  0
  4 17  2  0  0  0  0
  5 25  1  0  0  0  0
  5 51  1  0  0  0  0
  6 25  2  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 17  1  0  0  0  0
  8 23  1  0  0  0  0
  8 42  1  0  0  0  0
  9 24  2  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 14  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 16  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 37  1  0  0  0  0
 19 21  2  0  0  0  0
 19 38  1  0  0  0  0
 20 22  2  0  0  0  0
 20 39  1  0  0  0  0
 21 22  1  0  0  0  0
 21 40  1  0  0  0  0
 23 25  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 26  1  0  0  0  0
 26 28  2  0  0  0  0
 26 45  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 28 46  1  0  0  0  0
 29 47  1  0  0  0  0
 30 48  1  0  0  0  0
 30 49  1  0  0  0  0
 30 50  1  0  0  0  0
M  END

$$$$
D0K5YJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.449   1.610   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.449   0.785   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.735   0.372   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.020   0.785   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.020   1.610   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.735   2.022   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -2.735   2.847   0.000  1.00  0.00           F  
HETATM    8  F   UNL     1      -2.735  -0.453   0.000  1.00  0.00           F  
HETATM    9  C   UNL     1      -1.306   0.372   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.306  -0.453   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.591  -0.865   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.123  -0.453   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.123   0.372   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.591   0.785   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.591   1.610   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1       0.838  -0.865   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.924  -1.686   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.731  -1.857   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.144  -1.143   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.591  -0.530   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.283  -2.470   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.037  -2.135   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1       2.950  -1.314   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.020  -0.865   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.020  -1.690   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.306  -2.103   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.591  -1.690   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.624  -2.847   0.000  1.00  0.00           C  
HETATM   29  S   UNL     1       3.037  -2.133   0.000  1.00  0.00           S  
HETATM   30  O   UNL     1       2.322  -1.720   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       3.449  -1.418   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    3                                                      
CONECT    9   10   14    4                                            
CONECT   10    9   11   24                                            
CONECT   11   10   12   27                                            
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13    9   15                                            
CONECT   15   14                                                      
CONECT   16   17   20   12                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20   23                                            
CONECT   20   19   16                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23   29                                            
CONECT   23   22   19                                                 
CONECT   24   10   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   11                                                 
CONECT   28   29                                                      
CONECT   29   22   28   30   31                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0K6CM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.820   1.376   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.606   0.579   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.809   0.366   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.226   0.949   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.440   1.746   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.237   1.960   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.596  -0.431   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.799  -0.644   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.216  -0.061   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.429   0.736   0.000  1.00  0.00           C  
HETATM   11  H   UNL     1      -1.643   1.533   0.000  1.00  0.00           H  
HETATM   12  C   UNL     1      -0.846   1.319   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.049   1.106   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.534   1.689   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.321   2.486   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.476   2.699   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.059   2.116   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.715   0.323   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.302  -0.391   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.523  -0.391   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.715  -1.106   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       0.935  -1.106   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.760  -1.106   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.173  -0.391   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.760   0.323   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.935   0.323   0.000  1.00  0.00           C  
HETATM   27  S   UNL     1       0.722   1.120   0.000  1.00  0.00           S  
HETATM   28  C   UNL     1       1.134   1.835   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       0.722  -1.903   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       0.935  -2.699   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.998  -0.391   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1       2.998  -1.213   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       3.820  -0.391   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       2.998   0.431   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   10   11                                       
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    4   12   18                                       
CONECT   11    4                                                      
CONECT   12   10   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   10   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   22   26                                            
CONECT   21   19                                                      
CONECT   22   20   23   29                                            
CONECT   23   22   24                                                 
CONECT   24   31   23   25                                            
CONECT   25   24   26                                                 
CONECT   26   25   20   27                                            
CONECT   27   26   28                                                 
CONECT   28   27                                                      
CONECT   29   22   30                                                 
CONECT   30   29                                                      
CONECT   31   32   33   34   24                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0K6GI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.476   1.593   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.476   0.768   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.762   0.356   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.047   0.768   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.047   1.593   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.762   2.006   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.333   2.006   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.382   1.593   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.333   2.831   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.191   0.356   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.905   0.768   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1      -3.191  -0.469   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.905  -0.882   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.730  -0.882   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.318  -1.596   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.382   0.768   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.096   0.356   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.811   0.768   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.811   1.593   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.096   2.006   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.595   0.513   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       3.080   1.181   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.595   1.848   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       3.905   1.181   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.318   1.895   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.318   0.466   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.730   1.181   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.809  -0.284   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.225  -0.867   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.429  -0.653   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.845  -1.237   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.059  -2.034   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.856  -2.247   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.439  -1.664   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1       0.262  -2.247   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1       0.845  -2.831   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   16   20                                            
CONECT    9    7                                                      
CONECT   10    2   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13   15                                                 
CONECT   15   14   13                                                 
CONECT   16    8   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20   23                                            
CONECT   20   19    8                                                 
CONECT   21   18   22   28                                            
CONECT   22   21   23   24                                            
CONECT   23   22   19                                                 
CONECT   24   22   25   26   27                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
CONECT   28   21   29                                                 
CONECT   29   28   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   35   36                                       
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   32                                                      
CONECT   36   32                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0K6HD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.078  -0.704   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.078  -1.529   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.363  -1.942   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.649  -1.529   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.649  -0.704   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.363  -0.292   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.934  -0.292   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.220  -0.704   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.220  -1.529   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.505  -1.942   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.209  -1.529   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.209  -0.704   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.505  -0.292   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.505   0.533   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.209   0.946   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.006   0.732   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.220   1.529   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.423   1.743   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.934   1.942   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       1.934   2.767   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1       2.649   1.529   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       3.363   1.942   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.078   1.529   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       4.792   1.942   0.000  1.00  0.00           O  
HETATM   25  I   UNL     1      -4.792  -1.942   0.000  1.00  0.00           I  
HETATM   26  F   UNL     1      -3.363   0.533   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1      -1.934  -1.942   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -0.505  -2.767   0.000  1.00  0.00           F  
HETATM   29  O   UNL     1      -1.220   0.946   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   25                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   26                                            
CONECT    7    5    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10   27                                            
CONECT   10    9   11   28                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8   14                                            
CONECT   14   13   15   29                                            
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   15                                                 
CONECT   19   17   20   21                                            
CONECT   20   19                                                      
CONECT   21   19   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23                                                      
CONECT   25    2                                                      
CONECT   26    6                                                      
CONECT   27    9                                                      
CONECT   28   10                                                      
CONECT   29   14                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0K6IM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.419   0.825   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       1.133   0.412   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       1.848   0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.562   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       3.277   0.825   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       3.991   0.412   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       4.077  -0.408   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       4.884  -0.580   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       5.297   0.135   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       4.745   0.748   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       0.419   1.650   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.296   0.412   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.010   0.825   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.725   0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.725  -0.412   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.010  -0.825   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.296  -0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.439   0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.154   0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.154  -0.412   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.439  -0.825   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.439   1.650   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.154   2.062   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.868   0.825   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.868  -0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.868  -1.650   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.582  -2.062   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.582  -2.888   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.868  -3.300   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.154  -2.888   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.154  -2.062   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.154   2.888   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.868   3.300   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.582   2.888   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.582   2.062   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.868   1.650   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1      -5.297   3.300   0.000  1.00  0.00           F  
CONECT    1    2   11   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7   10                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    6                                                 
CONECT   11    1                                                      
CONECT   12    1   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16   21                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   14   19   22                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21   25                                            
CONECT   21   20   15                                                 
CONECT   22   18   23                                                 
CONECT   23   22   32   36                                            
CONECT   24   19                                                      
CONECT   25   20   26                                                 
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   23   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   37                                            
CONECT   35   34   36                                                 
CONECT   36   35   23                                                 
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END

$$$$

$$$$

$$$$
D0K6TN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.429  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.715  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.000  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.715   0.206   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.715   1.031   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.715   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.715  -1.444   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.143  -1.444   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.429  -0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.143   0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.143   1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.429   1.444   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.715   1.031   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    5   11   15                                            
CONECT    9    4                                                      
CONECT   10    2                                                      
CONECT   11    8   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    8                                                 
MASTER        0    0    0    0    0    0    0    0   15    0   15    0
END
M  END

$$$$
D0K6XL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.988  -0.167   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.400   0.547   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.181   0.005   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.094   0.825   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.848   1.161   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.380   1.238   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.665   0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.951   1.238   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.951   2.062   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.665   2.475   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.380   2.062   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -3.094   2.475   0.000  1.00  0.00          Cl  
HETATM   13  N   UNL     1      -0.237   0.825   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.478   1.238   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.323  -0.921   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.192   0.825   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       0.478   2.062   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.192   0.000   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.907  -0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.621   0.000   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.621   0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.907   1.238   0.000  1.00  0.00           C  
HETATM   23 CL   UNL     1       1.907   2.062   0.000  1.00  0.00          Cl  
HETATM   24  N   UNL     1       3.336  -0.412   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       3.336  -1.238   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.050  -1.650   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       4.765  -1.238   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       4.765  -0.412   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.050   0.000   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.479  -1.650   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.479   0.000   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.050  -2.475   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       5.479  -2.475   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.144  -1.007   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.479  -1.761   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.994  -2.428   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.174  -2.342   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.838  -1.588   0.000  1.00  0.00           C  
HETATM   39  S   UNL     1      -3.018  -1.502   0.000  1.00  0.00           S  
CONECT    1    2    3   15                                            
CONECT    2    1    5                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    2                                                 
CONECT    6    4    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    6   12                                            
CONECT   12   11                                                      
CONECT   13    8   14                                                 
CONECT   14   13   16   17                                            
CONECT   15    1   34   38                                            
CONECT   16   14   18   22                                            
CONECT   17   14                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   16   23                                            
CONECT   23   22                                                      
CONECT   24   20   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   32                                            
CONECT   27   26   28   30                                            
CONECT   28   27   29   31                                            
CONECT   29   28   24                                                 
CONECT   30   27   33                                                 
CONECT   31   28                                                      
CONECT   32   26                                                      
CONECT   33   30                                                      
CONECT   34   15   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   15   39                                            
CONECT   39   38                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0K7CD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.616   1.131   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.616   0.306   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.902  -0.107   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.187   0.306   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.187   1.131   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.902   1.543   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.527  -0.107   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.242   0.306   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.242   1.131   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.527   1.543   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.331  -0.107   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.045   0.306   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.760  -0.107   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.760  -0.932   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.045  -1.344   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.331  -0.932   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.474  -1.344   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.474  -2.169   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.760  -2.582   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.270   2.582   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.371   1.683   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       4.068   0.931   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.474   0.227   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.067  -0.477   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.254  -0.477   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.836   0.248   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.243   0.952   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.021   0.248   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       1.605   0.969   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       0.783   0.969   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       0.369   0.252   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   21                                            
CONECT   11    2   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18                                                      
CONECT   20   21                                                      
CONECT   21   10   20   30                                            
CONECT   22   23   27                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   22                                                 
CONECT   28   26   29                                                 
CONECT   29   28   30                                                 
CONECT   30   21   29   31                                            
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0K7NC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.644  -1.004   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.644  -1.829   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.359  -2.242   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.074  -1.829   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.074  -1.004   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.359  -0.592   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       1.359   0.233   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.644   0.646   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.644   1.471   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.359   1.883   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.359   2.708   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.644   3.121   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.070   2.708   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.070   1.883   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.788  -0.592   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.502  -1.004   0.000  1.00  0.00           N  
HETATM   17 CL   UNL     1       1.359  -3.067   0.000  1.00  0.00          Cl  
HETATM   18  O   UNL     1      -0.070  -2.242   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.784  -1.829   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.871  -1.009   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.678  -0.837   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.090  -1.552   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.538  -2.165   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.897  -1.723   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.152  -2.508   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.600  -3.121   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.793  -2.949   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.449  -1.110   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.194  -0.325   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.746   0.288   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.553   0.116   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.808  -0.668   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.256  -1.282   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1      -4.511  -2.066   0.000  1.00  0.00           F  
HETATM   35  C   UNL     1       3.589  -1.825   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.396  -1.996   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.808  -1.282   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       4.256  -0.669   0.000  1.00  0.00           C  
HETATM   39  O   UNL     1       4.731  -2.750   0.000  1.00  0.00           O  
HETATM   40  C   UNL     1       2.072   3.121   0.000  1.00  0.00           C  
HETATM   41  N   UNL     1       2.897   3.121   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4   17                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   15                                            
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   40                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    5   16                                                 
CONECT   16   15   35   38                                            
CONECT   17    3                                                      
CONECT   18    2   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   19   27                                            
CONECT   24   22   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   23                                                 
CONECT   28   24   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   28   34                                            
CONECT   34   33                                                      
CONECT   35   16   36                                                 
CONECT   36   35   37   39                                            
CONECT   37   36   38                                                 
CONECT   38   37   16                                                 
CONECT   39   36                                                      
CONECT   40   11   41                                                 
CONECT   41   40                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D0K7XA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.649   0.498   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.563  -0.323   0.000  1.00  0.00           N  
HETATM    3  N   UNL     1       0.244  -0.494   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.656   0.220   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.104   0.834   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.176  -0.875   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.961  -0.620   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.574  -1.172   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.402  -1.979   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.618  -2.234   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.005  -1.682   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.938  -0.238   0.000  1.00  0.00           C  
HETATM   13 CL   UNL     1      -0.220  -1.937   0.000  1.00  0.00          Cl  
HETATM   14  C   UNL     1       0.391   1.641   0.000  1.00  0.00           C  
HETATM   15 CL   UNL     1      -3.015  -2.531   0.000  1.00  0.00          Cl  
HETATM   16  N   UNL     1       3.490  -0.851   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.364   0.910   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.450   1.731   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.257   1.902   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.669   1.188   0.000  1.00  0.00           C  
HETATM   21  S   UNL     1      -2.117   0.575   0.000  1.00  0.00           S  
HETATM   22  C   UNL     1      -3.490   1.102   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.902   1.816   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.727   1.816   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.140   2.531   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.965   2.531   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       3.233   0.533   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       4.315  -0.851   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.727  -1.565   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.552  -1.565   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.965  -0.851   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.552  -0.136   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.727  -0.136   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.477   0.307   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1       2.060  -0.277   0.000  1.00  0.00           N  
CONECT    1    2    5   17                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   34                                            
CONECT    5    4    1   14                                            
CONECT    6    2    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   15                                            
CONECT   10    9   11                                                 
CONECT   11   10    6   13                                            
CONECT   12   16   27   35                                            
CONECT   13   11                                                      
CONECT   14    5                                                      
CONECT   15    9                                                      
CONECT   16   12   28                                                 
CONECT   17    1   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   17                                                 
CONECT   22   20   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25                                                      
CONECT   27   12                                                      
CONECT   28   16   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34    4   35                                                 
CONECT   35   34   12                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0K8EF
  -OEChem-09301911282D

 84 89  0     0  0  0  0  0  0999 V2000
    4.1993    2.4050    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6634   -4.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9313   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5294   -7.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6634   -0.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5294    0.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4756   -0.3997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4756    1.2097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2857    5.8117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0948    4.4105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6166    5.0686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1166    4.2026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6634   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5294   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7974   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6634   -3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5294   -3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7974   -3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5294   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7974   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7974    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6634    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5294   -5.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5294   -6.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6634    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9313    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5294    2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0592    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5294   -6.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5294   -6.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9313    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5294    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0653    2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7974    2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3954    4.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0653    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7974    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9313    4.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9313    5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0653    5.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7974    5.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0653    6.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7974    6.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1993    5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9313    7.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2003   -1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1400   -2.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7415   -1.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5853   -1.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1868   -2.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2003   -3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7415   -3.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1400   -2.9873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1868   -2.9873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5853   -3.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1400   -5.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7415   -4.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4513    2.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0528    2.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3208    1.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7193    0.8224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7415    2.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1400    3.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6792    0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5294   -6.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1494   -6.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5294   -5.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5294   -5.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9094   -6.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5294   -6.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3174    4.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9188    3.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0663   -7.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3343    2.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7054    3.8681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9324    4.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0854    4.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5284    4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3343    4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3343    5.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5284    7.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3343    7.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9313    8.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    5.1334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 33  1  0  0  0  0
  2 16  1  0  0  0  0
  2 23  1  0  0  0  0
  3 20  2  0  0  0  0
  4 24  1  0  0  0  0
  4 73  1  0  0  0  0
  5 13  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  6 22  1  0  0  0  0
  7 19  2  0  0  0  0
  7 28  1  0  0  0  0
  8 28  2  0  0  0  0
  9 11  1  0  0  0  0
  9 44  2  0  0  0  0
 10 12  2  0  0  0  0
 10 44  1  0  0  0  0
 11 12  1  0  0  0  0
 11 84  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 46  1  0  0  0  0
 14 17  1  0  0  0  0
 14 47  1  0  0  0  0
 14 48  1  0  0  0  0
 15 18  1  0  0  0  0
 15 49  1  0  0  0  0
 15 50  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 51  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 23 56  1  0  0  0  0
 23 57  1  0  0  0  0
 24 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 27  1  0  0  0  0
 25 58  1  0  0  0  0
 25 59  1  0  0  0  0
 26 31  1  0  0  0  0
 26 60  1  0  0  0  0
 26 61  1  0  0  0  0
 27 32  1  0  0  0  0
 27 62  1  0  0  0  0
 27 63  1  0  0  0  0
 28 64  1  0  0  0  0
 29 65  1  0  0  0  0
 29 66  1  0  0  0  0
 29 67  1  0  0  0  0
 30 68  1  0  0  0  0
 30 69  1  0  0  0  0
 30 70  1  0  0  0  0
 31 33  2  0  0  0  0
 31 34  1  0  0  0  0
 32 35  1  0  0  0  0
 32 71  1  0  0  0  0
 32 72  1  0  0  0  0
 33 36  1  0  0  0  0
 34 37  2  0  0  0  0
 34 74  1  0  0  0  0
 35 75  1  0  0  0  0
 35 76  1  0  0  0  0
 35 77  1  0  0  0  0
 36 38  2  0  0  0  0
 36 78  1  0  0  0  0
 37 38  1  0  0  0  0
 37 79  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
 40 42  2  0  0  0  0
 40 44  1  0  0  0  0
 41 43  1  0  0  0  0
 41 80  1  0  0  0  0
 42 45  1  0  0  0  0
 42 81  1  0  0  0  0
 43 45  2  0  0  0  0
 43 82  1  0  0  0  0
 45 83  1  0  0  0  0
M  END

$$$$
D0K8EV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.635  -1.515   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.635  -2.340   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.080  -2.753   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.794  -2.340   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.794  -1.515   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.080  -1.103   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.579  -2.595   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.063  -1.928   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.579  -1.260   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.080  -0.278   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.794   0.135   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.794   0.960   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.080   1.372   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.635   0.960   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.635   0.135   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.080   2.197   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.747   2.682   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.492   3.467   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1      -0.333   3.467   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1      -0.588   2.682   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.349  -2.753   0.000  1.00  0.00           C  
HETATM   22  F   UNL     1      -1.762  -2.039   0.000  1.00  0.00           F  
HETATM   23  F   UNL     1      -2.063  -3.165   0.000  1.00  0.00           F  
HETATM   24  F   UNL     1      -0.937  -3.467   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   21                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    6   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   16                                                 
CONECT   21   22   23   24    2                                       
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24   21                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0K8FK
  -OEChem-09301911122D

 65 68  0     0  0  0  0  0  0999 V2000
    7.3815    5.5170    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4245    5.1046    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4315    0.6388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -2.1274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7852    1.1769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7260   -1.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7260   -1.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -0.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4530   -3.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2260   -0.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2260   -2.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4530    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7852   -3.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0958   -4.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8067   -3.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0958    2.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4280   -5.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1388   -4.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4280    2.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3460   -1.3227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7629   -0.7666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6890   -0.1466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5360   -2.7256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 33  1  0  0  0  0
  2 35  1  0  0  0  0
  3 19  1  0  0  0  0
  3 24  1  0  0  0  0
  4 17  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  6 17  1  0  0  0  0
  6 23  1  0  0  0  0
  6 48  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 36  1  0  0  0  0
  9 11  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 16  1  0  0  0  0
 12 18  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 19  2  0  0  0  0
 15 45  1  0  0  0  0
 16 20  2  0  0  0  0
 16 46  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 20 47  1  0  0  0  0
 21 25  1  0  0  0  0
 21 49  1  0  0  0  0
 22 26  2  0  0  0  0
 22 50  1  0  0  0  0
 23 27  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
 24 29  1  0  0  0  0
 24 53  1  0  0  0  0
 24 54  1  0  0  0  0
 25 28  2  0  0  0  0
 25 55  1  0  0  0  0
 26 28  1  0  0  0  0
 26 56  1  0  0  0  0
 27 30  2  0  0  0  0
 27 31  1  0  0  0  0
 28 57  1  0  0  0  0
 29 32  1  0  0  0  0
 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
 30 33  1  0  0  0  0
 30 60  1  0  0  0  0
 31 34  2  0  0  0  0
 31 61  1  0  0  0  0
 32 62  1  0  0  0  0
 32 63  1  0  0  0  0
 32 64  1  0  0  0  0
 33 35  2  0  0  0  0
 34 35  1  0  0  0  0
 34 65  1  0  0  0  0
M  END

$$$$
D0K8GC
  -OEChem-09301911192D

 50 53  0     1  0  0  0  0  0999 V2000
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   11.0155    2.8811    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.6624    1.6235    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7156    1.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1222   -0.1873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4325   -1.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7930    0.3697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4120   -1.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0901   -0.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4048    0.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7715   -0.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0795   -2.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0768    0.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7102    1.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0471    0.5044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6420    2.5155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6063    1.6394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8515    0.9385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3205    1.6794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5797    2.1484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6309   -2.1858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6083    0.9615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4842   -0.2678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1881   -1.1753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6171   -2.4680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6664   -3.3434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5418   -3.2942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6828    0.3673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1 24  1  0  0  0  0
  1 28  1  0  0  0  0
  2 30  1  0  0  0  0
  3 30  1  0  0  0  0
  4 30  1  0  0  0  0
  7 12  1  0  0  0  0
  7 15  1  0  0  0  0
  7 21  1  0  0  0  0
  8 14  1  0  0  0  0
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  9 14  2  0  0  0  0
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 10 21  1  0  0  0  0
 10 26  2  0  0  0  0
 11 21  2  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
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 12 31  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 22 24  2  0  0  0  0
 22 43  1  0  0  0  0
 23 25  2  0  0  0  0
 23 44  1  0  0  0  0
 24 25  1  0  0  0  0
 25 45  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 29  2  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
 29 50  1  0  0  0  0
M  END

$$$$
D0K8HU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.724  -1.541   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.724  -2.366   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.009  -2.778   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.295  -2.366   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.295  -1.541   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.009  -1.128   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.580  -2.778   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.866  -2.366   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.151  -2.778   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.437  -2.366   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.437  -1.541   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.151  -1.128   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.866  -1.541   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.009  -0.303   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.278  -1.128   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.992  -1.541   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       0.278  -0.303   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.706  -1.128   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.421  -1.541   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.135  -1.128   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.135  -0.303   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.421   0.109   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.706  -0.303   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.992   0.109   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.295   0.109   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.295   0.934   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.009   1.347   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.724   0.934   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.724   0.109   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -5.508  -1.286   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -5.993  -1.953   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1      -5.508  -2.621   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       3.850  -1.541   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       4.564  -1.128   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       5.279  -1.541   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       5.993  -1.128   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1       5.993  -0.303   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1       5.279   0.109   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       4.564  -0.303   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.763  -3.405   0.000  1.00  0.00           C  
HETATM   41  O   UNL     1      -4.009   2.172   0.000  1.00  0.00           O  
HETATM   42  C   UNL     1      -4.721   2.583   0.000  1.00  0.00           C  
HETATM   43  F   UNL     1      -5.433   2.994   0.000  1.00  0.00           F  
HETATM   44  F   UNL     1      -5.433   2.172   0.000  1.00  0.00           F  
HETATM   45  F   UNL     1      -4.721   3.405   0.000  1.00  0.00           F  
CONECT    1    2    6   30                                            
CONECT    2    1    3   32                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   14                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    6   25   29                                            
CONECT   15   11   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   33                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18   24                                            
CONECT   24   23                                                      
CONECT   25   14   26                                                 
CONECT   26   25   27                                                 
CONECT   27   41   26   28                                            
CONECT   28   27   29                                                 
CONECT   29   28   14                                                 
CONECT   30    1   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31    2   40                                            
CONECT   33   20   34                                                 
CONECT   34   33   35   39                                            
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   34                                                 
CONECT   40   32                                                      
CONECT   41   42   27                                                 
CONECT   42   43   44   45   41                                       
CONECT   43   42                                                      
CONECT   44   42                                                      
CONECT   45   42                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
M  END

$$$$
D0K8XT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.665   2.648   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.665   1.823   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.380   1.411   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       3.094   1.823   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       3.094   2.648   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.380   3.061   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.380   0.586   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.665   0.173   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.665  -0.652   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.380  -1.064   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.094  -0.652   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.094   0.173   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.951   1.411   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.236   1.823   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.478   1.411   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.236   2.648   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.232   1.746   0.000  1.00  0.00           C  
HETATM   18  S   UNL     1      -1.784   1.133   0.000  1.00  0.00           S  
HETATM   19  C   UNL     1      -1.371   0.419   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.564   0.590   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.707  -0.335   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.380   3.886   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1      -2.514  -0.506   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1      -2.600  -1.327   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.846  -1.662   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.294  -1.049   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.665  -1.477   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.665  -2.302   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.380  -2.714   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       3.094  -2.302   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       3.094  -1.477   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.676  -2.468   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1      -0.258  -2.468   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -1.676  -3.886   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -3.094  -2.468   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   22                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   27   31                                       
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    2   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   17   20                                            
CONECT   16   14                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   15                                                 
CONECT   21   19   23   26                                            
CONECT   22    6                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   32                                            
CONECT   26   25   21                                                 
CONECT   27   10   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   10                                                 
CONECT   32   33   34   35   25                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END

$$$$

$$$$

$$$$
D0K9QH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.786  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.501   0.619   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.072  -1.031   0.000  1.00  0.00           N  
HETATM    8  S   UNL     1      -0.357  -0.619   0.000  1.00  0.00           S  
HETATM    9  C   UNL     1      -0.357   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.072   0.619   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.072   1.444   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       0.440  -0.405   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.144  -1.416   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.072  -1.856   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.357   0.619   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.072   0.206   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       0.357   1.444   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.786   0.619   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.501   0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.215   0.619   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.215   1.444   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.501   1.856   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.786   1.444   0.000  1.00  0.00           C  
HETATM   24 CL   UNL     1       2.501  -0.619   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   14                                            
CONECT    8    7    9   12   13                                       
CONECT    9    8   10   15                                            
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    8                                                      
CONECT   13    8                                                      
CONECT   14    7                                                      
CONECT   15    9   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   19   23                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   19                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0KA3L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.841   0.428   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.127   0.841   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.412   0.428   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.302   0.841   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       1.016   0.428   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.556   0.841   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.731   0.841   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.556   0.841   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       2.143   1.556   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       3.270   0.428   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       3.270  -0.397   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       3.985   0.841   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1       1.016  -0.397   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1      -1.127   1.666   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.412  -0.397   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.556   1.666   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.270   2.079   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.985   1.666   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.985   0.841   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.270   0.428   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.127  -0.809   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.952  -0.809   0.000  1.00  0.00           C  
HETATM   23  S   UNL     1      -2.207  -1.594   0.000  1.00  0.00           S  
HETATM   24  C   UNL     1      -1.540  -2.079   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.872  -1.594   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   14                                            
CONECT    3    2    4   15                                            
CONECT    4    3    5                                                 
CONECT    5    4    7   13                                            
CONECT    6    1   16   20                                            
CONECT    7    5    8    9                                            
CONECT    8    7    9   10                                            
CONECT    9    8    7                                                 
CONECT   10    8   11   12                                            
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13    5                                                      
CONECT   14    2                                                      
CONECT   15    3   21                                                 
CONECT   16    6   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19    6                                                 
CONECT   21   15   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0KA3X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.429   0.825   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.429   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143   2.062   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.143  -0.412   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.429  -0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.858  -0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.572  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.287  -0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.287  -1.650   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.572  -2.062   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.858  -1.650   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.714  -0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.000  -0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.714  -0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.429  -0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.143  -0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.858  -0.825   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.572  -0.412   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1       2.858  -1.650   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       4.287  -0.825   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8    9                                            
CONECT    8    7   15                                                 
CONECT    9    7   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    8   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   23                                                 
CONECT   22   20                                                      
CONECT   23   21                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0KA7I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.501  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.501  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       3.216  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       3.930  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       3.930  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.216   0.206   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       1.787   0.206   0.000  1.00  0.00           O  
HETATM    8 CL   UNL     1       1.787  -1.444   0.000  1.00  0.00          Cl  
HETATM    9  O   UNL     1       4.645   0.206   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       4.645  -1.444   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       4.645  -2.269   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       4.645   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       5.359   1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       6.074   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       6.788   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       6.788   2.269   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       6.074   2.681   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       5.359   2.269   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.930  -2.681   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.930  -3.506   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.645  -3.919   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       5.359  -3.506   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       5.359  -2.681   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       6.074  -2.269   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       6.074  -1.444   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1       6.788  -2.681   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       1.072  -0.206   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.358   0.206   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.358   1.031   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.356   1.444   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.071   1.031   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.071   0.206   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.356  -0.206   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.356  -1.031   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.786  -0.206   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.500   0.206   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.214  -0.206   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.214  -1.031   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.500  -1.444   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.786  -1.031   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.500   1.031   0.000  1.00  0.00           C  
HETATM   42  O   UNL     1      -3.929   0.206   0.000  1.00  0.00           O  
HETATM   43  C   UNL     1      -3.929   1.031   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.643   1.444   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1      -4.643   2.269   0.000  1.00  0.00           C  
HETATM   46  N   UNL     1      -5.358   2.681   0.000  1.00  0.00           N  
HETATM   47  C   UNL     1      -5.358   3.506   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1      -6.072   3.919   0.000  1.00  0.00           C  
HETATM   49  C   UNL     1      -6.787   3.506   0.000  1.00  0.00           C  
HETATM   50  C   UNL     1      -6.787   2.681   0.000  1.00  0.00           C  
HETATM   51  C   UNL     1      -6.072   2.269   0.000  1.00  0.00           C  
HETATM   52  O   UNL     1      -7.501   3.919   0.000  1.00  0.00           O  
HETATM   53  C   UNL     1       7.501   1.034   0.000  1.00  0.00           C  
HETATM   54  N   UNL     1       6.676   1.034   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    1   27                                                 
CONECT    8    2                                                      
CONECT    9    5   12                                                 
CONECT   10    4   11                                                 
CONECT   11   10   19   23                                            
CONECT   12    9   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   53                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   11   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   11   24                                            
CONECT   24   23   25   26                                            
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27    7   28                                                 
CONECT   28   27   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   35                                            
CONECT   33   32   28   34                                            
CONECT   34   33                                                      
CONECT   35   32   36   40                                            
CONECT   36   35   37   41                                            
CONECT   37   36   38   42                                            
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   35                                                 
CONECT   41   36                                                      
CONECT   42   37   43                                                 
CONECT   43   42   44                                                 
CONECT   44   43   45                                                 
CONECT   45   44   46                                                 
CONECT   46   45   47   51                                            
CONECT   47   46   48                                                 
CONECT   48   47   49                                                 
CONECT   49   48   50   52                                            
CONECT   50   49   51                                                 
CONECT   51   50   46                                                 
CONECT   52   49                                                      
CONECT   53   15   54                                                 
CONECT   54   53                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
M  END

$$$$
D0KB2Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.617   0.619   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.097   0.206   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.812   0.619   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       1.526   0.206   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.241   0.619   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       0.812   1.444   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1       2.955   0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.670   0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.670   1.444   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.955   1.856   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.241   1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.955  -0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.670  -1.031   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       4.384  -0.619   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       4.384   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.670  -1.856   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.703   1.439   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.510   1.611   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.923   0.896   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.371   0.283   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.743   0.810   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.228   1.478   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.049   1.391   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.384   0.638   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.899  -0.030   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.079   0.056   0.000  1.00  0.00           C  
HETATM   27  H   UNL     1      -4.235  -0.783   0.000  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.594  -0.611   0.000  1.00  0.00           H  
HETATM   29  F   UNL     1       1.526   1.856   0.000  1.00  0.00           F  
CONECT    1    2   17   20                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4    7   11                                            
CONECT    6    3                                                      
CONECT    7    5    8   12                                            
CONECT    8    7    9   15                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    5   29                                            
CONECT   12    7   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14    8                                                 
CONECT   16   13                                                      
CONECT   17    1   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19    1                                                 
CONECT   21   19   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   21   28                                            
CONECT   27   25                                                      
CONECT   28   26                                                      
CONECT   29   11                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0KB4T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.801   0.160   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.976   0.160   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.564   0.875   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.976   1.589   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.801   1.589   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.214   0.875   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.039   0.875   0.000  1.00  0.00           C  
HETATM    8  S   UNL     1      -3.214  -0.554   0.000  1.00  0.00           S  
HETATM    9  O   UNL     1      -2.631  -1.138   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1      -3.797   0.029   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1      -3.797  -1.138   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.594  -0.924   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.178  -1.508   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.964  -2.304   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -4.167  -2.518   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.584  -1.935   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.739   0.875   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.326   0.160   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.739  -0.554   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       0.499   0.160   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.984  -0.507   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.768  -0.252   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1       1.768   0.573   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       0.984   0.828   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.436   1.058   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.189   0.722   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.857   1.207   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.771   2.027   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.017   2.363   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.349   1.878   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       4.463   2.518   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       5.178   2.106   0.000  1.00  0.00           C  
CONECT    1    2    6    8                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   17                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    1    9   10   11                                       
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11    8   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    3   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   20                                                 
CONECT   25   23   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   28   32                                                 
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0KC6Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.844   0.108   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.431  -0.607   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.606  -0.607   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.194   0.108   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.606   0.822   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.431   0.822   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.387   0.279   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.301   1.100   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.054   1.436   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.586   1.512   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.872   1.100   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.157   1.512   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.157   2.337   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.872   2.750   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.586   2.337   0.000  1.00  0.00           C  
HETATM   16 CL   UNL     1      -2.301   2.750   0.000  1.00  0.00          Cl  
HETATM   17  N   UNL     1       0.557   1.100   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.272   1.512   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.986   1.100   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.701   1.512   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.701   2.337   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       1.986   2.750   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       1.272   2.337   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.986   0.275   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.701  -0.138   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.415   0.275   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.415   1.100   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       4.129   1.512   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       4.844   1.100   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       2.701  -0.963   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       3.415  -1.375   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1      -4.844  -1.321   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.431  -2.035   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.844  -2.750   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.606  -2.035   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   32                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10   16                                            
CONECT   16   15                                                      
CONECT   17   12   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21   27                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   19   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   20   28                                            
CONECT   28   27   29                                                 
CONECT   29   28                                                      
CONECT   30   25   31                                                 
CONECT   31   30                                                      
CONECT   32    2   33                                                 
CONECT   33   32   34   35                                            
CONECT   34   33                                                      
CONECT   35   33                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0KC8X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.931  -1.240   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.931  -2.065   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.216  -2.478   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.502  -2.065   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.502  -1.240   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.216  -0.828   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.787  -0.828   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.073  -1.240   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -0.787  -0.003   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       0.642  -0.828   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.395  -1.163   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.948  -0.550   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.535   0.164   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.728  -0.007   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.645  -0.828   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.567  -1.970   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.954  -2.522   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.125  -3.329   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.910  -3.584   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.523  -3.032   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.352  -2.225   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.731  -0.007   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1      -4.538   0.165   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.951  -0.550   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.399  -1.163   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.874   0.918   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.790   0.949   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.238   1.562   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.431   1.391   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.176   0.606   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.651   2.276   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.476   2.276   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       2.888   2.991   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1       3.713   2.991   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1       4.126   3.705   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1       4.951   3.705   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1       4.126   2.276   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1      -3.646  -2.478   0.000  1.00  0.00           C  
HETATM   39  F   UNL     1      -2.937  -3.705   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1      -4.873  -3.187   0.000  1.00  0.00           F  
HETATM   41  F   UNL     1      -4.354  -1.250   0.000  1.00  0.00           F  
CONECT    1    2    6   15                                            
CONECT    2    1    3   38                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   14                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   27                                            
CONECT   14   13   10   30                                            
CONECT   15    1   22   25                                            
CONECT   16   11   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   15   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   15                                                 
CONECT   26   23                                                      
CONECT   27   13   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   14                                                 
CONECT   31   28   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   37                                            
CONECT   35   34   36                                                 
CONECT   36   35                                                      
CONECT   37   34                                                      
CONECT   38   39   40   41    2                                       
CONECT   39   38                                                      
CONECT   40   38                                                      
CONECT   41   38                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END

$$$$

$$$$
D0KD5X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.002  -0.537   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.915  -1.358   0.000  1.00  0.00           N  
HETATM    3  N   UNL     1      -0.108  -1.529   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.304  -0.815   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.248  -0.202   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.528  -1.910   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.313  -1.655   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.926  -2.207   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.755  -3.014   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.970  -3.269   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.357  -2.717   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -0.572  -2.971   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1       0.038   0.605   0.000  1.00  0.00           C  
HETATM   14 CL   UNL     1      -3.368  -3.566   0.000  1.00  0.00          Cl  
HETATM   15  C   UNL     1       1.125  -0.728   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       1.677  -1.341   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       2.430  -1.006   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.344  -0.185   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1       1.537  -0.014   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.716  -0.125   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.716   0.700   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.430   1.113   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.145   0.700   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.145  -0.125   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.430  -0.537   0.000  1.00  0.00           C  
HETATM   26 CL   UNL     1      -3.859   1.113   0.000  1.00  0.00          Cl  
HETATM   27  C   UNL     1       3.145  -1.418   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.859  -1.006   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.145  -2.243   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.859  -1.831   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -0.497   1.233   0.000  1.00  0.00           N  
HETATM   32  O   UNL     1       0.850   0.755   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -0.222   2.011   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       0.590   2.161   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       0.865   2.938   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       0.330   3.566   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.481   3.416   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.757   2.638   0.000  1.00  0.00           C  
CONECT    1    2    5   20                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   15                                            
CONECT    5    4    1   13                                            
CONECT    6    2    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10    6   12                                            
CONECT   12   11                                                      
CONECT   13    5   31   32                                            
CONECT   14    9                                                      
CONECT   15    4   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   27                                            
CONECT   18   17   19                                                 
CONECT   19   18   15                                                 
CONECT   20    1   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23                                                      
CONECT   27   17   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
CONECT   31   13   33                                                 
CONECT   32   13                                                      
CONECT   33   31   34   38                                            
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   33                                                 
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0KE8U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.150   1.513   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.150   0.688   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.864   0.275   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       3.579   0.688   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       3.579   1.513   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.864   1.925   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       4.293   0.275   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       4.379  -0.545   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       5.186  -0.717   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       5.599  -0.002   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       5.047   0.611   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       6.424  -0.002   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.796  -1.129   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       2.999  -0.915   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1       4.010  -1.925   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1       1.435   0.275   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       0.721   0.688   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.006   0.275   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.708   0.688   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.423   0.275   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.137   0.688   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.852   0.275   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.566   0.688   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.280   0.275   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.995   0.688   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.995   1.513   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.709   1.925   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.424   1.513   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.424   0.688   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.709   0.275   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       0.721   1.513   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   16                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10    7                                                 
CONECT   12   10                                                      
CONECT   13    8   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16    2   17                                                 
CONECT   17   16   18   31                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   17                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0KF0D
  -OEChem-09301911122D

 23 24  0     0  0  0  0  0  0999 V2000
    7.8003    1.2723    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.0682   -0.7277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381   -0.7519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -0.7277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4597   -2.2723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    0.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022   -0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    1.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -0.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    1.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -0.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    0.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    2.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343   -0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3198   -1.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154    1.9269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665    1.1052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6882    2.2723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    2.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4482    2.2723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8603   -2.0661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  7  1  0  0  0  0
  2 15  1  0  0  0  0
  3 11  1  0  0  0  0
  3 23  1  0  0  0  0
  4 15  2  0  0  0  0
  5 16  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  2  0  0  0  0
  9 16  1  0  0  0  0
 10 13  2  0  0  0  0
 10 17  1  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
 16 22  1  0  0  0  0
M  END

$$$$
D0KF0X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.497  -1.209   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.783  -0.797   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.068  -1.209   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.646  -0.797   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.646   0.028   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.068   0.441   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.783   0.028   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.361   0.441   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       2.075   0.028   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       2.790   0.441   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.790   1.266   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.075   1.678   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.361   1.266   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       3.574   0.186   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       4.059   0.853   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.574   1.521   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.068   1.266   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       3.987  -0.529   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.856   1.067   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       5.070   1.864   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       4.486   2.447   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       3.689   2.233   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.212  -0.797   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.926  -1.209   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.641  -0.797   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.355  -1.209   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.355  -2.034   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.641  -2.447   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.926  -2.034   0.000  1.00  0.00           C  
HETATM   30 CL   UNL     1      -5.070  -2.447   0.000  1.00  0.00          Cl  
CONECT    1    2   23                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    7   17                                            
CONECT    7    6    2                                                 
CONECT    8    5    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15   18                                            
CONECT   15   14   16   19                                            
CONECT   16   15   11   22                                            
CONECT   17    6                                                      
CONECT   18   14                                                      
CONECT   19   15   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   16                                                 
CONECT   23    1   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0KF3A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.117  -0.247   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.117  -1.072   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.402  -1.484   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.688  -1.072   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.688  -0.247   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.402   0.166   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -2.903  -1.327   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1      -2.418  -0.659   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.903   0.008   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -1.593  -0.659   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.181   0.055   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.356   0.055   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1      -1.593   0.770   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.057  -0.659   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.881  -0.659   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.294   0.055   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.881   0.770   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.057   0.770   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.119   0.055   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.531  -0.659   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       3.357  -0.659   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.769   0.055   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.357   0.770   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.531   0.770   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1       2.119   1.484   0.000  1.00  0.00           F  
HETATM   26  C   UNL     1       4.594   0.055   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       5.006   0.770   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       5.006  -0.659   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       5.832  -0.659   0.000  1.00  0.00           O  
HETATM   30  F   UNL     1      -5.832   0.166   0.000  1.00  0.00           F  
HETATM   31  H   UNL     1      -5.832  -1.484   0.000  1.00  0.00           H  
HETATM   32  C   UNL     1      -0.356  -1.374   0.000  1.00  0.00           C  
CONECT    1    2    6   30                                            
CONECT    2    1    3   31                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11   14   18                                            
CONECT   13   11                                                      
CONECT   14   12   15   32                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   12                                                 
CONECT   19   16   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   19   25                                            
CONECT   25   24                                                      
CONECT   26   22   27   28                                            
CONECT   27   26                                                      
CONECT   28   26   29                                                 
CONECT   29   28                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32   14                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0KF8C
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.348   2.062   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.348   1.238   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.063   0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.777   1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.777   2.062   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.063   2.475   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.063   0.000   0.000  1.00  0.00           N  
HETATM    8  S   UNL     1       1.777  -0.412   0.000  1.00  0.00           S  
HETATM    9 CL   UNL     1       1.063   3.300   0.000  1.00  0.00          Cl  
HETATM   10  N   UNL     1      -0.366   2.475   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.081   2.062   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.834   2.398   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.386   1.785   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.974   1.071   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.167   1.242   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.207   1.871   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.006   3.205   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       2.190   0.302   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       1.365  -1.127   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       2.492  -0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.492  -1.650   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.778  -2.062   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.778  -2.887   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.492  -3.300   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.207  -2.887   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.207  -2.062   0.000  1.00  0.00           C  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    9                                            
CONECT    7    3    8                                                 
CONECT    8    7   18   19   20                                       
CONECT    9    6                                                      
CONECT   10    1   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16   13                                                      
CONECT   17   12                                                      
CONECT   18    8                                                      
CONECT   19    8                                                      
CONECT   20    8   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0KF8H
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.035   0.110   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.035  -0.715   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.320  -1.127   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.394  -0.715   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.394   0.110   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.320   0.523   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.819   0.365   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.304  -0.302   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.819  -0.970   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1       1.109   0.523   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.823   0.110   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.910  -0.710   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.717  -0.882   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       3.129  -0.167   0.000  1.00  0.00           N  
HETATM   15  N   UNL     1       2.577   0.446   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.074   1.150   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.522   1.763   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.715   1.591   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.163   2.205   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.418   2.989   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.225   3.161   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.777   2.548   0.000  1.00  0.00           C  
HETATM   23  F   UNL     1      -2.584   2.719   0.000  1.00  0.00           F  
HETATM   24  F   UNL     1       0.134   3.602   0.000  1.00  0.00           F  
HETATM   25  C   UNL     1      -3.129  -0.302   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.320  -1.952   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       0.394  -2.365   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       0.394  -3.190   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.109  -3.602   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       1.823  -3.190   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       1.823  -2.365   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.109  -1.952   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.052  -1.635   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   26                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    1    8   16                                            
CONECT    8    7    9   25                                            
CONECT    9    8    2                                                 
CONECT   10    5   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   33                                            
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16    7   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   17   23                                            
CONECT   23   22                                                      
CONECT   24   20                                                      
CONECT   25    8                                                      
CONECT   26    3   27                                                 
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   13                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0KG1T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.238  -0.846   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.244  -0.021   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.031   0.228   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.511  -0.443   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.021  -1.106   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.635   0.536   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.812   1.341   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.599   1.591   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.208   1.034   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.187  -1.915   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.570  -2.462   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.787  -2.202   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.621  -1.393   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.162  -1.133   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.876  -1.545   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.962  -2.366   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       1.769  -2.537   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       2.182  -1.823   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.630  -1.210   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.776   2.396   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.203   1.898   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.228   3.013   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.646   3.725   0.000  1.00  0.00           O  
HETATM   24  N   UNL     1      -2.452   3.547   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.532   2.726   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.594   1.684   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.407   2.933   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.244   2.309   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.735  -3.270   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.989  -1.651   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.244  -0.867   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.692  -0.254   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.885  -0.425   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       0.349  -2.918   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       0.521  -3.725   0.000  1.00  0.00           C  
CONECT    1    2    5   13                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    1   10                                            
CONECT    6    2    7                                                 
CONECT    7    6    8   21                                            
CONECT    8    7    9   20                                            
CONECT    9    8    3                                                 
CONECT   10    5   11                                                 
CONECT   11   10   12   29                                            
CONECT   12   11   13                                                 
CONECT   13   12    1   14                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17   34                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   30                                            
CONECT   19   18   15   33                                            
CONECT   20    8   22   25                                            
CONECT   21    7   26                                                 
CONECT   22   20   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20   28                                            
CONECT   26   21                                                      
CONECT   27   22                                                      
CONECT   28   25                                                      
CONECT   29   11                                                      
CONECT   30   18   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   19                                                 
CONECT   34   16   35                                                 
CONECT   35   34                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0KG5I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.101  -1.133   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.517  -1.716   0.000  1.00  0.00           C  
HETATM    3  S   UNL     1      -2.782  -1.342   0.000  1.00  0.00           S  
HETATM    4  C   UNL     1      -2.911  -0.527   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.726  -0.398   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.197  -0.115   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.482  -0.527   0.000  1.00  0.00           O  
HETATM    8  N   UNL     1      -2.197   0.711   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.613   1.294   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.613   2.119   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.899   0.881   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.899   0.056   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.184  -0.356   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.530   0.056   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.530   0.881   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.184   1.294   0.000  1.00  0.00           C  
HETATM   17  H   UNL     1      -3.646  -2.531   0.000  1.00  0.00           H  
HETATM   18 CL   UNL     1      -0.184  -1.181   0.000  1.00  0.00          Cl  
HETATM   19  N   UNL     1       1.244  -0.356   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.959   0.056   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.673  -0.356   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.388   0.056   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.388   0.881   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.673   1.294   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.959   0.881   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.328   2.531   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.042   2.119   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.101   1.296   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3   17                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    1                                                 
CONECT    6    4    7    8                                            
CONECT    7    6                                                      
CONECT    8    6    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   26                                                 
CONECT   11    9   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    2                                                      
CONECT   18   13                                                      
CONECT   19   14   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   10   27                                                 
CONECT   27   26                                                      
CONECT   28   23                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0KG9M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429   0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.429  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.715  -0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.000   0.619   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.715   1.031   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       0.715  -0.619   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.429  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.429   0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.715   1.031   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       0.715   1.856   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1       0.712  -1.444   0.000  1.00  0.00           N1+
HETATM   13  O   UNL     1       1.427  -1.856   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1      -0.002  -1.856   0.000  1.00  0.00           O1-
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    7   13   14                                            
CONECT   13   12                                                      
CONECT   14   12                                                      
MASTER        0    0    0    0    0    0    0    0   14    0   14    0
END
M  END

$$$$
D0KH7Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -6.170  -0.206   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -6.170  -1.031   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.456  -1.444   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.741  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.741  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.456   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.027   0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.313  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.598   0.206   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.598   1.031   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.313   1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.027   1.031   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.884  -0.206   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.169   0.206   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.455  -0.206   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1      -1.169   1.031   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       0.260   0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.974  -0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.689   0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.689   1.031   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.974   1.444   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.260   1.031   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -6.885  -1.444   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       2.403  -0.206   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.118   0.206   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       3.871  -0.129   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       4.423   0.484   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       4.011   1.198   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1       3.204   1.027   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       5.244   0.398   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.579  -0.356   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       6.400  -0.442   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       6.885   0.225   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1       6.549   0.979   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       5.729   1.065   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   23                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    9   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   17                                                 
CONECT   16   14                                                      
CONECT   17   15   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23    2                                                      
CONECT   24   19   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   25                                                 
CONECT   30   27   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0KI1H
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.509   1.580   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.509   0.755   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.794   0.342   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.080   0.755   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.080   1.580   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.794   1.992   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.293   1.835   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.778   1.167   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.293   0.500   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.603   1.167   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.016   1.882   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.841   1.882   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.253   1.167   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.841   0.453   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.016   0.453   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.794   2.817   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       0.635   0.342   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.349   0.755   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.064   0.342   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.778   0.755   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.191   0.041   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.778  -0.674   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.191  -1.389   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.016  -1.389   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.428  -0.674   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.016   0.041   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.428  -2.103   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1       5.253  -2.103   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1       4.016  -2.817   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1       5.012  -2.686   0.000  1.00  0.00           F  
HETATM   31  C   UNL     1       3.493   1.167   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.778   1.580   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   17                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   16                                            
CONECT    7    1    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    6                                                      
CONECT   17    4   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   31   32                                       
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   24   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
CONECT   31   20   32                                                 
CONECT   32   31   20                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0KI5F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.538   0.367   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.538  -0.458   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.824  -0.870   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.109  -0.458   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.109   0.367   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.824   0.780   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.325  -0.713   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -0.840  -0.045   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.325   0.622   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.070   1.407   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.263   1.578   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.289   0.965   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.096   1.137   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.351   1.921   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.799   2.534   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.008   2.363   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.824   1.605   0.000  1.00  0.00           O  
HETATM   18  S   UNL     1       2.158   2.093   0.000  1.00  0.00           S  
HETATM   19  C   UNL     1      -1.111  -1.510   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.695  -2.093   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.481  -2.890   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.684  -3.103   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.101  -2.520   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.314  -1.723   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1       0.269  -1.140   0.000  1.00  0.00           F  
HETATM   26  C   UNL     1      -1.908  -1.296   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.491  -1.879   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.075  -2.463   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1       2.955   2.306   0.000  1.00  0.00           N  
HETATM   30  O   UNL     1       2.351   1.291   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       1.965   2.895   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       3.168   3.103   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.538   1.723   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   17                                            
CONECT    7    4    8   19                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    6                                                      
CONECT   18   14   29   30   31                                       
CONECT   19   20   24   26    7                                       
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19   25                                            
CONECT   25   24                                                      
CONECT   26   19   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27                                                      
CONECT   29   18   32   33                                            
CONECT   30   18                                                      
CONECT   31   18                                                      
CONECT   32   29                                                      
CONECT   33   29                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0KJ9U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.869  -2.316   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.286  -1.733   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.500  -0.936   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.296  -0.722   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.880  -1.305   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.666  -2.102   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -6.250  -2.686   0.000  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -3.916  -0.352   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.119  -0.566   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.536   0.018   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.739  -0.196   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.327  -0.910   0.000  1.00  0.00           O  
HETATM   13  N   UNL     1      -0.520  -0.739   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.433   0.082   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.187   0.417   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       0.364   0.295   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.947  -0.288   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.744  -0.075   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.957   0.722   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.374   1.305   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.577   1.092   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       1.588   2.102   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.004   2.686   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       2.754   0.936   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       3.469   0.523   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.266   0.737   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       4.980   0.324   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       4.980  -0.501   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.765  -0.756   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       6.250  -0.088   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.765   0.579   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    3    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   11                                                 
CONECT   16   14   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21   22                                            
CONECT   21   20   16                                                 
CONECT   22   20   23                                                 
CONECT   23   22                                                      
CONECT   24   19   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   27                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0KK6L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  O   UNL     1      -5.001  -0.877   0.000  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.287  -0.465   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572  -0.877   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.858  -0.465   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.143  -0.877   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429  -0.465   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.715  -0.877   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.000  -0.465   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.715  -0.877   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.429  -0.465   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.143  -0.877   0.000  1.00  0.00           N  
HETATM   12  S   UNL     1       2.858  -0.465   0.000  1.00  0.00           S  
HETATM   13  O   UNL     1      -4.287   0.360   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.858   0.360   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.572  -0.877   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.572  -1.702   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.287  -2.115   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       5.001  -1.702   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       5.001  -0.877   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.287  -0.465   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       2.445   0.250   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       3.270   0.250   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1      -2.190   0.845   0.000  1.00  0.00           N  
HETATM   24  S   UNL     1      -2.445   1.630   0.000  1.00  0.00           S  
HETATM   25  C   UNL     1      -3.270   1.630   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.525   0.845   0.000  1.00  0.00           N  
HETATM   27  N   UNL     1      -3.938   2.115   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -4.605   1.630   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.350   0.845   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       4.286  -0.052   0.000  1.00  0.00           N1+
HETATM   31  O   UNL     1       5.000  -0.465   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       3.571  -0.465   0.000  1.00  0.00           O1-
CONECT    1    2                                                      
CONECT    2    1    3   13                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   14                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   15   21   22                                       
CONECT   13    2                                                      
CONECT   14    4   23   26                                            
CONECT   15   12   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   30                                            
CONECT   21   12                                                      
CONECT   22   12                                                      
CONECT   23   14   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   14   29                                            
CONECT   27   25   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   26                                                 
CONECT   30   20   31   32                                            
CONECT   31   30                                                      
CONECT   32   30                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0KL3B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.608  -1.529   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.608  -2.354   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.894  -2.767   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.179  -2.354   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.179  -1.529   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.894  -1.117   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.395  -2.609   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.090  -1.942   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.395  -1.274   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.894  -0.292   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.608   0.121   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.179   0.121   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.382  -0.093   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.169   0.704   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.966   0.918   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.546   1.117   0.000  1.00  0.00           N  
HETATM   17  S   UNL     1       0.546   1.942   0.000  1.00  0.00           S  
HETATM   18  O   UNL     1       0.546   2.767   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.371   1.942   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.279   1.942   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       1.783   1.227   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.608   1.227   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    6   11   12                                            
CONECT   11   10                                                      
CONECT   12   13   15   10                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   12                                                 
CONECT   16   14   17                                                 
CONECT   17   16   18   19   20                                       
CONECT   18   17                                                      
CONECT   19   17   21                                                 
CONECT   20   17                                                      
CONECT   21   19   22                                                 
CONECT   22   21                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0KL5M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.623  -0.940   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.623  -1.765   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.337  -2.177   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.052  -1.765   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.052  -0.940   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.337  -0.527   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.837  -2.020   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.321  -1.352   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.837  -0.685   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       3.091  -2.804   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       2.539  -3.417   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.794  -4.202   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       3.601  -4.374   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       4.153  -3.761   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.898  -2.976   0.000  1.00  0.00           C  
HETATM   16  F   UNL     1       2.623   0.112   0.000  1.00  0.00           F  
HETATM   17  F   UNL     1       3.633  -0.471   0.000  1.00  0.00           F  
HETATM   18  C   UNL     1       3.856  -5.158   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.091  -0.527   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.806  -0.940   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.520  -0.527   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.806  -1.765   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.520   0.298   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.235   0.710   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.949   0.298   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.949  -0.527   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.235  -0.940   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.664   0.710   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.235   1.535   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.235   2.360   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.235   3.185   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.520   3.598   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1      -1.692   4.405   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1      -2.512   4.491   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1      -2.848   3.737   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1      -2.997   5.158   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.818   5.072   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.153   4.318   0.000  1.00  0.00           C  
HETATM   39  N   UNL     1      -3.668   3.651   0.000  1.00  0.00           N  
CONECT    1    2    6   19                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   16   17                                       
CONECT   10    7   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    9                                                      
CONECT   17    9                                                      
CONECT   18   13                                                      
CONECT   19    1   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   23   27                                            
CONECT   22   20                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   21                                                 
CONECT   28   25                                                      
CONECT   29   24   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   35                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   36                                            
CONECT   35   34   31   39                                            
CONECT   36   34   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   35                                                 
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0KM0T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786  -0.742   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.072  -0.329   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.357  -0.742   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.357  -0.329   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1      -1.072   0.496   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1       1.072  -0.742   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.786  -0.329   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.786   0.496   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.072   0.908   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.357   0.496   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.501   0.908   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       2.501   1.733   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.501  -0.742   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.587  -1.562   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.394  -1.734   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.806  -1.019   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       3.254  -0.406   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       3.468   0.391   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1       2.003  -2.146   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1      -2.501  -0.329   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.215  -0.742   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.215  -1.567   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.501  -1.979   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.786  -1.567   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.930  -0.329   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.930   0.496   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.215   2.146   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       3.930   1.733   0.000  1.00  0.00           O  
CONECT    1    2   20   24                                            
CONECT    2    1    3    5                                            
CONECT    3    2    4                                                 
CONECT    4    3    6   10                                            
CONECT    5    2                                                      
CONECT    6    4    7                                                 
CONECT    7    6    8   13                                            
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    8   12                                                 
CONECT   12   11   27                                                 
CONECT   13    7   14   17                                            
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   13   18                                            
CONECT   18   17                                                      
CONECT   19   14                                                      
CONECT   20    1   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23    1                                                 
CONECT   25   21   26                                                 
CONECT   26   25                                                      
CONECT   27   12   28                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0KM0W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.365   1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.365   0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.080   0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.794   0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.794   1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.080   1.856   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1       3.509   1.856   0.000  1.00  0.00          Cl  
HETATM    8  N   UNL     1       0.651   0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.064   0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.778   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.778  -0.619   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.064  -1.031   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.651  -0.619   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.064   1.444   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.365  -1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.080  -0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.365  -1.856   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.492   0.619   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.207   0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.207  -0.619   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.492  -1.031   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.921  -1.031   0.000  1.00  0.00           N  
HETATM   23 CL   UNL     1      -1.492  -1.856   0.000  1.00  0.00          Cl  
HETATM   24  C   UNL     1      -3.509  -1.402   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.794  -1.814   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    2    9   13                                            
CONECT    9    8   10   14                                            
CONECT   10    9   11   18                                            
CONECT   11   10   12   21                                            
CONECT   12   11   13                                                 
CONECT   13   12    8   15                                            
CONECT   14    9                                                      
CONECT   15   13   16   17                                            
CONECT   16   15                                                      
CONECT   17   15                                                      
CONECT   18   10   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   11   23                                            
CONECT   22   20   24                                                 
CONECT   23   21                                                      
CONECT   24   22   25                                                 
CONECT   25   24                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0KM8V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.285  -0.636   0.000  1.00  0.00           N  
HETATM    2  N   UNL     1      -2.285  -1.461   0.000  1.00  0.00           N  
HETATM    3  N   UNL     1      -1.500  -1.716   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.015  -1.048   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.500  -0.381   0.000  1.00  0.00           N  
HETATM    6  S   UNL     1      -0.190  -1.048   0.000  1.00  0.00           S  
HETATM    7  C   UNL     1       0.222  -0.334   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.047  -0.334   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.460   0.381   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.285   0.381   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.088   0.334   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.603  -0.334   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1       0.222  -1.763   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.263   0.334   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.150   1.048   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.263   1.763   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.088   1.763   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.500   1.048   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    1   11                                            
CONECT    6    4    7   12   13                                       
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9                                                      
CONECT   11    5   14   18                                            
CONECT   12    6                                                      
CONECT   13    6                                                      
CONECT   14   11   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   11                                                 
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D0KN6L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -7.520   0.044   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.520  -0.781   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.806  -1.193   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.091  -0.781   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.091   0.044   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.806   0.457   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.377  -1.193   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.662  -0.781   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.948  -1.193   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -4.662   0.044   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.233  -0.781   0.000  1.00  0.00           C  
HETATM   12  S   UNL     1      -2.436  -0.994   0.000  1.00  0.00           S  
HETATM   13  C   UNL     1      -1.987  -0.302   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.506   0.339   0.000  1.00  0.00           N  
HETATM   15  N   UNL     1      -3.276   0.043   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1      -1.190  -0.089   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.607  -0.672   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.190  -0.459   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.404   0.338   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.180   0.921   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.977   0.708   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.201   0.552   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.915   0.139   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.129  -0.658   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1       2.952  -0.701   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       3.248   0.069   0.000  1.00  0.00           C  
HETATM   27  S   UNL     1       2.607   0.588   0.000  1.00  0.00           S  
HETATM   28  N   UNL     1       3.831   0.653   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       4.628   0.439   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       4.628  -0.386   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       5.212   1.022   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.926   0.610   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       6.140  -0.187   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       6.937  -0.400   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       7.520   0.183   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       7.306   0.980   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       6.510   1.193   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16   13   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   19   23                                                 
CONECT   23   22   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   23                                                 
CONECT   28   26   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29                                                      
CONECT   31   29   32                                                 
CONECT   32   31   33   37                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   32                                                 
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0KN7T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.061   1.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.061   1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.776   0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.490   1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.490   1.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.776   2.269   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.776  -0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.061  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.061  -1.444   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.776  -1.856   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.490  -1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.490  -0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.061  -2.269   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.346  -1.856   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       1.061  -3.094   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       2.490  -2.269   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.204  -1.856   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.346   0.619   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.368   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.082   0.619   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.368   1.856   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.836   0.954   0.000  1.00  0.00           C  
HETATM   23  S   UNL     1      -2.388   0.341   0.000  1.00  0.00           S  
HETATM   24  C   UNL     1      -1.976  -0.373   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.169  -0.202   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.311  -1.127   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.118  -1.298   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.204  -2.119   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1      -2.451  -2.454   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -1.899  -1.841   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       1.776   3.094   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   31                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13   16                                       
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   10   17                                                 
CONECT   17   16                                                      
CONECT   18    2   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   22   25                                            
CONECT   21   19                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   20                                                 
CONECT   26   24   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   26                                                 
CONECT   31    6                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END

$$$$

$$$$

$$$$
D0KN9S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.928   0.762   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.928  -0.063   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.214  -0.475   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.499  -0.063   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.499   0.762   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.214   1.175   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.785   1.175   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.785   2.000   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.499   2.412   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.214   2.000   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -2.499   3.237   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.070   0.762   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.356   1.175   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.070  -0.063   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.356  -0.475   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.785  -0.475   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.785  -1.300   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.358  -0.063   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.073  -0.475   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.787  -0.063   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.787   0.762   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.073   1.175   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.358   0.762   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       2.502   1.175   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.214  -1.300   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.881  -1.785   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.626  -2.570   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.801  -2.570   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1      -2.546  -1.785   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -2.316  -3.237   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.216   0.762   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1       2.805   0.050   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       3.928   0.351   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       3.627   1.474   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   25                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   10                                            
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    6                                                 
CONECT   11    9                                                      
CONECT   12    7   13   14                                            
CONECT   13   12                                                      
CONECT   14   12   15   16                                            
CONECT   15   14   18                                                 
CONECT   16   14   17                                                 
CONECT   17   16                                                      
CONECT   18   15   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   31   21                                                 
CONECT   25    3   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28   25                                                 
CONECT   30   28                                                      
CONECT   31   32   33   34   24                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0KO2E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.713   0.155   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.228  -0.512   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.556  -0.257   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.556   0.568   0.000  1.00  0.00           C  
HETATM    5  S   UNL     1      -0.228   0.823   0.000  1.00  0.00           S  
HETATM    6  C   UNL     1       1.201  -0.771   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.005  -0.588   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.363   0.155   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.005   0.898   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.201   1.082   0.000  1.00  0.00           C  
HETATM   11  S   UNL     1      -1.538   0.155   0.000  1.00  0.00           S  
HETATM   12  N   UNL     1      -1.538  -0.669   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1      -2.363   0.155   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1      -1.538   0.980   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.252  -1.082   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.824  -1.082   0.000  1.00  0.00           C  
CONECT    1    2    5   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5   10                                            
CONECT    5    4    1                                                 
CONECT    6    3    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    1   12   13   14                                       
CONECT   12   11   15   16                                            
CONECT   13   11                                                      
CONECT   14   11                                                      
CONECT   15   12                                                      
CONECT   16   12                                                      
MASTER        0    0    0    0    0    0    0    0   16    0   16    0
END
M  END

$$$$
D0KO3I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.146  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.146  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.431  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.717  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.717  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.431  -0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.002  -2.062   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.712  -1.650   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.712  -0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.002  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.426  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.426   0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.712   0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.002   0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.141  -0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.855  -0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.855   0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.141   0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.570   0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.570   1.650   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.855   2.062   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.141   1.650   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.272   2.646   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.439   2.646   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.015  -2.646   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.848  -2.646   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.717   0.000   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.712   0.000   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.570   0.000   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       3.570  -0.825   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       4.284   0.412   0.000  1.00  0.00           O  
HETATM   32  H   UNL     1      -0.002  -1.238   0.000  1.00  0.00           H  
HETATM   33  C   UNL     1       1.426  -1.238   0.000  1.00  0.00           C  
HETATM   34  H   UNL     1       2.141   0.000   0.000  1.00  0.00           H  
HETATM   35  O   UNL     1      -2.860  -2.062   0.000  1.00  0.00           O  
HETATM   36  O   UNL     1      -3.572  -0.829   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1      -3.572  -1.651   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.284  -2.062   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2   35    1    3                                            
CONECT    3    2    4   25   26                                       
CONECT    4    3    5    7                                            
CONECT    5    4    6   10   27                                       
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11   28                                       
CONECT   10    9    5   14   32                                       
CONECT   11    9   12   15   33                                       
CONECT   12   11   13   18                                            
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19   29                                       
CONECT   18   17   12   22   34                                       
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   23   24                                       
CONECT   22   21   18                                                 
CONECT   23   21                                                      
CONECT   24   21                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    5                                                      
CONECT   28    9                                                      
CONECT   29   17   30   31                                            
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   18                                                      
CONECT   35   37    2                                                 
CONECT   36   37                                                      
CONECT   37   38   36   35                                            
CONECT   38   37                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END

$$$$

$$$$

$$$$
D0KO5D
  -OEChem-09301911162D

 50 52  0     1  0  0  0  0  0999 V2000
    2.0000   -0.6431    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7000   -0.3425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7216    2.6431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    0.9447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1863    0.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8805    1.3559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4279    0.7890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3569    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9230    0.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    0.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2353    1.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9295    1.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6237    2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5747    1.7160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7826    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3179    2.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7337    0.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2689    2.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4768    1.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2845    0.0754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3566    1.1969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130    0.4078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2969    2.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6256    2.0247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8385    2.0247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1672    2.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.8331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5263    1.8522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7467    1.6865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.4531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.4531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3152    0.3893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0094    0.7495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9147    2.5725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1351    2.4068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3219    0.3230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1890    2.9916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8626   -0.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7297    2.4910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8886    1.2038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5568    0.1825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 13  2  0  0  0  0
  3 20  2  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
  5 16  1  0  0  0  0
  5 20  1  0  0  0  0
  5 40  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 42  1  0  0  0  0
  7 27  1  0  0  0  0
  7 49  1  0  0  0  0
  7 50  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 19  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  2  0  0  0  0
 18 39  1  0  0  0  0
 19 41  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 45  1  0  0  0  0
 24 26  2  0  0  0  0
 24 46  1  0  0  0  0
 25 27  2  0  0  0  0
 25 47  1  0  0  0  0
 26 27  1  0  0  0  0
 26 48  1  0  0  0  0
M  END

$$$$
D0KP0U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.004  -0.685   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.004  -1.510   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.219  -1.765   0.000  1.00  0.00           N  
HETATM    4  N   UNL     1      -0.734  -1.098   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.219  -0.430   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.091  -1.098   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.964   0.354   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.157   0.526   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.098   1.310   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.454   1.923   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.261   1.752   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.516   0.967   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.503  -1.812   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.328  -1.812   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.741  -1.098   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.328  -0.384   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.503  -0.384   0.000  1.00  0.00           C  
HETATM   18  S   UNL     1       2.563  -1.098   0.000  1.00  0.00           S  
HETATM   19  O   UNL     1       2.563  -0.273   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1       3.388  -1.098   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1       2.563  -1.923   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.201   2.709   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.674  -1.995   0.000  1.00  0.00           C  
HETATM   24  F   UNL     1      -2.261  -2.709   0.000  1.00  0.00           F  
HETATM   25  F   UNL     1      -3.388  -2.407   0.000  1.00  0.00           F  
HETATM   26  F   UNL     1      -3.086  -1.280   0.000  1.00  0.00           F  
CONECT    1    2    5                                                 
CONECT    2    1    3   23                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    1    7                                            
CONECT    6    4   13   17                                            
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   22                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    6   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16    6                                                 
CONECT   18   15   19   20   21                                       
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   18                                                      
CONECT   22   10                                                      
CONECT   23    2   24   25   26                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0KP4J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -7.276  -0.657   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.863  -1.371   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.149  -0.959   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.561  -0.244   0.000  1.00  0.00           C  
HETATM    5  F   UNL     1      -7.688   0.058   0.000  1.00  0.00           F  
HETATM    6  F   UNL     1      -7.990  -1.069   0.000  1.00  0.00           F  
HETATM    7  O   UNL     1      -5.352  -1.172   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.638  -0.760   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.923  -1.172   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.209  -0.760   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.209   0.065   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.923   0.478   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.638   0.065   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.923   1.303   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.494  -1.172   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.780  -0.760   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.065  -1.172   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1      -1.780   0.065   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.351  -0.760   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.364  -1.172   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.078  -0.760   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.078   0.065   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       0.364   0.478   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1      -0.351   0.065   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       1.793   0.478   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.507   0.065   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.222   0.478   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.936   0.065   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       4.651   0.478   0.000  1.00  0.00           N  
HETATM   30  F   UNL     1       3.222   1.303   0.000  1.00  0.00           F  
HETATM   31  C   UNL     1       5.365   0.065   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.978   0.617   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       5.643   1.371   0.000  1.00  0.00           N  
HETATM   34  N   UNL     1       4.822   1.285   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       6.693   0.205   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1       7.276   0.788   0.000  1.00  0.00           N  
HETATM   37  O   UNL     1       6.693  -0.620   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1       7.990   0.376   0.000  1.00  0.00           C  
CONECT    1    2    4    5    6                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    1                                                 
CONECT    5    1                                                      
CONECT    6    1                                                      
CONECT    7    3    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    8                                                 
CONECT   14   12                                                      
CONECT   15   10   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   19                                                 
CONECT   18   16                                                      
CONECT   19   17   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   31   34                                            
CONECT   30   27                                                      
CONECT   31   29   32                                                 
CONECT   32   31   33   35                                            
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   32   36   37                                            
CONECT   36   35   38                                                 
CONECT   37   35                                                      
CONECT   38   36                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0KP8N
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.698  -0.498   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.698  -1.323   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.984  -1.736   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.270  -1.323   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.270  -0.498   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.984  -0.086   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.445  -1.736   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.159  -1.323   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.159  -0.498   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       0.445  -0.086   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.874  -0.086   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       0.445  -2.561   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1       1.874  -1.736   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       2.588  -0.498   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.303  -0.086   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.303   0.739   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.588   1.152   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.874   0.739   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       4.017   1.152   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.984   0.739   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.413  -0.086   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.984  -2.561   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.954   1.194   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.431   1.867   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.206   1.584   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.017   1.736   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.540   1.063   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.765   1.346   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.986   2.561   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1      -3.571   0.239   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.204   0.741   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.238   0.760   0.000  1.00  0.00           C  
CONECT    1    2    6   21                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   22                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   20                                            
CONECT    7    4    8   12                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   14   18                                            
CONECT   12    7                                                      
CONECT   13    8                                                      
CONECT   14   11   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   11                                                 
CONECT   19   16                                                      
CONECT   20    6   23                                                 
CONECT   21    1                                                      
CONECT   22    3                                                      
CONECT   23   20   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   32                                            
CONECT   26   25   27   29                                            
CONECT   27   26   30   28                                            
CONECT   28   23   31   27                                            
CONECT   29   26                                                      
CONECT   30   27                                                      
CONECT   31   28                                                      
CONECT   32   25                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0KR0I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072   0.000   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072   0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   1.238   0.000  1.00  0.00           C  
HETATM    7 XX   UNL     1      -3.215  -0.412   0.000  1.00  0.00          Xx  
HETATM    8 XX   UNL     1      -1.786  -1.238   0.000  1.00  0.00          Xx  
HETATM    9 XX   UNL     1      -0.357  -0.412   0.000  1.00  0.00          Xx  
HETATM   10  N   UNL     1      -0.357   1.238   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.357   0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.072   1.238   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       0.357   0.000   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.786   0.825   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       2.501   1.238   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1       1.786   0.000   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       3.215   0.825   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    3                                                      
CONECT    9    4                                                      
CONECT   10    5   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11   14                                                 
CONECT   13   11                                                      
CONECT   14   12   15   16                                            
CONECT   15   14   17                                                 
CONECT   16   14                                                      
CONECT   17   15                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D0KR2T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -1.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -2.681   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -3.094   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -2.681   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072  -1.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786  -1.444   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -3.215  -3.094   0.000  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -0.357  -1.444   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.786  -0.619   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.072  -0.206   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -2.501  -0.206   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.072   0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.357   1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.357   0.619   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       1.072   1.031   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.072   1.856   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.357   2.269   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.357   1.856   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.856   0.776   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.341   1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.856   2.111   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.072   2.269   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.072   3.094   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.786   3.506   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.786   4.331   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.501   3.094   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       0.357  -0.206   0.000  1.00  0.00           O  
HETATM   28  N   UNL     1      -0.357  -3.094   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.357  -3.919   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.357  -2.681   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.072  -3.094   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.786  -2.681   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.786  -1.856   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.072  -1.444   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       0.357  -1.856   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1       2.501  -1.444   0.000  1.00  0.00           N  
HETATM   37  C   UNL     1       3.215  -1.856   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       2.501  -0.619   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       0.357  -4.331   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   28                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1    9                                            
CONECT    7    2                                                      
CONECT    8    5                                                      
CONECT    9    6   10   11                                            
CONECT   10    9   12                                                 
CONECT   11    9                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15   27                                            
CONECT   15   14   16   19                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   13   22                                            
CONECT   19   15   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   18   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   14                                                      
CONECT   28    4   29   30                                            
CONECT   29   28   39                                                 
CONECT   30   28   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   36                                            
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
CONECT   36   33   37   38                                            
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   29                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0KR7K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.984   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.984  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.269  -1.031   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.555  -0.619   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.555   0.206   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.269   0.619   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.269  -1.856   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.984  -2.269   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.984  -3.094   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.269  -3.506   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.555  -3.094   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.555  -2.269   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.840   0.619   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.126   0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.126  -0.619   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.411  -1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.303  -0.619   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.303   0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.411   0.619   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.840  -1.031   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       1.018   0.619   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       1.732   0.206   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.446   0.619   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       1.732  -0.619   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       3.161   0.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.875   0.619   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.875   1.444   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.161   1.856   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.446   1.444   0.000  1.00  0.00           C  
HETATM   30  S   UNL     1       3.159   2.681   0.000  1.00  0.00           S  
HETATM   31  O   UNL     1       3.984   2.681   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       3.159   3.506   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       2.334   2.681   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1       2.334   1.856   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1       1.509   2.681   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1       2.334   3.506   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   13                                            
CONECT    6    5    1                                                 
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    5   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   14                                                 
CONECT   20   15                                                      
CONECT   21   18   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   25   29                                            
CONECT   24   22                                                      
CONECT   25   23   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28   23                                                 
CONECT   30   28   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30   34   35   36                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0KR7R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.668   0.497   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.668  -0.328   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.884  -0.583   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.399   0.085   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.884   0.752   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.453   0.752   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.938   0.085   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.453  -0.583   0.000  1.00  0.00           C  
HETATM    9  H   UNL     1      -1.668   1.322   0.000  1.00  0.00           H  
HETATM   10  H   UNL     1      -1.668  -1.153   0.000  1.00  0.00           H  
HETATM   11  N   UNL     1       0.316   0.497   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.316  -0.328   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.030   0.085   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.744   0.497   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       2.459   0.085   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1       1.744   1.322   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       2.545  -0.736   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.352  -0.907   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.765  -0.193   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.213   0.420   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.950  -1.322   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.747  -1.109   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.765   0.086   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.940   0.086   0.000  1.00  0.00           N  
CONECT    1    2    5    6    9                                       
CONECT    2    1    3    8   10                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   11   12                                       
CONECT    5    4    1                                                 
CONECT    6    1    7                                                 
CONECT    7    6    8   23                                            
CONECT    8    7    2                                                 
CONECT    9    1                                                      
CONECT   10    2                                                      
CONECT   11    4   13                                                 
CONECT   12    4                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   17   20                                            
CONECT   16   14                                                      
CONECT   17   15   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   17   22                                                 
CONECT   22   21                                                      
CONECT   23    7   24                                                 
CONECT   24   23                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0KR9E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.000   0.000   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.825   0.000   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.825   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.000  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.715  -1.238   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.715  -2.062   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.000  -2.475   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.715  -2.062   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.715  -1.238   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.238   0.715   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.062   0.715   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.475   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.062  -0.715   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.238  -0.715   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.715   1.238   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.715   2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.000   2.475   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.715   2.062   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.715   1.238   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.238  -0.715   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.062  -0.715   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.475   0.000   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.062   0.715   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.238   0.715   0.000  1.00  0.00           C  
CONECT    1    2    3    4    5                                       
CONECT    2    1   21   25                                            
CONECT    3    1   11   15                                            
CONECT    4    1   16   20                                            
CONECT    5    1    6   10                                            
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    3   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    3                                                 
CONECT   16    4   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19    4                                                 
CONECT   21    2   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24    2                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0KS3G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  O   UNL     1       0.486  -0.547   0.000  1.00  0.00           O  
HETATM    2  C   UNL     1       0.486  -1.372   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.270  -1.627   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.755  -0.959   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.270  -0.292   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       1.525   0.493   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.182  -1.857   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       1.525  -2.412   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1       2.580  -0.959   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       2.310   0.748   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.310   1.573   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.525   1.827   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.040   1.160   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       3.025   0.335   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       3.739   0.748   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.739   1.573   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.025   1.985   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       3.025   2.810   0.000  1.00  0.00           N  
HETATM   19  P   UNL     1      -0.979  -1.643   0.000  1.00  0.00           P  
HETATM   20  C   UNL     1      -1.562  -2.227   0.000  1.00  0.00           C  
HETATM   21  P   UNL     1      -2.359  -2.013   0.000  1.00  0.00           P  
HETATM   22  C   UNL     1      -2.942  -2.596   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.739  -2.383   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1      -2.572  -1.216   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1      -2.145  -2.810   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.192  -0.846   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.765  -2.440   0.000  1.00  0.00           O  
CONECT    1    2    5                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5    9                                            
CONECT    5    4    1    6                                            
CONECT    6    5   10   13                                            
CONECT    7    2   19                                                 
CONECT    8    3                                                      
CONECT    9    4                                                      
CONECT   10    6   11   14                                            
CONECT   11   10   12   17                                            
CONECT   12   11   13                                                 
CONECT   13   12    6                                                 
CONECT   14   10   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   11   18                                            
CONECT   18   17                                                      
CONECT   19    7   20   26   27                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   24   25                                       
CONECT   22   21   23                                                 
CONECT   23   22                                                      
CONECT   24   21                                                      
CONECT   25   21                                                      
CONECT   26   19                                                      
CONECT   27   19                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0KS3J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.685  -0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.685  -1.238   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.971  -1.650   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.256  -1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.256  -0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.971   0.000   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.971  -2.475   0.000  1.00  0.00           O  
HETATM    8  N   UNL     1      -2.542   0.000   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.542   0.825   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.256   1.238   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.827   1.238   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.113   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.398   1.238   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.398   2.062   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.113   2.475   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.827   2.062   0.000  1.00  0.00           C  
HETATM   17 CL   UNL     1      -2.542   2.475   0.000  1.00  0.00          Cl  
HETATM   18  N   UNL     1       0.316   0.825   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.030   1.238   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.745   0.825   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       1.030   2.062   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       1.745   0.000   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.459  -0.412   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.174   0.000   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.174   0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.459   1.238   0.000  1.00  0.00           C  
HETATM   27 CL   UNL     1       2.459   2.062   0.000  1.00  0.00          Cl  
HETATM   28  S   UNL     1       3.888  -0.412   0.000  1.00  0.00           S  
HETATM   29  C   UNL     1       3.888  -1.238   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       4.301   0.302   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       4.685  -0.626   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    3                                                      
CONECT    8    5    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11   17                                            
CONECT   17   16                                                      
CONECT   18   13   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   22   26                                            
CONECT   21   19                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   20   27                                            
CONECT   27   26                                                      
CONECT   28   24   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0KT1Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.176   1.317   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.176   0.492   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.462   0.080   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.747   0.492   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.747   1.317   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.462   1.730   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.033   0.080   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.946  -0.741   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.139  -0.912   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.273  -0.198   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.279   0.416   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.560  -1.292   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.344  -1.038   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.957  -1.590   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.786  -2.397   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.001  -2.651   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.388  -2.099   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.093  -0.111   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.579  -0.779   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       1.429   0.642   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.250   0.729   0.000  1.00  0.00           C  
HETATM   22 CL   UNL     1      -3.890   1.730   0.000  1.00  0.00          Cl  
HETATM   23 CL   UNL     1      -0.603  -2.354   0.000  1.00  0.00          Cl  
HETATM   24  C   UNL     1      -0.107   1.223   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.520   1.937   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.107   2.651   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1      -1.345   1.937   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       2.735   0.061   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       3.555   0.147   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       3.890   0.901   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.406   1.569   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.585   1.482   0.000  1.00  0.00           C  
CONECT    1    2    6   22                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   18                                            
CONECT   11   10    7   24                                            
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   23                                            
CONECT   18   10   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   21                                                 
CONECT   21   20   28   32                                            
CONECT   22    1                                                      
CONECT   23   17                                                      
CONECT   24   11   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   21   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   21                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0KT5W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.958   1.552   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.958   0.727   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.673   0.315   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       3.387   0.727   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       3.387   1.552   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.673   1.965   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       4.102   1.965   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1       4.102   0.315   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       1.244   0.315   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.529   0.727   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.185   0.315   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.939   0.650   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.491   0.037   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.078  -0.677   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1      -0.271  -0.506   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.311   0.124   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.796  -0.544   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.617  -0.458   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.102  -1.125   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.766  -1.879   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.946  -1.965   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.461  -1.298   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    4                                                      
CONECT    9    2   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0KU2T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429  -2.062   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.429  -2.888   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.715  -3.300   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000  -2.888   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.000  -2.062   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.715  -1.650   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.715  -3.300   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.429  -2.888   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.429  -2.062   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.715  -1.650   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.715  -0.825   0.000  1.00  0.00           O  
HETATM   12  H   UNL     1       0.000  -1.238   0.000  1.00  0.00           H  
HETATM   13  C   UNL     1       0.715  -0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.143  -1.650   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.429   0.412   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.143  -0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.858  -0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.143  -1.650   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.143  -3.300   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       1.429  -0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.143   0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.143   1.650   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.858   2.062   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.858   2.888   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       3.572   3.300   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1       2.143   3.300   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1       1.429   2.062   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       0.715   0.825   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -3.572  -0.825   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   20                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10   12                                       
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9    5   13                                            
CONECT   11    6   15                                                 
CONECT   12    5                                                      
CONECT   13   10   21                                                 
CONECT   14    9                                                      
CONECT   15   11   16   17                                            
CONECT   16   15                                                      
CONECT   17   15   18   19                                            
CONECT   18   17   31                                                 
CONECT   19   17                                                      
CONECT   20    2                                                      
CONECT   21   13   22                                                 
CONECT   22   21   23   30                                            
CONECT   23   22   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   24                                                      
CONECT   30   22                                                      
CONECT   31   18                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0KU5J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357  -1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.357  -0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.357   0.206   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.501  -1.444   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1       0.357  -1.444   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.072  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.786   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.786   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.072   1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.357   1.031   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       2.501   1.444   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1      -0.357   1.444   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1    7                                            
CONECT    7    6   10   14                                            
CONECT    8    3                                                      
CONECT    9    5                                                      
CONECT   10    7   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    7   16                                            
CONECT   15   12                                                      
CONECT   16   14                                                      
MASTER        0    0    0    0    0    0    0    0   16    0   16    0
END
M  END

$$$$
D0KW0F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.713   0.221   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.713  -0.604   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.998  -1.017   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.284  -0.604   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.284   0.221   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.998   0.633   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.639  -1.119   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.834  -0.935   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.476  -0.192   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.834   0.551   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.639   0.735   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.370  -1.617   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.547  -1.555   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.189  -0.812   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.654  -0.130   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.296   0.613   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       0.527   0.675   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.992  -0.007   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.814   0.055   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.172   0.798   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.708   1.480   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.885   1.418   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.995   0.860   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       3.353   1.603   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.176   1.665   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.640   0.983   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       4.283   0.240   0.000  1.00  0.00           N  
HETATM   28  O   UNL     1       5.463   1.045   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1       2.888   2.285   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       4.747  -0.442   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.389  -1.185   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.854  -1.867   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       5.677  -1.805   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       6.035  -1.062   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       5.570  -0.380   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1       6.141  -2.487   0.000  1.00  0.00           F  
HETATM   37  O   UNL     1      -5.427   0.633   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1      -6.141   0.221   0.000  1.00  0.00           C  
HETATM   39  O   UNL     1      -5.427  -1.017   0.000  1.00  0.00           O  
HETATM   40  C   UNL     1      -6.141  -0.604   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       4.856   2.131   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       4.112   2.487   0.000  1.00  0.00           C  
CONECT    1    2    6   37                                            
CONECT    2    1    3   39                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10   15                                            
CONECT   10    9   11                                                 
CONECT   11   10    5                                                 
CONECT   12    8   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    9   16                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   20   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26   41   42                                       
CONECT   26   25   27   28                                            
CONECT   27   26   30                                                 
CONECT   28   26                                                      
CONECT   29   24                                                      
CONECT   30   27   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   36                                            
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
CONECT   36   33                                                      
CONECT   37    1   38                                                 
CONECT   38   37                                                      
CONECT   39    2   40                                                 
CONECT   40   39                                                      
CONECT   41   25   42                                                 
CONECT   42   41   25                                                 
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D0KW7O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.485   0.687   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.006   0.015   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.219   0.263   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.212   1.088   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.994   1.350   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.498   1.501   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.505  -0.149   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.089   0.792   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.160   0.449   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.672   1.501   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.260   0.786   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.680  -0.149   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.418   2.285   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.085   2.770   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.752   2.285   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1      -1.085   3.595   0.000  1.00  0.00           O  
HETATM   17  H   UNL     1      -2.624   1.803   0.000  1.00  0.00           H  
HETATM   18  C   UNL     1       3.857   0.886   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.377   1.556   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.591   1.307   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.585   0.482   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.368   0.222   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.871   0.068   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.875   1.718   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.461   0.775   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.531   1.119   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.046   0.066   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.632   0.779   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.050   1.716   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.793  -0.719   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.462  -1.203   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       2.128  -0.716   0.000  1.00  0.00           O  
HETATM   33  O   UNL     1       1.464  -2.028   0.000  1.00  0.00           O  
HETATM   34  H   UNL     1       2.999  -0.232   0.000  1.00  0.00           H  
HETATM   35  H   UNL     1       0.837   2.513   0.000  1.00  0.00           H  
HETATM   36  C   UNL     1      -0.886  -3.595   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.228  -3.099   0.000  1.00  0.00           C  
HETATM   38  N   UNL     1      -0.496  -2.318   0.000  1.00  0.00           N  
HETATM   39  C   UNL     1      -1.321  -2.333   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.562  -3.122   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1      -1.752  -1.630   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.103  -1.593   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.056  -1.202   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.710  -1.264   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1      -1.774  -0.805   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1      -1.071  -0.374   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1      -0.125  -0.769   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1      -2.566  -0.571   0.000  1.00  0.00           C  
HETATM   49  C   UNL     1      -3.033  -1.251   0.000  1.00  0.00           C  
HETATM   50  O   UNL     1      -2.530  -1.906   0.000  1.00  0.00           O  
HETATM   51  O   UNL     1      -3.857  -1.273   0.000  1.00  0.00           O  
HETATM   52  H   UNL     1      -2.024  -2.764   0.000  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.125   0.056   0.000  1.00  0.00           H  
CONECT    1    2    5                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    6   17                                       
CONECT    5    4    1                                                 
CONECT    6    4    8   10   15                                       
CONECT    7    3    9   12                                            
CONECT    8    6                                                      
CONECT    9    7                                                      
CONECT   10    6   11   13                                            
CONECT   11   10   12   28                                            
CONECT   12    7   11                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14    6                                                 
CONECT   16   14                                                      
CONECT   17    4                                                      
CONECT   18   19   22                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22   23   34                                       
CONECT   22   21   18                                                 
CONECT   23   21   25   27   32                                       
CONECT   24   20   26   29                                            
CONECT   25   23                                                      
CONECT   26   24                                                      
CONECT   27   23   28   30                                            
CONECT   28   27   29   11                                            
CONECT   29   24   28   35                                            
CONECT   30   27   31   47                                            
CONECT   31   30   32   33                                            
CONECT   32   31   23                                                 
CONECT   33   31                                                      
CONECT   34   21                                                      
CONECT   35   29                                                      
CONECT   36   37   40                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39   42                                            
CONECT   39   38   40   41   52                                       
CONECT   40   39   36                                                 
CONECT   41   39   43   45   50                                       
CONECT   42   38   44   47                                            
CONECT   43   41                                                      
CONECT   44   42                                                      
CONECT   45   41   46   48                                            
CONECT   46   45   47                                                 
CONECT   47   42   46   30   53                                       
CONECT   48   45   49                                                 
CONECT   49   48   50   51                                            
CONECT   50   49   41                                                 
CONECT   51   49                                                      
CONECT   52   39                                                      
CONECT   53   47                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END

$$$$

$$$$

$$$$
D0KX0J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.049  -1.228   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.049  -2.053   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.335  -2.466   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.620  -2.053   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.620  -1.228   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.335  -0.816   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.906  -2.466   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.191  -2.053   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.191  -1.228   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.906  -0.816   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.477  -0.816   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.477   0.009   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.191   0.422   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.906   0.009   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.237  -1.228   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.952  -0.816   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.952   0.009   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.237   0.422   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.666   0.422   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.666   1.247   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.952   1.659   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.237   1.247   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.764  -2.466   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.620  -0.403   0.000  1.00  0.00           C  
HETATM   25  H   UNL     1      -2.620  -2.878   0.000  1.00  0.00           H  
HETATM   26  O   UNL     1      -1.191   1.247   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.191  -0.403   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.477  -1.641   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.666  -0.403   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       2.381   0.009   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       0.738   2.456   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.165   2.456   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.549  -3.262   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.121  -3.262   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1       1.666  -1.228   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1       3.135  -0.326   0.000  1.00  0.00           C  
HETATM   37  N   UNL     1       3.687   0.287   0.000  1.00  0.00           N  
HETATM   38  C   UNL     1       3.274   1.001   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       2.467   0.830   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       3.610   1.755   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       4.430   1.841   0.000  1.00  0.00           C  
HETATM   42  N   UNL     1       4.766   2.595   0.000  1.00  0.00           N  
HETATM   43  C   UNL     1       4.281   3.262   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       3.460   3.176   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1       3.125   2.423   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1      -4.766  -0.816   0.000  1.00  0.00           C  
HETATM   47  N   UNL     1      -2.329  -0.816   0.000  1.00  0.00           N  
CONECT    1    2    6   46                                            
CONECT    2    1    3   23                                            
CONECT    3    2    4   33   34                                       
CONECT    4    3    5    7   25                                       
CONECT    5    4    6   10   24                                       
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11   27                                       
CONECT   10    9    5   14                                            
CONECT   11    9   12   15   28                                       
CONECT   12   11   13   18                                            
CONECT   13   12   14   26                                            
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19   29                                       
CONECT   18   17   12   22                                            
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   31   32                                       
CONECT   22   21   18                                                 
CONECT   23    2                                                      
CONECT   24    5                                                      
CONECT   25    4                                                      
CONECT   26   13                                                      
CONECT   27    9                                                      
CONECT   28   11                                                      
CONECT   29   17   30   35                                            
CONECT   30   29   36   39                                            
CONECT   31   21                                                      
CONECT   32   21                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35   29                                                      
CONECT   36   30   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39   40                                            
CONECT   39   38   30                                                 
CONECT   40   38   41   45                                            
CONECT   41   40   42                                                 
CONECT   42   41   43                                                 
CONECT   43   42   44                                                 
CONECT   44   43   45                                                 
CONECT   45   44   40                                                 
CONECT   46   47    1                                                 
CONECT   47   46                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
M  END

$$$$
D0KX2W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.067   1.927   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.067   1.102   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.353   0.689   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.638   1.102   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.638   1.927   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.353   2.339   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.924   0.689   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.838  -0.131   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.031  -0.303   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.382   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.170   1.025   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -3.782   2.339   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1      -1.451  -0.683   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.235  -0.428   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.849  -0.980   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.677  -1.787   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.892  -2.042   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.279  -1.490   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -0.495  -1.745   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1       1.202   0.498   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       1.687  -0.169   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1       1.538   1.252   0.000  1.00  0.00           O  
HETATM   23 CL   UNL     1      -3.290  -2.339   0.000  1.00  0.00          Cl  
HETATM   24  N   UNL     1       2.512  -0.169   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       2.997  -0.837   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.782  -0.582   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.782   0.243   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.997   0.498   0.000  1.00  0.00           C  
HETATM   29  S   UNL     1      -0.485   1.322   0.000  1.00  0.00           S  
HETATM   30  C   UNL     1      -1.069   1.905   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   20                                            
CONECT   11   10    7   29                                            
CONECT   12    1                                                      
CONECT   13    8   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   23                                            
CONECT   17   16   18                                                 
CONECT   18   17   13   19                                            
CONECT   19   18                                                      
CONECT   20   10   21   22                                            
CONECT   21   20   24                                                 
CONECT   22   20                                                      
CONECT   23   16                                                      
CONECT   24   21   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   24                                                 
CONECT   29   11   30                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0KX8N
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.072   0.412   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.072  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.357  -0.825   0.000  1.00  0.00           C  
HETATM    4  O   UNL     1       0.357  -0.412   0.000  1.00  0.00           O  
HETATM    5  C   UNL     1       0.357   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.357   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.786   0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.786  -0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.786   1.650   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.501   2.062   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.215   1.650   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.215   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.501   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.501  -0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.215  -0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.215  -1.650   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.501  -2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.786  -1.650   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -3.930  -2.062   0.000  1.00  0.00          Cl  
HETATM   20 CL   UNL     1      -3.930   2.062   0.000  1.00  0.00          Cl  
HETATM   21 CL   UNL     1      -1.072  -2.062   0.000  1.00  0.00          Cl  
HETATM   22  C   UNL     1       1.072   0.825   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.357   1.650   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       1.786   0.412   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       2.501   0.825   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1       1.786  -0.412   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       3.215   0.412   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.930   0.825   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.215  -0.412   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.930   0.000   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   22                                            
CONECT    6    5    1   23                                            
CONECT    7    1    9   13                                            
CONECT    8    2   14   18                                            
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   20                                            
CONECT   12   11   13                                                 
CONECT   13   12    7                                                 
CONECT   14    8   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17    8   21                                            
CONECT   19   16                                                      
CONECT   20   11                                                      
CONECT   21   18                                                      
CONECT   22    5   24                                                 
CONECT   23    6                                                      
CONECT   24   22   25   26                                            
CONECT   25   24   27                                                 
CONECT   26   24                                                      
CONECT   27   25   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0KY1Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.801   0.055   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.801  -0.770   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.086  -1.182   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.628  -0.770   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.628   0.055   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.086   0.468   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.413  -1.025   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.898  -0.357   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.413   0.310   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1       2.723  -0.357   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       3.135   0.357   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.960   0.357   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       4.373   1.072   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.960   1.786   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.135   1.786   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.723   1.072   0.000  1.00  0.00           C  
HETATM   17 CL   UNL     1       1.898   1.072   0.000  1.00  0.00          Cl  
HETATM   18  C   UNL     1       5.198   1.072   0.000  1.00  0.00           C  
HETATM   19  F   UNL     1       4.373  -0.357   0.000  1.00  0.00           F  
HETATM   20  C   UNL     1       1.668  -1.809   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.515   0.468   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.229   0.055   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1      -1.515   1.293   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.944   0.468   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.944   1.293   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.658   1.705   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.373   1.293   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.373   0.468   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.658   0.055   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.785   2.007   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.198   1.293   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.515  -1.182   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -1.515  -2.007   0.000  1.00  0.00           C  
CONECT    1    2    6   21                                            
CONECT    2    1    3   32                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   20                                            
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13   19                                            
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11   17                                            
CONECT   17   16                                                      
CONECT   18   13                                                      
CONECT   19   12                                                      
CONECT   20    7                                                      
CONECT   21    1   22   23                                            
CONECT   22   21   24                                                 
CONECT   23   21                                                      
CONECT   24   22   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30   31                                       
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27                                                      
CONECT   31   27                                                      
CONECT   32    2   33                                                 
CONECT   33   32                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0KZ0M
  -OEChem-09301911282D

 71 73  0     1  0  0  0  0  0999 V2000
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    4.6701   -2.4752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2682   -6.9752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -6.4752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -4.9752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5983   -5.4752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7323   -3.9752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4021   -2.4752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2682   -4.9752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0002   -6.9752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4021   -3.4752    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5361   -3.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1342   -6.4752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6701   -5.4752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5361    2.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041    2.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7323   -4.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701    3.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8611    4.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    5.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1701    5.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5878    5.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    7.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    6.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    7.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9255   -4.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1342   -4.8552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3988   -4.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6017   -4.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9391   -2.1652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7312   -5.2852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7482   -5.5578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1467   -4.8675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1467   -1.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7482   -0.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0595   -0.3675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4580   -1.0578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4677   -5.9502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2648   -5.9502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730    0.7148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2671    0.7148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730    2.3348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2671    2.3348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1332   -6.7852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1352   -5.1652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6056    6.8510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 34  1  0  0  0  0
  2 15  2  0  0  0  0
  3 19  2  0  0  0  0
  4 22  2  0  0  0  0
  5 24  1  0  0  0  0
  5 65  1  0  0  0  0
  6 24  2  0  0  0  0
  7 30  1  0  0  0  0
  7 66  1  0  0  0  0
  8 30  2  0  0  0  0
 12  9  1  6  0  0  0
  9 19  1  0  0  0  0
  9 47  1  0  0  0  0
 14 10  1  1  0  0  0
 10 15  1  0  0  0  0
 10 48  1  0  0  0  0
 11 22  1  0  0  0  0
 11 61  1  0  0  0  0
 11 62  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 41  1  0  0  0  0
 13 17  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 16  1  0  0  0  0
 14 22  1  0  0  0  0
 14 44  1  0  0  0  0
 16 21  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 24  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 20 23  1  0  0  0  0
 20 53  1  0  0  0  0
 20 54  1  0  0  0  0
 21 30  1  0  0  0  0
 21 55  1  0  0  0  0
 21 56  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 25 28  1  0  0  0  0
 25 57  1  0  0  0  0
 26 29  2  0  0  0  0
 26 58  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 31  1  0  0  0  0
 28 59  1  0  0  0  0
 29 60  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 63  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 34 64  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 67  1  0  0  0  0
 37 39  2  0  0  0  0
 37 68  1  0  0  0  0
 38 40  2  0  0  0  0
 38 69  1  0  0  0  0
 39 40  1  0  0  0  0
 39 70  1  0  0  0  0
 40 71  1  0  0  0  0
M  END

$$$$
D0KZ5Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.294  -0.370   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.294  -1.195   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.580  -1.607   0.000  1.00  0.00           N  
HETATM    4  N   UNL     1      -1.865  -1.195   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.865  -0.370   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.580   0.043   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.080  -1.450   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.596  -0.782   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.080  -0.115   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.580   0.868   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.294   1.280   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.865   1.280   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.825   0.670   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.041   0.925   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.041   1.750   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1      -0.825   2.005   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.310   1.337   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.627   0.440   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.627   2.234   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.540  -0.381   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.208  -0.866   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.961  -0.530   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.048   0.290   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.380   0.775   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.825  -2.234   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.629  -1.015   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       2.146  -1.680   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       3.294  -1.498   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1       3.112  -0.350   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8   25                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   13                                            
CONECT   10    6   11   12                                            
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13    9   14   17                                            
CONECT   14   13   15   18                                            
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   13                                                 
CONECT   18   14   20   24                                            
CONECT   19   15                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   26   21   23                                            
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
CONECT   25    7                                                      
CONECT   26   27   28   29   22                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0KZ6Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.859  -0.674   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.859  -1.499   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.145  -1.911   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.430  -1.499   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.430  -0.674   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.145  -0.261   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.716  -0.261   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.001  -0.674   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.713  -0.261   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.713   0.564   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.001   0.976   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.716   0.564   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.428  -0.674   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.428  -1.499   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.142  -1.911   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.857  -1.499   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.857  -0.674   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.142  -0.261   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.571  -0.261   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.286  -0.674   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       5.000  -0.261   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       5.000   0.564   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       4.286   0.976   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       3.571   0.564   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       5.715   0.976   0.000  1.00  0.00           N  
HETATM   26  O   UNL     1      -3.574  -0.261   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.288  -0.674   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.574  -1.911   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1      -3.985  -1.199   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -4.286  -2.322   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -3.163  -2.623   0.000  1.00  0.00           F  
HETATM   32  C   UNL     1      -0.001   1.801   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1       0.821   1.801   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -0.001   2.623   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -0.823   1.801   0.000  1.00  0.00           F  
HETATM   36  C   UNL     1      -5.003  -0.261   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1      -4.591   0.451   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1      -5.715   0.150   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1      -5.414  -0.973   0.000  1.00  0.00           F  
CONECT    1    2    6   26                                            
CONECT    2   28    1    3                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   32   10   12                                            
CONECT   12   11    7                                                 
CONECT   13    9   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   13                                                 
CONECT   19   17   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22                                                      
CONECT   26    1   27                                                 
CONECT   27   36   26                                                 
CONECT   28   29   30   31    2                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
CONECT   32   33   34   35   11                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
CONECT   36   37   38   39   27                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   36                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0KZ6T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.471  -0.070   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.471  -0.895   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.757  -1.307   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.043  -0.895   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.043  -0.070   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.757   0.343   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.328  -1.307   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.614  -0.895   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.614  -0.070   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.328   0.343   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.899   0.343   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.185  -0.070   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.470   0.343   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.244  -0.070   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1      -0.470   1.168   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       0.331  -0.890   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.138  -1.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.550  -0.347   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.998   0.266   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       1.473  -1.815   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       1.170   1.073   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       0.556   1.625   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1       1.954   1.328   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       2.567   0.776   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.352   1.031   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.019   0.546   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.687   1.031   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       4.432   1.815   0.000  1.00  0.00           N  
HETATM   29  O   UNL     1       3.607   1.815   0.000  1.00  0.00           O  
HETATM   30 BR   UNL     1       5.471   0.776   0.000  1.00  0.00          Br  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13   16   19                                            
CONECT   15   13                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14   21                                            
CONECT   20   17                                                      
CONECT   21   19   22   23                                            
CONECT   22   21                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   25                                                 
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0L0CD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.072   0.824   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.072  -0.001   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.358  -0.413   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.643  -0.001   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.643   0.824   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.358   1.237   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.929   1.237   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.214   0.824   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.500   1.237   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.785   0.824   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.071   1.237   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.356   0.824   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.358   1.237   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.073   0.824   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.787   1.237   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.502   0.824   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.216   1.237   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.931   0.824   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.645   1.237   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       5.359   0.824   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       6.074   1.237   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       6.788   0.824   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -6.788  -0.824   0.000  1.00  0.00           N1+
HETATM   24  O   UNL     1      -6.788   0.001   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1      -6.074  -1.237   0.000  1.00  0.00           O1-
CONECT    1    2    6                                                 
CONECT    2    1    3   23                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21                                                      
CONECT   23    2   24   25                                            
CONECT   24   23                                                      
CONECT   25   23                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0L0CV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858   0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429   0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143   1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.715   1.031   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.000   0.619   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.715   1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.429   0.619   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.143   1.031   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.858   0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.143   1.856   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.000  -0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.715  -0.619   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.715  -1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.429  -1.856   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.143  -1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.143  -0.619   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.429  -0.206   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   14                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14    8   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0L0MI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.230   0.855   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.230   0.030   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.944  -0.382   0.000  1.00  0.00           N  
HETATM    4  N   UNL     1       1.659   0.030   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       1.659   0.855   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.944   1.268   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.443  -0.225   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.928   0.443   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.443   1.110   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.698   1.895   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       0.944   2.093   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.485  -0.382   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.199   0.030   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.199   0.855   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.914   1.268   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.628   0.855   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.628   0.030   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.914  -0.382   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.914   2.093   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.628   2.505   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.343   1.268   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.057   0.855   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.698  -1.009   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.146  -1.622   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.505  -1.181   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.057  -0.568   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.339  -1.451   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.787  -2.064   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.020  -1.892   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.275  -1.108   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.082  -0.936   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.634  -1.549   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.379  -2.334   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.572  -2.505   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1       3.760  -1.965   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   12                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8   23                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9                                                      
CONECT   11    6                                                      
CONECT   12    2   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   15   20                                                 
CONECT   20   19                                                      
CONECT   21   16   22                                                 
CONECT   22   21                                                      
CONECT   23    7   24   25                                            
CONECT   24   23   27                                                 
CONECT   25   23   26   35                                            
CONECT   26   25                                                      
CONECT   27   24   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   25                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0L0YA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.265   0.013   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.440   0.009   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.027   0.723   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.798   0.723   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.053   1.508   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.385   1.993   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.282   1.508   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.210   0.009   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.035   0.009   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.448  -0.706   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.448   0.723   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.749   0.681   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.534   0.427   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.534  -0.398   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1      -1.749  -0.654   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1      -3.248   0.839   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.963   0.427   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.963  -0.398   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.248  -0.811   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1      -4.677  -0.811   0.000  1.00  0.00           F  
HETATM   21  C   UNL     1       2.035  -1.420   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.448  -2.135   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.273  -2.135   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.685  -1.420   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.273  -0.706   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.685   0.009   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       4.506   0.095   0.000  1.00  0.00           O  
HETATM   28  N   UNL     1       4.677   0.902   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       3.963   1.314   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       3.350   0.762   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       3.877   2.135   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.798  -0.706   0.000  1.00  0.00           C  
CONECT    1    2   12   15                                            
CONECT    2    1    3                                                 
CONECT    3    4    7    2                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    3                                                 
CONECT    8    9    4   32                                            
CONECT    9    8   10   11                                            
CONECT   10    9   21   25                                            
CONECT   11    9                                                      
CONECT   12    1   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   19                                            
CONECT   15   14    1                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   14                                                 
CONECT   20   18                                                      
CONECT   21   10   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   10   26                                            
CONECT   26   25   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29   26                                                 
CONECT   31   29                                                      
CONECT   32    8                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0L1JQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.643  -0.911   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.643  -1.736   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.071  -2.149   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.785  -1.736   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.785  -0.911   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.071  -0.499   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.570  -1.991   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.055  -1.324   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.570  -0.656   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.358  -0.499   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.072  -0.911   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.072  -1.736   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.787  -0.499   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.501  -0.911   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.216  -0.499   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.825   0.128   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.622   0.342   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.836   1.139   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       3.632   1.352   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.846   2.149   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       4.216   0.769   0.000  1.00  0.00           O  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   16                                            
CONECT   10    1   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14                                                      
CONECT   16    9   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19                                                      
CONECT   21   19                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0L1NO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.354   0.407   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.318  -0.417   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       3.013  -0.861   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       3.745  -0.480   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       3.782   0.344   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.087   0.787   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.659   0.851   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.279   1.583   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.835   0.888   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.226   0.331   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.560   0.579   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.169   0.022   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.991  -0.783   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.205  -1.032   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.404  -0.475   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.600  -1.340   0.000  1.00  0.00           C  
HETATM   17  F   UNL     1       0.722   2.192   0.000  1.00  0.00           F  
HETATM   18  C   UNL     1       1.722   2.279   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.342   3.011   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1      -2.387  -1.091   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.995  -1.648   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.817  -2.454   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.031  -2.702   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.422  -2.146   0.000  1.00  0.00           N  
HETATM   25  H   UNL     1      -3.782  -1.399   0.000  1.00  0.00           H  
HETATM   26  F   UNL     1      -3.426  -3.011   0.000  1.00  0.00           F  
HETATM   27  N   UNL     1       2.349   2.300   0.000  1.00  0.00           N  
HETATM   28  O   UNL     1       3.064   1.887   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8    9                                            
CONECT    8    7    9   17   18                                       
CONECT    9    8    7   10                                            
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   20   24                                            
CONECT   17    8                                                      
CONECT   18    8   19   27                                            
CONECT   19   18                                                      
CONECT   20   16   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   16                                                 
CONECT   25   21                                                      
CONECT   26   22                                                      
CONECT   27   18   28                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0L1PP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.670  -2.708   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.955  -2.295   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.241  -2.708   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.526  -2.295   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.812  -2.708   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.097  -2.295   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.082  -3.422   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.467  -2.921   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.456  -3.505   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.241  -3.533   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.812  -3.533   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.526  -3.945   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.224  -4.247   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.097  -3.945   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.097  -1.470   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1      -0.383  -2.708   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.430  -0.985   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.685  -0.201   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.510  -0.201   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.765  -0.985   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.355  -1.240   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       0.355  -2.065   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1       1.069  -0.828   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.784  -1.240   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.498  -0.828   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.213  -1.240   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       2.498  -0.003   0.000  1.00  0.00           O  
HETATM   28  N   UNL     1       3.927  -0.828   0.000  1.00  0.00           N  
HETATM   29  O   UNL     1       3.213  -2.065   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       4.642  -1.240   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.054  -1.955   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.467  -1.240   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.784  -2.065   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.498  -2.478   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.498  -3.303   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.323  -3.303   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.323  -2.478   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1      -1.995   0.467   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1      -1.582   1.181   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.757   1.181   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.345   1.896   0.000  1.00  0.00           C  
HETATM   42  N   UNL     1      -0.757   2.610   0.000  1.00  0.00           N  
HETATM   43  C   UNL     1      -1.582   2.610   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1      -1.995   1.896   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1      -1.995   3.325   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1      -2.820   3.325   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.232   2.610   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1      -2.820   1.896   0.000  1.00  0.00           C  
HETATM   49  N   UNL     1       0.480   1.896   0.000  1.00  0.00           N  
HETATM   50  C   UNL     1       0.965   1.228   0.000  1.00  0.00           C  
HETATM   51  C   UNL     1       1.750   1.483   0.000  1.00  0.00           C  
HETATM   52  C   UNL     1       1.750   2.308   0.000  1.00  0.00           C  
HETATM   53  N   UNL     1       0.965   2.563   0.000  1.00  0.00           N  
HETATM   54  O   UNL     1      -3.028   4.247   0.000  1.00  0.00           O  
HETATM   55  C   UNL     1      -2.314   3.835   0.000  1.00  0.00           C  
CONECT    1    2    7    8    9                                       
CONECT    2    1    3                                                 
CONECT    3    2    4   10                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   11                                            
CONECT    6    5   15   16                                            
CONECT    7    1                                                      
CONECT    8    1                                                      
CONECT    9    1                                                      
CONECT   10    3                                                      
CONECT   11    5   12   13   14                                       
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14   11                                                      
CONECT   15    6   17   20                                            
CONECT   16    6                                                      
CONECT   17   15   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   38                                            
CONECT   20   19   15                                                 
CONECT   21   17   22   23                                            
CONECT   22   21                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25   33                                            
CONECT   25   24   26   27                                            
CONECT   26   25   28   29                                            
CONECT   27   25                                                      
CONECT   28   26   30                                                 
CONECT   29   26                                                      
CONECT   30   28   31   32                                            
CONECT   31   30   32                                                 
CONECT   32   31   30                                                 
CONECT   33   24   34                                                 
CONECT   34   33   35   37                                            
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   34                                                 
CONECT   38   19   39                                                 
CONECT   39   38   40   44                                            
CONECT   40   39   41                                                 
CONECT   41   40   42   49                                            
CONECT   42   41   43                                                 
CONECT   43   42   44   45                                            
CONECT   44   43   39   48                                            
CONECT   45   43   46                                                 
CONECT   46   45   47   54                                            
CONECT   47   46   48                                                 
CONECT   48   47   44                                                 
CONECT   49   41   50   53                                            
CONECT   50   49   51                                                 
CONECT   51   50   52                                                 
CONECT   52   51   53                                                 
CONECT   53   52   49                                                 
CONECT   54   46   55                                                 
CONECT   55   54                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
M  END

$$$$
D0L1SV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.256  -0.633   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.256   0.192   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.542   0.605   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.827   0.192   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.827  -0.633   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.542  -1.045   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.113  -1.045   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.398  -0.633   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       0.316  -1.045   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1      -0.398   0.192   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.030  -0.633   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.030   0.192   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.745   0.605   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.459   0.192   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.459  -0.633   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.745  -1.045   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.113   0.605   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.745   1.430   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.673  -1.430   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.256  -0.846   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   17                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   19   20                                       
CONECT   16   15   11                                                 
CONECT   17    4                                                      
CONECT   18   13                                                      
CONECT   19   15                                                      
CONECT   20   15                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0L1TA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.179   0.269   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.179  -0.556   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.464  -0.969   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.750  -0.556   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.750   0.269   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.464   0.681   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.035  -0.811   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1       0.520  -0.143   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.035   0.524   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.035  -1.636   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.750  -2.048   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.750  -2.873   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.464  -3.286   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.179  -2.873   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.179  -2.048   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.464  -1.636   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.035   1.349   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       0.703   1.834   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       0.448   2.619   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.377   2.619   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.632   1.834   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.932   3.286   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.753   3.200   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   17                                            
CONECT   10    7   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    9   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   17                                                 
CONECT   22   19   23                                                 
CONECT   23   22                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0L1TT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  O   UNL     1      -5.359   1.031   0.000  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.359   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.644  -0.206   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.930   0.206   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.930   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.644   1.444   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.215  -0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.786  -0.206   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.357  -0.206   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.357   0.206   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.072  -0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.786   0.206   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       2.501  -0.206   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       3.215   0.206   0.000  1.00  0.00           C  
HETATM   17  B   UNL     1       3.930  -0.206   0.000  1.00  0.00           B  
HETATM   18  O   UNL     1       4.644   0.206   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1      -2.501   1.031   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.072   1.031   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.357  -1.031   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       1.786   1.031   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.072  -1.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.786  -1.444   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.786  -2.269   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.501  -2.681   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.215  -2.269   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.215  -1.444   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.501  -1.031   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       3.930  -2.681   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       3.930  -1.031   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       3.215   1.031   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.930   1.444   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.644   1.031   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       5.359   1.444   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       5.359   2.269   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.644   2.681   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       3.930   2.269   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   19                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   20                                            
CONECT   11   10   12   21                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   23                                            
CONECT   14   13   15   22                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   32                                            
CONECT   17   16   18   31                                            
CONECT   18   17                                                      
CONECT   19    8                                                      
CONECT   20   10                                                      
CONECT   21   11                                                      
CONECT   22   14                                                      
CONECT   23   13   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27                                                      
CONECT   31   17                                                      
CONECT   32   16   33                                                 
CONECT   33   32   34   38                                            
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   33                                                 
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0L2EQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.854  -1.209   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.140  -0.797   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.426  -1.209   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.289  -0.797   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.289   0.028   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.426   0.441   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.140   0.028   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.003   0.441   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.718   0.028   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.432   0.441   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.432   1.266   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.718   1.678   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.003   1.266   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       3.217   0.186   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       3.702   0.853   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.217   1.521   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.426   1.266   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       3.629  -0.529   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.499   1.067   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.712   1.864   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       4.129   2.447   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       3.332   2.233   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.546   1.436   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.129   1.280   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.569  -0.797   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.283  -1.209   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.998  -0.797   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.712  -1.209   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.712  -2.034   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.998  -2.447   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.283  -2.034   0.000  1.00  0.00           C  
CONECT    1    2   25                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    7   17                                            
CONECT    7    6    2                                                 
CONECT    8    5    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15   18                                            
CONECT   15   14   16   19                                            
CONECT   16   15   11   22                                            
CONECT   17    6                                                      
CONECT   18   14                                                      
CONECT   19   15   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   16   23                                            
CONECT   23   22   24                                                 
CONECT   24   20   23                                                 
CONECT   25    1   26                                                 
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0L2FW
  -OEChem-09301911202D

 32 34  0     0  0  0  0  0  0999 V2000
    2.8660    1.2327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    1.7673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.2119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125   -1.3019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    1.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7458   -1.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6720   -1.6057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.2696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.1957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 19  1  0  0  0  0
  2  9  1  0  0  0  0
  2 18  2  0  0  0  0
  3 14  2  0  0  0  0
  3 18  1  0  0  0  0
  4 14  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  5 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 14  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 23  1  0  0  0  0
 15 17  1  0  0  0  0
 15 24  1  0  0  0  0
 16 17  2  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
 18 27  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END

$$$$
D0L2KM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.488  -0.838   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.488  -1.663   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.773  -2.075   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.059  -1.663   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.059  -0.838   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.773  -0.425   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.345  -2.075   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.630  -1.663   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.630  -0.838   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.345  -0.425   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.773   0.400   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.059   0.812   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1      -3.488   0.812   0.000  1.00  0.00           O  
HETATM   14 CL   UNL     1      -4.202  -0.425   0.000  1.00  0.00          Cl  
HETATM   15  C   UNL     1      -2.059   1.637   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.345   2.050   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.663   1.585   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.126   1.828   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.427   2.596   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.014   3.311   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.801   3.433   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.406   2.872   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.141   2.263   0.000  1.00  0.00           O  
HETATM   24  N   UNL     1       0.085  -2.075   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       0.171  -2.896   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.978  -3.067   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.390  -2.353   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.838  -1.740   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       2.211  -2.267   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       2.794  -2.850   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.619  -2.850   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       4.202  -3.433   0.000  1.00  0.00           O  
CONECT    1    2    6   14                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   24                                            
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    6   12   13                                            
CONECT   12   11   15                                                 
CONECT   13   11                                                      
CONECT   14    1                                                      
CONECT   15   12   16                                                 
CONECT   16   15   17   22   23                                       
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   16                                                 
CONECT   23   16                                                      
CONECT   24    8   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   24                                                 
CONECT   29   27   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0L2LF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.880   1.788   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.880   0.963   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.166   0.550   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.451   0.963   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.451   1.788   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.166   2.200   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.737   2.200   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.022   1.788   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.022   0.963   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.692   0.550   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.407   0.963   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.407   1.788   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.121   0.550   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       2.836   0.963   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       2.836   1.788   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.121   2.200   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.121   3.025   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       2.121  -0.275   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       3.550   2.200   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       3.550   3.025   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1       2.880  -3.025   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       2.880  -2.200   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.451   0.275   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       1.451  -3.025   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       1.451  -2.200   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.166  -1.788   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       2.166  -0.963   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       1.451  -0.550   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       0.737  -1.788   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       0.737  -0.963   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.022  -0.550   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.692  -0.963   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.692  -1.788   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1      -1.407  -2.200   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1      -2.836  -2.200   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.121  -1.788   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.121  -0.963   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.836  -0.550   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.550  -0.963   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.550  -1.788   0.000  1.00  0.00           C  
HETATM   41  S   UNL     1       2.320   1.736   0.000  1.00  0.00           S  
HETATM   42  S   UNL     1       1.874   1.169   0.000  1.00  0.00           S  
HETATM   43  C   UNL     1       3.550   0.550   0.000  1.00  0.00           C  
HETATM   44  S   UNL     1       1.203  -1.392   0.000  1.00  0.00           S  
HETATM   45  S   UNL     1       1.839  -1.409   0.000  1.00  0.00           S  
HETATM   46  C   UNL     1       2.880  -0.550   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10    4   32                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   13   42                                       
CONECT   12   11    8   16                                            
CONECT   13   11   14   18                                            
CONECT   14   13   15   43                                            
CONECT   15   14   16   19   41                                       
CONECT   16   15   12   17                                            
CONECT   17   16                                                      
CONECT   18   13                                                      
CONECT   19   15   20                                                 
CONECT   20   19                                                      
CONECT   21   22                                                      
CONECT   22   21   26                                                 
CONECT   23   28                                                      
CONECT   24   25                                                      
CONECT   25   24   29   26                                            
CONECT   26   22   25   27   45                                       
CONECT   27   26   28   46                                            
CONECT   28   23   27   30                                            
CONECT   29   25   33   30                                            
CONECT   30   28   29   31   44                                       
CONECT   31   30   32                                                 
CONECT   32   37   31   33    9                                       
CONECT   33   29   32   34                                            
CONECT   34   33   36                                                 
CONECT   35   40   36                                                 
CONECT   36   34   35   37                                            
CONECT   37   32   36   38                                            
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   35   39                                                 
CONECT   41   15   42                                                 
CONECT   42   41   11                                                 
CONECT   43   14                                                      
CONECT   44   30   45                                                 
CONECT   45   44   26                                                 
CONECT   46   27                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
M  END

$$$$
D0L2MA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.655   0.447   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.119  -0.235   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.614  -0.887   0.000  1.00  0.00           N  
HETATM    4  N   UNL     1      -0.838  -0.609   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.863   0.216   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.111  -1.000   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.591  -0.566   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.566   0.259   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.161   0.650   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.933   1.224   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.944  -0.260   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.086  -1.824   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.823  -2.195   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.871  -3.019   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.181  -3.471   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.556  -3.100   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.603  -2.277   0.000  1.00  0.00           C  
HETATM   18  F   UNL     1       1.246  -3.553   0.000  1.00  0.00           F  
HETATM   19  N   UNL     1       1.267   0.693   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.031   0.380   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.564   1.010   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.130   1.711   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.329   1.516   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.227  -0.421   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       3.023  -0.635   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.400   1.853   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.678   2.630   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.490   2.777   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.023   2.147   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.745   1.371   0.000  1.00  0.00           C  
HETATM   31 CL   UNL     1      -2.769   3.553   0.000  1.00  0.00          Cl  
HETATM   32  O   UNL     1      -2.795  -0.408   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -2.081  -0.821   0.000  1.00  0.00           C  
CONECT    1    2    5   10                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    1    9                                            
CONECT    6    4    7   12                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   19                                            
CONECT    9    8    5                                                 
CONECT   10    1   26   30                                            
CONECT   11    2   32                                                 
CONECT   12    6   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   12                                                 
CONECT   18   16                                                      
CONECT   19    8   20   23                                            
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   19                                                 
CONECT   24   20   25                                                 
CONECT   25   24                                                      
CONECT   26   10   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   10                                                 
CONECT   31   28                                                      
CONECT   32   11   33                                                 
CONECT   33   32                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0L2MS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  S   UNL     1      -1.238   1.565   0.000  1.00  0.00           S  
HETATM    2  C   UNL     1      -1.952   1.153   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.781   0.346   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.960   0.260   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.625   1.013   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.182   1.185   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       0.734   0.572   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1       0.437   1.969   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       1.244   2.141   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.548  -0.455   0.000  1.00  0.00           N  
HETATM   11  H   UNL     1       0.277  -0.455   0.000  1.00  0.00           H  
HETATM   12  C   UNL     1      -0.761  -1.252   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.558  -1.465   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.178  -1.835   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.619  -1.622   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.260  -2.141   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.952  -1.692   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.739  -0.895   0.000  1.00  0.00           C  
HETATM   19  S   UNL     1       0.915  -0.852   0.000  1.00  0.00           S  
CONECT    1    2    5                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    1    6                                            
CONECT    6    5    7    8                                            
CONECT    7    6   11                                                 
CONECT    8    6    9                                                 
CONECT    9    8                                                      
CONECT   10    4   11   12                                            
CONECT   11   10    7                                                 
CONECT   12   10   13   14                                            
CONECT   13   12                                                      
CONECT   14   12   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   15                                                 
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D0L2NG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.252  -1.862   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.427  -1.862   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.014  -1.147   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.427  -0.433   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.252  -0.433   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.664  -1.147   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.489  -1.147   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.569  -0.564   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       0.569  -1.731   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.394  -0.564   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.649   0.221   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.982   0.706   0.000  1.00  0.00           C  
HETATM   13  S   UNL     1       0.314   0.221   0.000  1.00  0.00           S  
HETATM   14  C   UNL     1       2.403   0.556   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.489   1.377   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.822   1.862   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.068   1.526   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    8    9                                       
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    3   10   13                                            
CONECT    9    3                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13   17                                            
CONECT   13   12    8                                                 
CONECT   14   11   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D0L2XV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.096  -0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.096  -1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.382  -1.856   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.333  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.333  -0.619   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.382  -0.206   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.881  -0.364   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.366  -1.031   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.881  -1.699   0.000  1.00  0.00           N  
HETATM   10 AR   UNL     1      -2.136   0.421   0.000  1.00  0.00          Ar  
HETATM   11  C   UNL     1      -3.191  -1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.047  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.762  -0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.476  -0.206   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       2.476   0.619   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.762   1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.047   0.619   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.762   1.856   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1       3.191  -0.619   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   12                                            
CONECT    6    5    1                                                 
CONECT    7    1    8   10                                            
CONECT    8    7    9   11                                            
CONECT    9    8    2                                                 
CONECT   10    7                                                      
CONECT   11    8                                                      
CONECT   12    5   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   12                                                 
CONECT   18   16                                                      
CONECT   19   14                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D0L3CU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.300  -0.357   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.888  -1.072   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.062  -1.072   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.650  -0.357   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.062   0.357   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.888   0.357   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.825  -0.357   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.412  -1.072   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.412  -1.072   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.825  -1.786   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.650  -1.786   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.062  -1.072   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.650  -0.357   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.825  -0.357   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.888  -1.072   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.300  -0.357   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       3.300  -1.786   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       2.888   0.357   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.412   0.357   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.412   0.357   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.825   1.072   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       0.412   1.786   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.412   1.786   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.825   1.072   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   19                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16                                                      
CONECT   19    7   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0L3RN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.841   0.428   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.127   0.841   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.412   0.428   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.302   0.841   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       1.016   0.428   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.556   0.841   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.731   0.841   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.556   0.841   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       2.143   1.556   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       3.270   0.428   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       3.270  -0.397   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       3.985   0.841   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1       1.016  -0.397   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1      -1.127   1.666   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.412  -0.397   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.556   1.666   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.270   2.079   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.985   1.666   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.985   0.841   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.270   0.428   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.127  -0.809   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.952  -0.809   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.207  -1.594   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.540  -2.079   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.872  -1.594   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   14                                            
CONECT    3    2    4   15                                            
CONECT    4    3    5                                                 
CONECT    5    4    7   13                                            
CONECT    6    1   16   20                                            
CONECT    7    5    8    9                                            
CONECT    8    7    9   10                                            
CONECT    9    8    7                                                 
CONECT   10    8   11   12                                            
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13    5                                                      
CONECT   14    2                                                      
CONECT   15    3   21                                                 
CONECT   16    6   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19    6                                                 
CONECT   21   15   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0L3TL
  -OEChem-09301911202D

 49 50  0     1  0  0  0  0  0999 V2000
    5.7011   -2.3229    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.3742   -3.4362    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.0474   -4.5496    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.8107    0.5592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3654    0.9703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1191   -0.6098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0431   -1.3832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5004    2.2869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3590   -3.2626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7613   -1.9809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6407   -2.6649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3894   -3.6099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5479   -4.4210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2006   -2.4514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7054   -5.4893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1077   -4.2076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9871   -4.8916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7683    2.2869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6343    3.7869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8503    2.5786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7683    5.2869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3660    1.0052    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3311    0.0058    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4264    1.3472    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3698   -0.2698    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7080    1.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0278   -1.2095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6383    1.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9023    2.7869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6343    2.7869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9023    3.7869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7683    4.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8930    0.2678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7544   -0.3454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2906    1.7328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9201    2.5275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1254    2.1570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0278   -1.8295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6384   -1.3172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6564    0.4229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0328   -1.2238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3654    2.4769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3654    4.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2314    5.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3052    5.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6537   -1.3703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1305   -4.6331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0948   -5.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  2  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  2  0  0  0  0
  3 12  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  2  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
 22  5  1  1  0  0  0
  5 40  1  0  0  0  0
 23  6  1  1  0  0  0
  6 41  1  0  0  0  0
  7 27  1  0  0  0  0
  8 30  2  0  0  0  0
 10 46  1  0  0  0  0
 13 47  1  0  0  0  0
 15 48  1  0  0  0  0
 16 49  1  0  0  0  0
 18 24  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 30  1  0  0  0  0
 19 32  2  0  0  0  0
 20 28  3  0  0  0  0
 21 32  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 26  1  0  0  0  0
 23 25  1  0  0  0  0
 23 33  1  0  0  0  0
 24 28  1  1  0  0  0
 25 27  1  6  0  0  0
 25 34  1  0  0  0  0
 26 35  1  0  0  0  0
 26 36  1  0  0  0  0
 26 37  1  0  0  0  0
 27 38  1  0  0  0  0
 27 39  1  0  0  0  0
 29 31  2  0  0  0  0
 29 42  1  0  0  0  0
 31 32  1  0  0  0  0
 31 43  1  0  0  0  0
M  END

$$$$
D0L3ZZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.366   0.448   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.152  -0.349   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.328  -0.392   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.033   0.378   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.674   0.897   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.674   1.722   0.000  1.00  0.00           O  
HETATM    7  O   UNL     1      -2.080   0.861   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.663   0.277   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.460   0.491   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.044  -0.093   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.830  -0.890   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.033  -1.103   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.450  -0.520   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.414  -1.473   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.210  -1.259   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.794  -1.843   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.580  -2.640   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.783  -2.853   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.200  -2.270   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.682   0.791   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.396   0.378   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.111   0.791   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.111   1.616   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.396   2.028   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.682   1.616   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.825   2.028   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       3.540   1.616   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.254   2.028   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.969   1.616   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.381   0.901   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.794   1.616   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       4.254   2.853   0.000  1.00  0.00           O  
HETATM   33  O   UNL     1       2.825   0.378   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1       3.537   0.789   0.000  1.00  0.00           C  
CONECT    1    2    5    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   20                                            
CONECT    5    4    1    6                                            
CONECT    6    5                                                      
CONECT    7    1    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20    4   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   33   21   23                                            
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   32                                            
CONECT   29   28   30   31                                            
CONECT   30   29   31                                                 
CONECT   31   30   29                                                 
CONECT   32   28                                                      
CONECT   33   34   22                                                 
CONECT   34   33                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0L4EU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.910  -1.071   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.910  -1.895   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.196  -2.308   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.481  -1.895   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.481  -1.071   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.196  -0.658   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.766  -2.308   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.052  -1.895   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.052  -1.071   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.766  -0.658   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.338  -0.658   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.338   0.167   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1       0.377  -1.071   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.330   0.652   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.075   1.437   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.750   1.437   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.005   0.652   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.115   0.397   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.728   0.949   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.512   0.694   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.125   1.246   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.954   2.053   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.169   2.308   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.556   1.756   0.000  1.00  0.00           C  
HETATM   25 CL   UNL     1       3.910   0.991   0.000  1.00  0.00          Cl  
HETATM   26  O   UNL     1      -0.338  -2.308   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1       1.286  -0.410   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   26                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12   13                                            
CONECT   12   11   14   17                                            
CONECT   13   11                                                      
CONECT   14   12   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   14   19   27                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   21                                                      
CONECT   26    8                                                      
CONECT   27   18                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0L4GL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.072  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.357  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.357  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.357   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.357   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.072  -1.031   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.072  -1.856   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.786  -2.269   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.501  -1.856   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.501  -1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.786  -0.619   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.357   1.444   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.357   1.856   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.357   2.681   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       1.072   1.444   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.786   1.856   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.357  -2.269   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.501   1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.215   1.856   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.215   2.681   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.501   3.094   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.786   2.681   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.786   0.619   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.786   1.444   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.501   1.856   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.501   2.681   0.000  1.00  0.00           O  
HETATM   29 CL   UNL     1       3.930   3.094   0.000  1.00  0.00          Cl  
HETATM   30  C   UNL     1      -3.215   3.094   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       1.072   3.094   0.000  1.00  0.00           F  
HETATM   32  O   UNL     1       0.357  -3.094   0.000  1.00  0.00           O  
HETATM   33  O   UNL     1      -0.357  -1.856   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1      -3.215   0.619   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.930   0.206   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.930  -0.619   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.215  -1.031   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.501  -0.619   0.000  1.00  0.00           C  
CONECT    1    2    6   24                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   13                                            
CONECT    7    4    8   12                                            
CONECT    8    7    9   18                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    6   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17                                                 
CONECT   17   16   19   23                                            
CONECT   18    8   32   33                                            
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   29                                            
CONECT   22   21   23                                                 
CONECT   23   22   17   31                                            
CONECT   24    1   25   26                                            
CONECT   25   24   34   38                                            
CONECT   26   24   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   30                                                 
CONECT   29   21                                                      
CONECT   30   28                                                      
CONECT   31   23                                                      
CONECT   32   18                                                      
CONECT   33   18                                                      
CONECT   34   25   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   25                                                 
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0L4OH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.342  -1.182   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.342  -2.007   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.628  -2.420   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.913  -2.007   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.913  -1.182   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.628  -0.770   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.057  -2.420   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.199  -0.770   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.484  -1.182   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.770  -0.770   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.770   0.055   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.484   0.468   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.199   0.055   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.055   0.468   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.659   0.055   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1      -0.055   1.293   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.374   0.468   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.088   0.055   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.803   0.468   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.803   1.293   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.088   1.705   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.374   1.293   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.517   1.705   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.342   1.705   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.930   2.420   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       5.057   1.293   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15   16                                            
CONECT   15   14   17                                                 
CONECT   16   14                                                      
CONECT   17   15   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   24   25   20                                            
CONECT   24   23   25   26                                            
CONECT   25   24   23                                                 
CONECT   26   24                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0L4UC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.525   0.014   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.189   0.427   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.904   0.014   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.904  -0.811   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.189  -1.223   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.525  -0.811   0.000  1.00  0.00           C  
HETATM    7  I   UNL     1      -1.618   0.427   0.000  1.00  0.00           I  
HETATM    8  C   UNL     1       1.170  -1.325   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.975  -1.142   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       2.333  -0.398   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.975   0.345   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.170   0.528   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.618  -1.223   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.333  -0.811   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.957   1.325   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   13                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    3                                                      
CONECT    8    6    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    1   15                                            
CONECT   13    4   14                                                 
CONECT   14   13                                                      
CONECT   15   12                                                      
MASTER        0    0    0    0    0    0    0    0   15    0   15    0
END
M  END

$$$$
D0L5AE
  -OEChem-09301911272D

 71 77  0     1  0  0  0  0  0999 V2000
   12.2993   -0.2600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.7960   -1.1279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8027    0.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0831    0.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3453    0.4585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4314   -0.7566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2757    1.2308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7513    0.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2546    1.4349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5004    0.1463    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0004   -0.7198    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000   -0.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1696    0.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9786   -0.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9491    0.9827    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8152    0.4827    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9491    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6812    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8152    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8152   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6812    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5751    0.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6812   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5751    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4812    0.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4812    2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5673   -0.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6004   -0.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3122    0.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6812   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5472   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5472   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4132   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4132   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1673    0.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0793   -0.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7454    0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9989    0.5108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0653   -1.3364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174   -0.5079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8924   -1.3306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4796    1.4263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6680    1.2538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0434   -1.1285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5986   -0.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4122    1.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2782    0.1727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7371    2.5653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3386    1.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2137    2.9576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4166    2.9576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2046   -0.4097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6031   -1.0999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5680   -0.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5680    3.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0169    2.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0606    0.1222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0009   -0.6666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7586   -1.1079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    0.8718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1541    1.3131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1443   -2.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5472    0.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4290   -1.3766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5472   -3.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9502   -0.7073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9502   -2.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2058   -0.7805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6782   -0.1577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3617    0.3914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8125    1.0750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  6  1  0  0  0  0
  1 35  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
 15  4  1  1  0  0  0
  5 25  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 27  1  0  0  0  0
  6 64  1  0  0  0  0
  7  9  2  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 39  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 46  1  0  0  0  0
 16 18  1  0  0  0  0
 16 20  1  1  0  0  0
 16 47  1  0  0  0  0
 17 19  1  0  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 21  1  0  0  0  0
 19 50  1  0  0  0  0
 19 51  1  0  0  0  0
 20 23  1  0  0  0  0
 20 52  1  0  0  0  0
 20 53  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 22 54  1  0  0  0  0
 23 30  2  0  0  0  0
 23 31  1  0  0  0  0
 24 26  2  0  0  0  0
 24 55  1  0  0  0  0
 25 26  1  0  0  0  0
 26 56  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 57  1  0  0  0  0
 28 58  1  0  0  0  0
 28 59  1  0  0  0  0
 29 60  1  0  0  0  0
 29 61  1  0  0  0  0
 30 32  1  0  0  0  0
 30 62  1  0  0  0  0
 31 33  2  0  0  0  0
 31 63  1  0  0  0  0
 32 34  2  0  0  0  0
 32 65  1  0  0  0  0
 33 34  1  0  0  0  0
 33 66  1  0  0  0  0
 34 67  1  0  0  0  0
 35 36  2  0  0  0  0
 36 68  1  0  0  0  0
 37 69  1  0  0  0  0
 37 70  1  0  0  0  0
 37 71  1  0  0  0  0
M  END

$$$$
D0L5NZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.858   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.858   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429   2.062   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.715   1.650   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.715   0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.000   0.412   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.715   0.825   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.715   1.650   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.000   2.062   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       1.429  -0.412   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       2.143   0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.858   0.412   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       3.572   0.825   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       3.572   1.650   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.858   2.062   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.143   1.650   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.858  -0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.143  -0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.143  -1.650   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.858  -2.062   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       3.572  -1.650   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.572  -0.825   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.429   1.238   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   13   28                                       
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17   21                                            
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   17   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28    8                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0L5RA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.787   0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.787   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.073  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.359   0.000   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.359   0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.073   1.238   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.644   1.238   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.644   2.062   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.359   2.475   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.073   2.062   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.930   0.825   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.215   1.238   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.501   0.825   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.501   0.000   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.786  -0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.786  -1.238   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.072  -1.650   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.357  -1.238   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.357  -0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.072   0.000   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.357  -1.650   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.072  -1.238   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.786  -1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.501  -1.238   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.215  -1.650   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.930  -1.238   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       4.644  -1.650   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       5.359  -1.238   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       6.073  -1.650   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       5.359  -0.412   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       6.073   0.000   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       6.073   0.825   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       4.644  -2.475   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1       5.359   1.238   0.000  1.00  0.00           O  
HETATM   35  O   UNL     1      -3.215   2.062   0.000  1.00  0.00           O  
HETATM   36  O   UNL     1       6.787   1.238   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1       6.787   2.060   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   10                                            
CONECT    7    5    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    6                                                 
CONECT   11    7   12                                                 
CONECT   12   11   13   35                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   33                                            
CONECT   28   27   29   30                                            
CONECT   29   28                                                      
CONECT   30   28   31                                                 
CONECT   31   30   32                                                 
CONECT   32   36   31   34                                            
CONECT   33   27                                                      
CONECT   34   32                                                      
CONECT   35   12                                                      
CONECT   36   37   32                                                 
CONECT   37   36                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0L5VH
  -OEChem-09301911262D

 52 55  0     1  0  0  0  0  0999 V2000
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    2.0000    2.0600    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    3.4260    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    1.6940    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301   -4.3060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -4.3060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    4.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    4.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0600    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -1.9400    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9641   -2.8060    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4641   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -3.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3309    3.8995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    4.7140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3397    5.5366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1244    5.5366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6494    4.7140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6246   -1.3411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5630   -2.9665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0467   -2.1520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5718   -1.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301   -4.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 31  1  0  0  0  0
  2 18  1  0  0  0  0
  3 18  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  2  0  0  0  0
  6 20  1  0  0  0  0
  6 47  1  0  0  0  0
  7 20  2  0  0  0  0
  8 25  1  0  0  0  0
  8 32  1  0  0  0  0
  9 14  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 26  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
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 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 18  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 16 40  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  2  0  0  0  0
 21 26  1  0  0  0  0
 22 27  2  0  0  0  0
 22 28  1  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
 24 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 29  1  0  0  0  0
 27 45  1  0  0  0  0
 28 30  2  0  0  0  0
 28 46  1  0  0  0  0
 29 31  2  0  0  0  0
 29 48  1  0  0  0  0
 30 31  1  0  0  0  0
 30 49  1  0  0  0  0
 32 50  1  0  0  0  0
 32 51  1  0  0  0  0
 32 52  1  0  0  0  0
M  END

$$$$
D0L6AM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.572   0.940   0.000  1.00  0.00           N  
HETATM    2  N   UNL     1      -3.572   0.115   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.858  -0.298   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143   0.115   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.143   0.940   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.858   1.352   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.530   1.492   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.866   2.246   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.686   2.159   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.858  -1.123   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.143  -1.535   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.429  -1.123   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.429  -0.298   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.238   2.773   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.723   1.320   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.468   0.536   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.339   0.364   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.891   0.977   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.636   1.762   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.171   1.934   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1      -0.426   2.718   0.000  1.00  0.00           F  
HETATM   22  O   UNL     1       0.594  -0.420   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.714  -1.535   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.400  -0.592   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.953   0.021   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.759  -0.150   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.714  -2.360   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.000  -2.773   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.714  -2.360   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.714  -1.535   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.000  -1.123   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1      -1.429  -2.773   0.000  1.00  0.00           F  
HETATM   33  O   UNL     1       1.429  -1.123   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1       2.143  -1.535   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.858  -1.123   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.572  -1.535   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   10                                            
CONECT    4    3    5   13                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1    9                                            
CONECT    7    5    8   15                                            
CONECT    8    7    9                                                 
CONECT    9    8    6   14                                            
CONECT   10    3   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   23                                            
CONECT   13   12    4                                                 
CONECT   14    9                                                      
CONECT   15    7   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
CONECT   22   17   24                                                 
CONECT   23   12   27   31                                            
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25                                                      
CONECT   27   23   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   23                                                 
CONECT   32   27                                                      
CONECT   33   30   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0L6CM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.588  -0.361   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.588  -1.186   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.874  -1.598   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.159  -1.186   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.159  -0.361   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.874   0.052   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.303  -1.598   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.555   0.052   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.309  -0.284   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.861   0.329   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.448   1.044   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.641   0.872   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.686   0.329   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.058   1.456   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.098  -0.385   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.923  -0.385   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.336   0.329   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.923   1.044   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.098   1.044   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.271   2.252   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.312   2.836   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.109   2.622   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.322   1.825   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.739   1.242   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.017  -1.186   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.732  -1.598   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.446  -1.186   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.161  -1.598   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.161  -2.423   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.446  -2.836   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.732  -2.423   0.000  1.00  0.00           C  
HETATM   32 CL   UNL     1       5.161   0.329   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2   25                                                 
CONECT    8    5    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    8   14                                            
CONECT   13   10   15   19                                            
CONECT   14   12   20   24                                            
CONECT   15   13   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   32                                            
CONECT   18   17   19                                                 
CONECT   19   18   13                                                 
CONECT   20   14   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   14                                                 
CONECT   25    7   26                                                 
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   17                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0L6XG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786   2.064   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786   1.239   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072   0.826   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357   1.239   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.357   2.064   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.072   2.476   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.501   1.651   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.215   1.239   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.215   0.414   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.501   0.001   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.786   0.414   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.357   2.476   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       1.072   2.064   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1       0.357   3.301   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.786   2.476   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.501   2.064   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.215   2.476   0.000  1.00  0.00           O  
HETATM   18  S   UNL     1      -2.501  -0.824   0.000  1.00  0.00           S  
HETATM   19  O   UNL     1      -1.786  -1.236   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1      -3.215  -1.236   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.501  -1.649   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.215  -2.061   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.215  -2.886   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.501  -3.299   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.786  -2.886   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.786  -2.061   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -2.501  -4.124   0.000  1.00  0.00           F  
HETATM   28  C   UNL     1       1.786   3.301   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1       2.608   3.301   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1       1.786   4.124   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1       0.964   3.301   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7   11                                       
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   12                                            
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   18                                            
CONECT   11   10    2                                                 
CONECT   12    5   13   14                                            
CONECT   13   12   15                                                 
CONECT   14   12                                                      
CONECT   15   28   13   16                                            
CONECT   16   15   17                                                 
CONECT   17   16                                                      
CONECT   18   10   19   20   21                                       
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   18   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   24                                                      
CONECT   28   29   30   31   15                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0L7HC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287  -1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287  -2.062   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572  -2.475   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858  -2.062   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858  -1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.572  -0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.143  -0.825   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.429  -1.238   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.715  -0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.000  -1.238   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.715  -0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.715   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.000   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.715   0.000   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM   16  CA  UNL     1       1.429   1.238   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.143   1.650   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       2.858   1.238   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.572   1.650   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       4.287   1.238   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       0.715   1.650   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       0.000   1.238   0.000  1.00  0.00           O  
HETATM   23  OXT UNL     1       0.715   2.475   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       2.858   0.412   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1       3.572   2.475   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1      -3.572   0.000   0.000  1.00  0.00           N1+
HETATM   27  O   UNL     1      -2.860   0.411   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1      -4.284   0.411   0.000  1.00  0.00           O1-
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6   26    5    1                                            
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   24                                            
CONECT   19   18   20   25                                            
CONECT   20   19                                                      
CONECT   21   16   22   23                                            
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24   18                                                      
CONECT   25   19                                                      
CONECT   26   27   28    6                                            
CONECT   27   26                                                      
CONECT   28   26                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0L7HG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.644   2.062   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.644   1.238   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.930   0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.215   1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.215   2.062   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.930   2.475   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.930   0.000   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.215  -0.412   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.644  -0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.359   0.000   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.073  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.073  -1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.359  -1.650   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.644  -1.238   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.215  -1.238   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.501  -1.650   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.786  -1.238   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.786  -0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.501   0.000   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.072  -1.650   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.357  -1.238   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1      -1.072  -2.475   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       0.357  -1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.072  -1.238   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.786  -1.650   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.501  -1.238   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.215  -1.650   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.930  -1.238   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.644  -1.650   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       5.359  -1.238   0.000  1.00  0.00           N  
HETATM   31  O   UNL     1       6.073  -1.650   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       4.644  -2.475   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8    9                                            
CONECT    8    7   15   19                                            
CONECT    9    7   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    8   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18    8                                                 
CONECT   20   17   21   22                                            
CONECT   21   20   23                                                 
CONECT   22   20                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30                                                      
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0L7MP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.762  -1.126   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.762  -1.951   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.047  -2.363   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.333  -1.951   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.333  -1.126   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.047  -0.713   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.452  -2.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.937  -1.538   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.452  -0.871   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.707  -0.086   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.493   0.711   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.221   1.123   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.221   1.948   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.936   2.361   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.650   1.948   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.650   1.123   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.936   0.711   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.148   1.213   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       1.762  -1.538   0.000  1.00  0.00           O  
HETATM   20 CL   UNL     1      -1.047   0.112   0.000  1.00  0.00          Cl  
HETATM   21  O   UNL     1       0.491   2.363   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       1.206   1.951   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   20                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   19                                            
CONECT    9    8    5   10                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   18                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14   21                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   11                                                      
CONECT   19    8                                                      
CONECT   20    6                                                      
CONECT   21   13   22                                                 
CONECT   22   21                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0L7OR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.294  -1.212   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.294  -2.034   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.006  -2.445   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.718  -2.034   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.718  -1.212   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.006  -0.801   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.430  -2.445   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       3.142  -2.034   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.854  -2.445   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       4.566  -2.034   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       4.566  -1.212   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.854  -0.801   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.142  -1.212   0.000  1.00  0.00           C  
HETATM   14  S   UNL     1       5.348  -2.288   0.000  1.00  0.00           S  
HETATM   15  C   UNL     1       5.831  -1.623   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       5.348  -0.958   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       1.006   0.021   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.718   0.432   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.430   0.021   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.718   1.254   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.418  -0.801   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.504   0.017   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1      -1.308   0.188   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.719  -0.524   0.000  1.00  0.00           C  
HETATM   25  S   UNL     1      -1.169  -1.135   0.000  1.00  0.00           S  
HETATM   26  C   UNL     1      -2.537  -0.610   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.871  -1.361   0.000  1.00  0.00           O  
HETATM   28  N   UNL     1      -3.020   0.055   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.766   0.837   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.431   1.320   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.096   0.837   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.842   0.055   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1      -4.878   1.091   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1      -5.049   1.895   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.831   2.149   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1      -4.438   2.445   0.000  1.00  0.00           O  
CONECT    1    2    6   21                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   17                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    6   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21    1   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   21                                                 
CONECT   26   24   27   28                                            
CONECT   27   26                                                      
CONECT   28   26   29   32                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   33                                            
CONECT   32   31   28                                                 
CONECT   33   31   34                                                 
CONECT   34   33   35   36                                            
CONECT   35   34                                                      
CONECT   36   34                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0L7SK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.086   0.908   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.086   0.083   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.371  -0.329   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.343   0.083   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.343   0.908   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.371   1.321   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.371  -1.154   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.086  -1.567   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.800  -1.154   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       1.058  -0.329   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.772   0.083   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.486  -0.329   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.201   0.083   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.201   0.908   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.486   1.321   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.772   0.908   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       3.846  -0.431   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       4.650  -0.247   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       5.008   0.496   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.650   1.239   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.846   1.423   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       5.115  -0.929   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       5.938  -0.867   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       6.296  -0.124   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.831   0.557   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       5.165   1.884   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       3.662  -1.235   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.662   2.227   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.800   1.321   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.800   2.146   0.000  1.00  0.00           O  
HETATM   31  N   UNL     1      -2.515   0.908   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1      -3.269   1.244   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.821   0.631   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.408  -0.084   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.601   0.088   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1      -4.646   0.631   0.000  1.00  0.00           N  
HETATM   37  C   UNL     1      -5.058  -0.084   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.883  -0.084   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.296  -0.798   0.000  1.00  0.00           C  
HETATM   40  N   UNL     1      -5.883  -1.513   0.000  1.00  0.00           N  
HETATM   41  C   UNL     1      -5.058  -1.513   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.646  -0.798   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.296  -2.227   0.000  1.00  0.00           C  
CONECT    1    2    6   29                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8                                                      
CONECT   10    4   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15   21                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   13   18   27                                            
CONECT   18   17   19   22                                            
CONECT   19   18   20   25                                            
CONECT   20   19   21   26                                            
CONECT   21   20   14   28                                            
CONECT   22   18   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   19                                                 
CONECT   26   20                                                      
CONECT   27   17                                                      
CONECT   28   21                                                      
CONECT   29    1   30   31                                            
CONECT   30   29                                                      
CONECT   31   29   32   35                                            
CONECT   32   31   33                                                 
CONECT   33   32   34   36                                            
CONECT   34   33   35                                                 
CONECT   35   34   31                                                 
CONECT   36   33   37                                                 
CONECT   37   36   38   42                                            
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41   43                                            
CONECT   41   40   42                                                 
CONECT   42   41   37                                                 
CONECT   43   40                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
M  END

$$$$
D0L7XM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.547   0.344   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.208   0.677   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.874   0.190   0.000  1.00  0.00           N  
HETATM    4  N   UNL     1      -0.208   1.502   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.922   1.915   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.922   2.740   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.637   3.152   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.351   2.740   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.351   1.915   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.637   1.502   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.066   3.152   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.786  -0.630   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.031  -0.964   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.635  -0.477   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.389  -0.810   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.478  -1.631   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.232  -1.964   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.899  -1.477   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.810  -0.657   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.056  -0.324   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.653  -1.811   0.000  1.00  0.00           N  
HETATM   22  S   UNL     1       3.742  -2.631   0.000  1.00  0.00           S  
HETATM   23  O   UNL     1       3.075  -3.118   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       4.496  -2.965   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       3.742  -3.456   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.782   2.742   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -3.369   2.027   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -4.496   2.329   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -4.194   3.456   0.000  1.00  0.00           F  
CONECT    1    2   14                                                 
CONECT    2    1    3    4                                            
CONECT    3    2   12                                                 
CONECT    4    2    5                                                 
CONECT    5    4    6   10                                            
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    8   26                                                 
CONECT   12    3   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    1   15                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23   24   25                                       
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25   22                                                      
CONECT   26   11   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0L7YW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.652  -1.286   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.867  -1.033   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.867  -0.208   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.649   0.049   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.135  -0.618   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.153  -1.447   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.438  -1.033   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.438  -0.208   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.153   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.153   1.031   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.439   1.444   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.439   2.268   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.153   2.681   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.868   2.268   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.868   1.444   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.277  -1.445   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       0.991  -1.032   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.706  -1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.706  -2.269   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.421  -2.681   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.135  -2.269   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.135  -1.444   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.421  -1.032   0.000  1.00  0.00           N  
HETATM   24  F   UNL     1       0.276   1.031   0.000  1.00  0.00           F  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    1                                                 
CONECT    6    2    7                                                 
CONECT    7    6    8   16                                            
CONECT    8    7    9                                                 
CONECT    9    8    3   10                                            
CONECT   10    9   11   15                                            
CONECT   11   10   12   24                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    7   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   11                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0L8BY
  -OEChem-09301911142D

 52 53  0     1  0  0  0  0  0999 V2000
    5.4071   -0.4505    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6373    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8614   -3.8286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4328   -4.3241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2517   -2.6015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6248   -6.2557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0260   -5.2376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2627   -2.8106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    6.1373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    6.1373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6859   -2.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6804   -2.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -1.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -1.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8505   -3.6196    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2682   -2.9151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891   -0.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4437   -4.5331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5103   -2.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8450   -3.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0315   -5.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1286   -2.4824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8568   -2.8066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2376   -1.8343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5095   -1.5101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2339   -3.6844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5149   -2.2442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1994   -0.2589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9297   -4.1864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0130   -4.9791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0087   -1.8462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1459   -2.7122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0119   -2.5750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0494   -4.2592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    4.4473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.4473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9892   -6.7573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    6.7573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    5.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    6.7573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 21  1  0  0  0  0
  2 27  1  0  0  0  0
  3 18  2  0  0  0  0
  4 24  1  0  0  0  0
  4 26  1  0  0  0  0
  5 23  1  0  0  0  0
  5 45  1  0  0  0  0
  6 23  2  0  0  0  0
  7 25  1  0  0  0  0
  7 49  1  0  0  0  0
  8 24  2  0  0  0  0
  9 25  2  0  0  0  0
 17 10  1  6  0  0  0
 10 18  1  0  0  0  0
 10 38  1  0  0  0  0
 11 32  1  0  0  0  0
 11 50  1  0  0  0  0
 11 51  1  0  0  0  0
 12 32  2  0  0  0  0
 12 52  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 18  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  2  0  0  0  0
 16 19  1  0  0  0  0
 16 22  1  0  0  0  0
 17 20  1  0  0  0  0
 17 23  1  0  0  0  0
 17 37  1  0  0  0  0
 19 21  2  0  0  0  0
 19 39  1  0  0  0  0
 20 25  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 24  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  2  0  0  0  0
 28 46  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 30 47  1  0  0  0  0
 31 48  1  0  0  0  0
M  END

$$$$
D0L8KM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.992   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.992  -0.825   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.278  -1.238   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.437  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.437   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.278   0.412   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       1.222  -1.080   0.000  1.00  0.00           O  
HETATM    8  N   UNL     1       1.706  -0.412   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.222   0.255   0.000  1.00  0.00           C  
HETATM   10 CL   UNL     1      -1.706   0.412   0.000  1.00  0.00          Cl  
HETATM   11  C   UNL     1      -0.278   1.238   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.706  -1.238   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.435   1.052   0.000  1.00  0.00           N  
CONECT    1    2    6   10                                            
CONECT    2    1    3   12                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   13                                            
CONECT   10    1                                                      
CONECT   11    6                                                      
CONECT   12    2                                                      
CONECT   13    9                                                      
MASTER        0    0    0    0    0    0    0    0   13    0   13    0
END
M  END

$$$$
D0L8QD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -5.057   1.444   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.057   0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.342   0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.628   0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.628   1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.342   1.856   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -4.342  -0.619   0.000  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -2.913   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.913  -0.619   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.199   0.619   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.484   0.206   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.484  -0.619   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.770   0.619   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.055   0.206   0.000  1.00  0.00           N  
HETATM   15  N   UNL     1      -0.055  -0.619   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       0.659  -1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.374  -0.619   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.374   0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.659   0.619   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       0.659   1.444   0.000  1.00  0.00           O  
HETATM   21 CL   UNL     1       2.088   0.619   0.000  1.00  0.00          Cl  
HETATM   22  N   UNL     1       2.088  -1.031   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.803  -0.619   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.517  -1.031   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.232  -0.619   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.232   0.206   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.517   0.619   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.803   0.206   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.517  -0.206   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.644   0.921   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.057   0.206   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.517  -1.856   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3                                                      
CONECT    8    4    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19   21                                            
CONECT   19   18   14   20                                            
CONECT   20   19                                                      
CONECT   21   18                                                      
CONECT   22   17   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25   32                                            
CONECT   25   24   26   29                                            
CONECT   26   25   27   30   31                                       
CONECT   27   26   28   29                                            
CONECT   28   27   23                                                 
CONECT   29   27   25                                                 
CONECT   30   26                                                      
CONECT   31   26                                                      
CONECT   32   24                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0L8VH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.543  -0.236   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.516  -1.058   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.208  -1.446   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.907  -1.012   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.880  -0.191   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.156   0.198   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.631  -1.400   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.268   0.152   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.942  -0.318   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.294   0.974   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.719  -0.048   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.216  -0.703   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.746  -1.378   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.959  -1.139   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.744  -2.215   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.553  -2.360   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.941  -1.635   0.000  1.00  0.00           N  
HETATM   18  N   UNL     1       2.372  -1.042   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.559  -0.242   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.957   0.739   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.346  -0.004   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.533   0.797   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.933   1.359   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.147   1.121   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.959   0.321   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.394   1.339   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.632   2.126   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.433   2.313   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.995   1.714   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.757   0.927   0.000  1.00  0.00           C  
HETATM   31 CL   UNL     1       3.121   2.160   0.000  1.00  0.00          Cl  
HETATM   32 CL   UNL     1       4.320   1.035   0.000  1.00  0.00          Cl  
HETATM   33  F   UNL     1      -3.671   3.100   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -4.320   0.327   0.000  1.00  0.00           F  
HETATM   35  N   UNL     1      -3.461  -1.790   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1       2.911  -3.100   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.334  -2.092   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.461  -2.615   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.175  -1.378   0.000  1.00  0.00           C  
CONECT    1    2    6    8                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4   15   18                                            
CONECT    8    1    9   10                                            
CONECT    9    8   11   14                                            
CONECT   10    8                                                      
CONECT   11    9   12   20                                            
CONECT   12   11   13                                                 
CONECT   13   37   12   14   35                                       
CONECT   14   13    9                                                 
CONECT   15    7   16                                                 
CONECT   16   36   15   17                                            
CONECT   17   16   18                                                 
CONECT   18   17    7   19                                            
CONECT   19   18   21   25                                            
CONECT   20   11   26   30                                            
CONECT   21   19   22                                                 
CONECT   22   21   23   32                                            
CONECT   23   22   24   31                                            
CONECT   24   23   25                                                 
CONECT   25   24   19                                                 
CONECT   26   20   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   20   34                                            
CONECT   31   23                                                      
CONECT   32   22                                                      
CONECT   33   28                                                      
CONECT   34   30                                                      
CONECT   35   38   39   13                                            
CONECT   36   16                                                      
CONECT   37   13                                                      
CONECT   38   35                                                      
CONECT   39   35                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0L9BG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.992  -1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.992  -2.475   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.278  -2.888   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.437  -2.475   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.437  -1.650   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.278  -1.238   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.222  -2.730   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.706  -2.062   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.222  -1.395   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.278  -0.412   0.000  1.00  0.00           N  
HETATM   11 BR   UNL     1      -1.706  -2.888   0.000  1.00  0.00          Br  
HETATM   12  C   UNL     1       0.437   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.437   0.825   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.278   1.238   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.992   0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.992   0.000   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.020   1.408   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.234   0.612   0.000  1.00  0.00           C  
HETATM   19  S   UNL     1      -0.278   2.062   0.000  1.00  0.00           S  
HETATM   20  C   UNL     1      -0.278   2.888   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.103   2.062   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       0.547   2.062   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    6   12   16                                            
CONECT   11    2                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14   17   18                                       
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   10                                                 
CONECT   17   13                                                      
CONECT   18   13                                                      
CONECT   19   14   20   21   22                                       
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   19                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0L9FL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572   2.474   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572   1.649   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.858   1.237   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143   1.649   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143   2.474   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.858   2.887   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429   1.237   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.715   1.649   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.715   2.474   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.429   2.887   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1       0.000   2.887   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.000   1.237   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.000   0.412   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       0.715   1.649   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.715  -0.001   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.715  -0.826   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.429  -1.238   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.429  -2.063   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.715  -2.476   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.000  -2.063   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.000  -1.238   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.715  -0.826   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.429  -1.238   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.143  -0.826   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.858  -1.238   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.572  -0.826   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.572  -0.001   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.858   0.412   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.143  -0.001   0.000  1.00  0.00           C  
HETATM   30  H   UNL     1      -2.858   3.712   0.000  1.00  0.00           H  
HETATM   31  C   UNL     1      -4.287   2.887   0.000  1.00  0.00           C  
HETATM   32  H   UNL     1      -4.287   1.237   0.000  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.858   0.412   0.000  1.00  0.00           H  
HETATM   34  O   UNL     1      -0.715  -3.301   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1      -0.003  -3.712   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1      -2.143  -0.826   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1      -2.855  -1.237   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1       4.287   0.412   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1       4.287   1.234   0.000  1.00  0.00           C  
CONECT    1    2    6   31                                            
CONECT    2    1    3   32                                            
CONECT    3    2    4   33                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   30                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9                                                      
CONECT   12    8   13   14                                            
CONECT   13   12   15                                                 
CONECT   14   12                                                      
CONECT   15   13   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   36   16   18                                            
CONECT   18   17   19                                                 
CONECT   19   34   18   20                                            
CONECT   20   19   21                                                 
CONECT   21   20   16   22                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   38   26   28                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30    6                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34   35   19                                                 
CONECT   35   34                                                      
CONECT   36   37   17                                                 
CONECT   37   36                                                      
CONECT   38   39   27                                                 
CONECT   39   38                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0L9XU
  -OEChem-09301911242D

 53 55  0     0  0  0  0  0  0999 V2000
    5.4641    3.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -5.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    5.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -5.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -6.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    0.6074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    1.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    2.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    2.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -0.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -0.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    4.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    3.6074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -5.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5762   -6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -6.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8162   -6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 42  1  0  0  0  0
  2 13  2  0  0  0  0
  3 22  1  0  0  0  0
  3 24  1  0  0  0  0
  4 17  2  0  0  0  0
  5 28  1  0  0  0  0
  5 31  1  0  0  0  0
  6 26  1  0  0  0  0
  6 50  1  0  0  0  0
  7 26  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 17  1  0  0  0  0
  9 23  1  0  0  0  0
  9 43  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 14  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 16  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 38  1  0  0  0  0
 19 21  2  0  0  0  0
 19 39  1  0  0  0  0
 20 22  2  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 41  1  0  0  0  0
 23 26  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  2  0  0  0  0
 25 28  2  0  0  0  0
 25 46  1  0  0  0  0
 27 29  1  0  0  0  0
 27 47  1  0  0  0  0
 28 30  1  0  0  0  0
 29 30  2  0  0  0  0
 29 48  1  0  0  0  0
 30 49  1  0  0  0  0
 31 51  1  0  0  0  0
 31 52  1  0  0  0  0
 31 53  1  0  0  0  0
M  END

$$$$
D0LA0Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.170   1.931   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.170   1.106   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.885   0.693   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.599   1.106   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.599   1.931   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.885   2.343   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.313   2.343   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.456   0.693   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.259   1.106   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.259   1.931   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.973   2.343   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.688   1.931   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.688   1.106   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.973   0.693   0.000  1.00  0.00           C  
HETATM   15  H   UNL     1      -0.973   3.168   0.000  1.00  0.00           H  
HETATM   16  S   UNL     1      -2.301   0.554   0.000  1.00  0.00           S  
HETATM   17  C   UNL     1      -1.965  -0.200   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.145  -0.114   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.378  -0.914   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.965  -1.629   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.378  -2.343   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.965  -3.058   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.140  -3.058   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.728  -2.343   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.140  -1.629   0.000  1.00  0.00           C  
HETATM   26  H   UNL     1      -0.728  -0.914   0.000  1.00  0.00           H  
HETATM   27  C   UNL     1       4.028   1.931   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.313   3.168   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.028   2.756   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.203  -2.343   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -3.203  -3.168   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -4.028  -2.343   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -3.203  -1.518   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5   27   28   29                                       
CONECT    8    2    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13    9   18                                            
CONECT   15   11                                                      
CONECT   16   13   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   14                                                 
CONECT   19   17   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22   30                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20   26                                            
CONECT   26   25                                                      
CONECT   27    7                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30   21   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0LA2R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  H   UNL     1      -2.501  -0.206   0.000  1.00  0.00           H  
HETATM    2  O   UNL     1      -1.786   0.206   0.000  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.072  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.357  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.072   0.206   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       1.786  -0.206   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1      -1.072  -1.031   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1      -0.357   1.031   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1       1.072   1.031   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1       0.357  -1.031   0.000  1.00  0.00           O  
HETATM   12  H   UNL     1       2.501   0.206   0.000  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6   11                                            
CONECT    6    5    7   10                                            
CONECT    7    6   12                                                 
CONECT    8    3                                                      
CONECT    9    4                                                      
CONECT   10    6                                                      
CONECT   11    5                                                      
CONECT   12    7                                                      
MASTER        0    0    0    0    0    0    0    0   12    0   12    0
END
M  END

$$$$
D0LA9D
  -OEChem-09301911122D

 42 44  0     0  0  0  0  0  0999 V2000
    7.6962   -2.1249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.4909    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962   -3.8569    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5211    2.0969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.0091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0091    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1391    2.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    3.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    3.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2423    3.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.0986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    0.5917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -1.9659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -1.9659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.9840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.9840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.8833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.5735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -2.8009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.1809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.6109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    0.3191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7288    1.9053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1946    3.5495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7439    4.2214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8779    4.3585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7408    3.4925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 19  1  0  0  0  0
  3 19  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 21  1  0  0  0  0
  5 23  1  0  0  0  0
  6 20  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 14  1  0  0  0  0
  8 20  1  0  0  0  0
  8 37  1  0  0  0  0
  9 12  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 13  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 16  1  0  0  0  0
 15 18  2  0  0  0  0
 15 34  1  0  0  0  0
 16 17  2  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 36  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 24  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  END

$$$$
D0LB3J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.373   0.584   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.198   0.584   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.611   1.299   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.198   2.013   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.373   2.013   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.039   1.299   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.864   1.299   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.349   1.966   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -2.134   1.711   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.134   0.886   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.349   0.631   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.848   2.124   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.563   1.711   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.563   0.886   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.848   0.474   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.848   2.949   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.277   0.474   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.094  -0.153   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.646  -0.766   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.391  -1.551   0.000  1.00  0.00           N  
HETATM   21  O   UNL     1      -2.453  -0.595   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.943  -2.164   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.584  -1.723   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.688  -2.949   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.329  -2.507   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.134   0.999   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       2.848   0.586   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.563   0.999   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1       4.277   0.586   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   26                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11   15                                            
CONECT   11   10    7   18                                            
CONECT   12    9   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   10                                                 
CONECT   16   12                                                      
CONECT   17   14                                                      
CONECT   18   11   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   22   23                                            
CONECT   21   19                                                      
CONECT   22   20   24                                                 
CONECT   23   20   25                                                 
CONECT   24   22                                                      
CONECT   25   23                                                      
CONECT   26    3   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0LB6Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.715   1.956   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.715   1.131   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.000   0.719   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.715   1.131   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.715   1.956   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.000   2.369   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429   0.719   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.429   0.719   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.183   1.054   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.735   0.441   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.322  -0.274   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.515  -0.102   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       1.510  -0.103   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.322  -0.274   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.735   0.441   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.183   1.054   0.000  1.00  0.00           N  
HETATM   17 AU   UNL     1       0.036  -0.278   0.000  1.00  0.00          Au  
HETATM   18  C   UNL     1       0.036  -1.103   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.629  -1.587   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.375  -2.369   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.447  -2.369   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       0.701  -1.587   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.411  -1.333   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.483  -1.333   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.735  -0.988   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.560  -0.988   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.972  -0.274   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.560   0.441   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.560   0.441   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.972  -0.274   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.560  -0.988   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.735  -0.988   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4   17                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    9   12                                            
CONECT    8    4   13   16                                            
CONECT    9    7   10                                                 
CONECT   10    9   11   29                                            
CONECT   11   10   12   32                                            
CONECT   12   11    7   17                                            
CONECT   13    8   14   17                                            
CONECT   14   13   15   25                                            
CONECT   15   14   16   28                                            
CONECT   16   15    8                                                 
CONECT   17   18    3   12   13                                       
CONECT   18   17   19   22                                            
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   18   24                                            
CONECT   23   19                                                      
CONECT   24   22                                                      
CONECT   25   14   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   15                                                 
CONECT   29   10   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   11                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0LB7I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.359   1.903   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.359   1.078   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.644   0.665   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.930   1.078   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.930   1.903   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.644   2.316   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.145   0.823   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.660   1.490   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.145   2.158   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.165   1.490   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.577   0.776   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.402   0.776   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.815   1.490   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.402   2.205   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.577   2.205   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.890   0.038   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.442  -0.575   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.188  -1.359   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.381  -1.531   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.171  -0.918   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1      -0.084  -0.133   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1      -0.126  -2.316   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       0.968  -1.131   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.182  -1.928   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.979  -2.142   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       2.562  -1.558   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.349  -0.761   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.552  -0.548   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.359  -1.772   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   16                                            
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    7   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21   23                                            
CONECT   21   20   16                                                 
CONECT   22   19                                                      
CONECT   23   20   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0LB7Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.290  -0.547   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.425  -0.135   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.139  -0.547   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.853  -0.135   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.004  -0.135   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       0.425   0.690   0.000  1.00  0.00           O  
HETATM    7  N   UNL     1       2.607  -0.470   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1       3.159   0.143   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.747   0.857   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.940   0.686   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.833   1.678   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.779  -1.277   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.091   0.686   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.898   0.857   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.310   0.143   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.758  -0.470   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.930  -1.277   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.714  -1.532   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.886  -2.339   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.273  -2.891   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.488  -2.636   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.317  -1.829   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.306   1.682   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.020   2.095   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.020   2.920   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.735   3.332   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -0.875  -3.188   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -2.444  -3.698   0.000  1.00  0.00           F  
HETATM   29  C   UNL     1       1.327   1.238   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.547   2.090   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       3.376   2.897   0.000  1.00  0.00           N  
HETATM   32  N   UNL     1       2.555   2.984   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       2.220   2.230   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.143   3.698   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.166  -1.829   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.337  -2.636   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.122  -2.891   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       3.735  -2.339   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       3.563  -1.532   0.000  1.00  0.00           C  
HETATM   40  F   UNL     1       3.293  -3.698   0.000  1.00  0.00           F  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    7   10                                            
CONECT    5    1   13   16                                            
CONECT    6    2                                                      
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    4   29                                            
CONECT   11    9   30   33                                            
CONECT   12    7   35   39                                            
CONECT   13    5   14                                                 
CONECT   14   13   15   23                                            
CONECT   15   14   16                                                 
CONECT   16   15    5   17                                            
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   28                                            
CONECT   21   20   22   27                                            
CONECT   22   21   17                                                 
CONECT   23   14   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25                                                      
CONECT   27   21                                                      
CONECT   28   20                                                      
CONECT   29   10                                                      
CONECT   30   11   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   34                                            
CONECT   33   32   11                                                 
CONECT   34   32                                                      
CONECT   35   12   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38   40                                            
CONECT   38   37   39                                                 
CONECT   39   38   12                                                 
CONECT   40   37                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0LB8Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.869   0.908   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.869   0.084   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.155  -0.329   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.440   0.084   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.440   0.908   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.155   1.321   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.726   1.321   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.011   0.908   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.011   0.084   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.297  -0.329   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.582   0.084   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.582   0.908   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.297   1.321   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.868   1.321   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.153   0.908   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.153   0.084   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.561  -0.329   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.276   0.084   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.276   0.908   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.561   1.321   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.990  -0.329   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.705   0.084   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1       1.990  -1.154   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       3.419  -0.329   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       3.505  -1.149   0.000  1.00  0.00           N  
HETATM   26  O   UNL     1       4.312  -1.321   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       4.725  -0.607   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.173   0.007   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.532  -0.435   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.787   0.350   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.235   0.963   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.428   0.791   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1       6.584   0.563   0.000  1.00  0.00           F  
HETATM   34 CL   UNL     1      -6.584  -0.329   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3   34                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    8                                                 
CONECT   14   12   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22   23                                            
CONECT   22   21   24                                                 
CONECT   23   21                                                      
CONECT   24   22   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   24   32                                            
CONECT   29   27   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   28                                                 
CONECT   33   30                                                      
CONECT   34    2                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0LC2G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -0.412   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.715  -0.412   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.000   0.000   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1       0.715  -0.412   0.000  1.00  0.00           O  
HETATM    6  O   UNL     1       0.000   0.825   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1       1.429   0.000   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.429   0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.143   1.238   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.858   0.825   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.858   0.000   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.143  -0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.858   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.572  -0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.143  -1.238   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.572  -0.412   0.000  1.00  0.00           C  
CONECT    1    2    3                                                 
CONECT    2    1   13                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    7                                                 
CONECT    6    4                                                      
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11    7   15                                            
CONECT   13    2   14                                                 
CONECT   14   13                                                      
CONECT   15   12                                                      
CONECT   16   11                                                      
MASTER        0    0    0    0    0    0    0    0   16    0   16    0
END
M  END

$$$$
D0LC5Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215   0.636   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215  -0.189   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.501  -0.601   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.786  -0.189   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.786   0.636   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.501   1.049   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.501  -1.426   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.072  -0.601   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.357  -0.189   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.357  -0.601   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.072  -0.189   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.072   0.636   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.357   1.049   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.357   0.636   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.786   1.049   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       2.501   0.636   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1       1.786   1.874   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       3.215   1.049   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.168  -1.911   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.913  -2.696   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.088  -2.696   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.833  -1.911   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.930   1.049   0.000  1.00  0.00           C  
HETATM   24  F   UNL     1      -3.519   1.761   0.000  1.00  0.00           F  
HETATM   25  F   UNL     1      -4.642   1.460   0.000  1.00  0.00           F  
HETATM   26  F   UNL     1      -4.341   0.337   0.000  1.00  0.00           F  
HETATM   27  C   UNL     1       3.930   0.636   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1       3.519  -0.076   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1       4.642   0.225   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1       4.341   1.348   0.000  1.00  0.00           F  
HETATM   31  C   UNL     1       3.215   1.874   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1       4.037   1.874   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       3.215   2.696   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       2.393   1.874   0.000  1.00  0.00           F  
CONECT    1   23    2    6                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3   19   22                                            
CONECT    8    4    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   27   31   16                                            
CONECT   19    7   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21    7                                                 
CONECT   23   24   25   26    1                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23                                                      
CONECT   27   28   29   30   18                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
CONECT   31   32   33   34   18                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0LE6B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.429  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.715  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.000  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.715  -0.412   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.715  -0.412   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.715   0.412   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       0.000   0.825   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.715   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.715   1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.429   1.650   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.143   2.062   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.858   1.650   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.858   0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.429   0.825   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.143   0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.858   0.825   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1      -2.143  -2.062   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3   21                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   10                                            
CONECT    7    5    8                                                 
CONECT    8    7    9   18                                            
CONECT    9    8   10                                                 
CONECT   10    9    6   11   12                                       
CONECT   11   10   13   17                                            
CONECT   12   10                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   11                                                 
CONECT   18    8   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19                                                      
CONECT   21    2                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0LF0B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.684  -0.739   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.684  -1.564   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.970  -1.976   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.255  -1.564   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.255  -0.739   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.970  -0.326   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.471  -1.819   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.014  -1.151   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.471  -0.484   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.216   0.301   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.581   0.514   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.222  -0.005   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.914   0.444   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.701   1.241   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.877   1.284   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.427   1.976   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1       2.684   0.149   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.220   1.882   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15   18                                            
CONECT   15   14   11   16                                            
CONECT   16   15                                                      
CONECT   17   13                                                      
CONECT   18   14                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D0LG1I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.033  -1.401   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.631  -2.122   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.807  -2.134   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.384  -1.426   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.785  -0.705   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.610  -0.693   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.559  -1.438   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.146  -0.724   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.321  -0.724   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.909  -0.009   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.321   0.705   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.146   0.705   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.559  -0.009   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.909   1.420   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.084   1.420   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.329   0.705   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.154   0.705   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.566   1.420   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.154   2.134   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.329   2.134   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.391   1.420   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.804   0.705   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.629   0.705   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       4.041   1.420   0.000  1.00  0.00           O  
HETATM   25  N   UNL     1       4.041  -0.009   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1       2.391  -0.009   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       3.706  -0.763   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.319  -1.315   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.033  -0.902   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.862  -0.095   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.897  -0.932   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       3.704  -0.761   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24   25                                            
CONECT   24   23                                                      
CONECT   25   23   27   30                                            
CONECT   26   22                                                      
CONECT   27   25   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   27   32                                                 
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0LH0O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.205   0.205   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.205  -0.620   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.491  -1.033   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.776  -0.620   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.776   0.205   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.491   0.617   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.062  -1.033   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.653  -0.620   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.653   0.205   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.062   0.617   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.062   1.442   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.920   0.617   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.367   0.617   0.000  1.00  0.00           C  
HETATM   14  S   UNL     1       1.367  -1.033   0.000  1.00  0.00           S  
HETATM   15  O   UNL     1      -3.006   1.438   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.813   1.609   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.225   0.895   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.673   0.282   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.082   0.205   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.796   0.617   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.511   0.205   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.225   0.617   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       4.225   1.442   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       3.511   1.855   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.796   1.442   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.920  -1.033   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.920  -1.855   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2   26    1    3                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   14                                            
CONECT    9    8   10   13                                            
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    1   15   18                                            
CONECT   13    9   19                                                 
CONECT   14    8                                                      
CONECT   15   12   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   12                                                 
CONECT   19   13   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   27    2                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0LH9E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.266   1.266   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.500   0.475   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.819   0.008   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.165   0.511   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.441   1.288   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1      -1.768   1.921   0.000  1.00  0.00           O  
HETATM    7  O   UNL     1      -0.797  -0.816   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.277   0.200   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.626   0.277   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.840  -0.520   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.256  -1.103   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.470  -1.900   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.267  -2.114   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.850  -1.530   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.637  -0.733   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.220  -0.150   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.017  -0.363   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.230  -1.160   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.027  -1.374   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.611  -0.790   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.397   0.006   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.600   0.220   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.905   0.735   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.682   0.459   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.832  -0.352   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.204  -0.888   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.427  -0.612   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.441   2.114   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.274   1.701   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -4.611  -0.629   0.000  1.00  0.00           N1+
HETATM   31  C   UNL     1      -3.785  -0.629   0.000  1.00  0.00           C1-
HETATM   32  C   UNL     1      -3.356  -1.694   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1      -4.181  -1.694   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -3.356  -0.872   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -2.531  -1.694   0.000  1.00  0.00           F  
CONECT    1    2    5    6                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    1   28   29                                       
CONECT    6    1                                                      
CONECT    7    3                                                      
CONECT    8    2   23   27                                            
CONECT    9    4   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10   16                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23    8   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27   32                                            
CONECT   27   26    8                                                 
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30   25   31                                                 
CONECT   31   30                                                      
CONECT   32   26   33   34   35                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0LI2E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.334  -0.306   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.334  -1.131   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.620  -1.543   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.905  -1.131   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.905  -0.306   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.620   0.107   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.191   0.107   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.563  -0.229   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.115   0.384   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.702   1.099   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.105   0.927   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.940   0.384   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.352   1.099   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.352  -0.330   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.177  -0.330   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.590   0.384   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.177   1.099   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.590  -1.045   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.071   1.837   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.702   2.585   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.105   2.781   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.757   2.276   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.757   1.451   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.761   1.682   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.472   2.689   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.620  -2.368   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.905  -2.781   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.191  -2.368   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.049  -1.543   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1      -3.460  -0.831   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -3.761  -1.954   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -2.638  -2.255   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2   29    1    3                                            
CONECT    3    2    4   26                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11   19                                            
CONECT   11   10    7   23                                            
CONECT   12    9   13   14                                            
CONECT   13   12   17                                                 
CONECT   14   12   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   13   24                                            
CONECT   18   15                                                      
CONECT   19   10   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   11                                                 
CONECT   24   17                                                      
CONECT   25   22                                                      
CONECT   26    3   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27                                                      
CONECT   29   30   31   32    2                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0LI2I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.551  -0.206   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.551  -1.031   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.837  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.122  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.122  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.837   0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.164  -1.583   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.829  -2.337   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.008  -2.251   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -1.837   1.031   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.122   1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.408  -1.444   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.408  -2.269   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1       0.306  -1.031   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.021  -1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.408   1.031   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.306   1.444   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.306   2.269   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.408   2.681   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.122   2.269   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.021  -2.269   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.736  -2.681   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.450  -2.269   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.450  -1.444   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       1.736  -1.031   0.000  1.00  0.00           N  
HETATM   26  F   UNL     1       3.164  -2.681   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5   12                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   10                                            
CONECT    7    2    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    3                                                 
CONECT   10    6   11                                                 
CONECT   11   10   16   20                                            
CONECT   12    4   13   14                                            
CONECT   13   12                                                      
CONECT   14   12   15                                                 
CONECT   15   14   21   25                                            
CONECT   16   11   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   11                                                 
CONECT   21   15   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   15                                                 
CONECT   26   23                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0LI6Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -0.996   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -1.821   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.786  -2.234   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.072  -1.821   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072  -0.996   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.786  -0.584   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.357  -2.234   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.357  -1.821   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.357  -0.996   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.357  -0.584   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.215  -2.234   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.958   0.223   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.778   0.309   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -3.114  -0.444   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.406   0.836   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.599   0.665   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.047   1.278   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.302   2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.109   2.234   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.661   1.621   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1      -2.468   1.792   0.000  1.00  0.00          Cl  
HETATM   22  C   UNL     1       1.072  -0.584   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       1.786  -0.996   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.786  -1.821   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.501  -2.234   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       3.215  -1.821   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       3.215  -0.996   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.501  -0.584   0.000  1.00  0.00           C  
CONECT    1    2    6   14                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   12                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   22                                            
CONECT   10    9    5                                                 
CONECT   11    2                                                      
CONECT   12    6   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    1                                                 
CONECT   15   12   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
CONECT   22    9   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0LK3O
  -OEChem-09301911202D

 74 78  0     1  0  0  0  0  0999 V2000
    8.0622   -1.8840    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8840    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.8840    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301   -6.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.3840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.6160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.6160    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981    4.1160    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3301    5.1160    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981    5.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.1160    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4641    3.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    6.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    6.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301   -4.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8301   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -6.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    5.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.8060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    5.6986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    5.0084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.4960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    3.1411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    3.1411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841    6.6160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    7.2360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441    6.6160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.9960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.7360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8162    6.6160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    7.2360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5762    6.6160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4378   -4.2734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7475   -4.6719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3051   -6.1485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3051   -5.3515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3552   -5.3515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3552   -6.1485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2225   -7.2266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9127   -6.8281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -4.6940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -3.6940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.6940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 36  1  0  0  0  0
  2 37  1  0  0  0  0
  3 40  1  0  0  0  0
 14  4  1  1  0  0  0
  4 22  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6 23  1  0  0  0  0
  6 70  1  0  0  0  0
  7 31  2  0  0  0  0
 16  8  1  6  0  0  0
  8 53  1  0  0  0  0
  8 54  1  0  0  0  0
  9 20  1  0  0  0  0
  9 31  1  0  0  0  0
  9 61  1  0  0  0  0
 10 24  2  0  0  0  0
 10 25  1  0  0  0  0
 11 35  2  0  0  0  0
 11 38  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 19  1  6  0  0  0
 12 42  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 43  1  1  0  0  0
 14 16  1  0  0  0  0
 14 44  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 17  1  0  0  0  0
 16 47  1  0  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 50  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 21 55  1  0  0  0  0
 22 56  1  0  0  0  0
 22 57  1  0  0  0  0
 22 58  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  1  0  0  0  0
 23 28  1  0  0  0  0
 24 59  1  0  0  0  0
 25 60  1  0  0  0  0
 26 29  1  0  0  0  0
 26 62  1  0  0  0  0
 26 63  1  0  0  0  0
 27 30  1  0  0  0  0
 27 64  1  0  0  0  0
 27 65  1  0  0  0  0
 28 32  2  0  0  0  0
 28 33  1  0  0  0  0
 29 66  1  0  0  0  0
 29 67  1  0  0  0  0
 30 68  1  0  0  0  0
 30 69  1  0  0  0  0
 31 35  1  0  0  0  0
 32 37  1  0  0  0  0
 32 71  1  0  0  0  0
 33 36  2  0  0  0  0
 33 72  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  2  0  0  0  0
 34 38  1  0  0  0  0
 35 39  1  0  0  0  0
 38 40  2  0  0  0  0
 39 41  2  0  0  0  0
 39 73  1  0  0  0  0
 40 41  1  0  0  0  0
 41 74  1  0  0  0  0
M  END

$$$$
D0LK4L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.101   0.573   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.101  -0.252   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.387  -0.665   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.672  -0.252   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.672   0.573   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.387   0.985   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -4.816  -0.665   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -5.530  -0.252   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.816  -1.490   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.530   0.573   0.000  1.00  0.00           C  
HETATM   11 CL   UNL     1      -6.245   0.985   0.000  1.00  0.00          Cl  
HETATM   12  C   UNL     1      -5.530  -1.902   0.000  1.00  0.00           C  
HETATM   13 CL   UNL     1      -5.530  -2.727   0.000  1.00  0.00          Cl  
HETATM   14  C   UNL     1      -1.958   0.985   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.243   0.573   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.243  -0.252   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1      -0.529   0.985   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.186   0.573   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.272  -0.248   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.079  -0.419   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.491   0.295   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1       0.939   0.908   0.000  1.00  0.00           S  
HETATM   23  S   UNL     1       2.316   0.295   0.000  1.00  0.00           S  
HETATM   24  C   UNL     1       2.729   1.010   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.554   1.010   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       4.039   0.342   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       4.823   0.597   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.823   1.422   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       4.039   1.677   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       5.491   1.907   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.405   2.727   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       6.245   1.571   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       6.205   2.319   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   14                                            
CONECT    6    5    1                                                 
CONECT    7    2    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7   12                                                 
CONECT   10    8   11                                                 
CONECT   11   10                                                      
CONECT   12    9   13                                                 
CONECT   13   12                                                      
CONECT   14    5   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   18                                                 
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28   25                                                 
CONECT   30   28   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0LK6V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.445   0.498   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.445  -0.327   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.731  -0.740   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.016  -0.327   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.016   0.498   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.731   0.910   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.160   0.910   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.874   0.498   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.874  -0.327   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.160  -0.740   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.302   0.910   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.412   0.498   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -4.699  -0.327   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.088  -1.124   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.412  -0.327   0.000  1.00  0.00           C  
HETATM   16  S   UNL     1       1.127   0.910   0.000  1.00  0.00           S  
HETATM   17  C   UNL     1       1.841   0.498   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       0.544   1.494   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       1.710   1.494   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       1.841  -0.327   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.556  -0.740   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.270  -0.327   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.270   0.498   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.556   0.910   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       3.985   0.910   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       4.699   0.498   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       3.985  -0.740   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       4.699  -0.327   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.171  -0.910   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.412  -1.494   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.996  -0.910   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   13   14                                       
CONECT   10    9    2                                                 
CONECT   11    5   12                                                 
CONECT   12   11   15   16                                            
CONECT   13    9                                                      
CONECT   14    9                                                      
CONECT   15   12   29   31                                            
CONECT   16   12   17   18   19                                       
CONECT   17   16   20   24                                            
CONECT   18   16                                                      
CONECT   19   16                                                      
CONECT   20   17   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24   25                                            
CONECT   24   23   17                                                 
CONECT   25   23   26                                                 
CONECT   26   25                                                      
CONECT   27   22   28                                                 
CONECT   28   27                                                      
CONECT   29   15   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   15                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0LK8E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.236  -0.199   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.478   0.214   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.192  -0.199   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.907   0.214   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.621  -0.199   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       3.336   0.214   0.000  1.00  0.00           N  
HETATM    7  O   UNL     1       1.907   1.039   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       4.090  -0.122   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       4.642   0.491   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       4.229   1.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.422   1.034   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       4.484   1.990   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.932   2.603   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.125   2.432   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.870   1.647   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.345  -0.906   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       5.152  -1.078   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       3.932  -1.621   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       4.484  -2.234   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       5.238  -1.898   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.951   0.214   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.665  -0.199   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.665  -1.024   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.951  -1.436   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.236  -1.024   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.380  -1.436   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.094  -1.024   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.809  -1.436   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.809  -2.261   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.094  -2.674   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.380  -2.261   0.000  1.00  0.00           C  
HETATM   32  S   UNL     1      -4.523  -2.674   0.000  1.00  0.00           S  
HETATM   33  O   UNL     1      -4.111  -3.388   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1      -5.238  -3.086   0.000  1.00  0.00           O  
HETATM   35  O   UNL     1      -4.936  -1.959   0.000  1.00  0.00           O  
HETATM   36  F   UNL     1       4.187   3.388   0.000  1.00  0.00           F  
CONECT    1    2   21   25                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    8   11                                            
CONECT    7    4                                                      
CONECT    8    6    9   16                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10    6   15                                            
CONECT   12   10   13                                                 
CONECT   13   12   14   36                                            
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16    8   17   18                                            
CONECT   17   16   20                                                 
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   17                                                 
CONECT   21    1   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24    1                                                 
CONECT   26   23   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   29   33   34   35                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
CONECT   36   13                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END

$$$$

$$$$

$$$$
D0LL0X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.706   1.650   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.706   0.825   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.009   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.723   0.825   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.723   1.650   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.009   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.438   2.062   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.152   1.650   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1       1.438   2.888   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1       2.238   0.830   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       3.045   0.658   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.458   1.372   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.906   1.986   0.000  1.00  0.00           C  
HETATM   14  F   UNL     1       4.278   1.459   0.000  1.00  0.00           F  
HETATM   15  H   UNL     1       3.381  -0.096   0.000  1.00  0.00           H  
HETATM   16  C   UNL     1      -1.420   0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.135   0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.420  -0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.135   1.650   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.849   2.062   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.564   1.650   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.564   0.825   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.849   0.412   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.135  -0.825   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.135  -1.650   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.420  -2.062   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.706  -1.650   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.706  -0.825   0.000  1.00  0.00           C  
HETATM   29 CL   UNL     1      -4.278   2.062   0.000  1.00  0.00          Cl  
HETATM   30 CL   UNL     1      -1.420  -2.888   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3   16                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10   13                                            
CONECT    9    7                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13   14                                            
CONECT   13   12    8                                                 
CONECT   14   12                                                      
CONECT   15   11                                                      
CONECT   16    2   17   18                                            
CONECT   17   16   19   23                                            
CONECT   18   16   24   28                                            
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   29                                            
CONECT   22   21   23                                                 
CONECT   23   22   17                                                 
CONECT   24   18   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   18                                                 
CONECT   29   21                                                      
CONECT   30   26                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0LL1P
  -OEChem-09301911182D

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   11.5263   -2.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    3.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1962    3.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0263   -3.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0263   -1.3840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8626    2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7908   -1.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9483   -2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5683   -1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2  7  2  0  0  0  0
  2  8  2  0  0  0  0
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 15 42  1  0  0  0  0
 16 17  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 21  1  0  0  0  0
 19 24  1  0  0  0  0
 20 23  2  0  0  0  0
 20 48  1  0  0  0  0
 21 22  2  0  0  0  0
 21 49  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 50  1  0  0  0  0
 25 26  2  0  0  0  0
 25 28  1  0  0  0  0
 25 30  1  0  0  0  0
 26 31  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 34  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
 30 32  2  0  0  0  0
 30 57  1  0  0  0  0
 31 33  2  0  0  0  0
 31 56  1  0  0  0  0
 32 33  1  0  0  0  0
 33 58  1  0  0  0  0
 34 59  1  0  0  0  0
 34 60  1  0  0  0  0
 34 61  1  0  0  0  0
M  END

$$$$
D0LL7V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.725   1.134   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.725   0.309   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.010  -0.104   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.296   0.309   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.296   1.134   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.010   1.546   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.419  -0.104   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.133   0.309   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.133   1.134   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.419   1.546   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.419   2.371   0.000  1.00  0.00           N  
HETATM   12  S   UNL     1      -0.296   2.784   0.000  1.00  0.00           S  
HETATM   13  O   UNL     1       0.117   3.498   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1      -0.708   2.069   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.010   3.196   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.010   4.021   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.725   4.434   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.439   4.021   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.439   3.196   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.725   2.784   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.154   4.434   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.296   4.434   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.725   1.959   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.133   2.784   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.848   2.371   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       0.419  -0.929   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.296  -1.341   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.010  -0.929   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.725  -1.341   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.725  -2.166   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.439  -0.929   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -0.296  -2.166   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.010  -2.579   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.010  -3.404   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.296  -3.816   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       0.419  -3.404   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       0.419  -2.579   0.000  1.00  0.00           C  
HETATM   38  N   UNL     1       1.934   1.551   0.000  1.00  0.00           N  
HETATM   39  N   UNL     1       2.741   1.379   0.000  1.00  0.00           N  
HETATM   40  N   UNL     1       3.154   2.094   0.000  1.00  0.00           N  
HETATM   41  N   UNL     1       2.602   2.707   0.000  1.00  0.00           N  
HETATM   42  O   UNL     1       0.060  -4.021   0.000  1.00  0.00           O  
HETATM   43  C   UNL     1       0.775  -4.434   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   26                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   12   24                                            
CONECT   12   11   13   14   15                                       
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15   12   16   20                                            
CONECT   16   15   17   22                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15   23                                            
CONECT   21   18                                                      
CONECT   22   16                                                      
CONECT   23   20                                                      
CONECT   24   11   25                                                 
CONECT   25   24   38   41                                            
CONECT   26    7   27                                                 
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   27   33   37                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36   42                                            
CONECT   36   35   37                                                 
CONECT   37   36   32                                                 
CONECT   38   25   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41                                                 
CONECT   41   40   25                                                 
CONECT   42   35   43                                                 
CONECT   43   42                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
M  END

$$$$
D0LM5V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.877   1.046   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.066   1.183   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.779   1.954   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.303   2.587   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.114   2.450   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.401   1.680   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.542   0.550   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.747  -0.246   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1      -1.052  -0.687   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1      -0.419  -0.163   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.722   0.601   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1       0.352  -0.450   0.000  1.00  0.00           N  
HETATM   13  S   UNL     1       0.985   0.074   0.000  1.00  0.00           S  
HETATM   14  C   UNL     1       1.804  -0.003   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.146  -0.751   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.964  -0.828   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.441  -0.158   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.098   0.590   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.280   0.667   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       4.259  -0.235   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       4.735   0.435   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       3.306  -1.576   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       2.830  -2.246   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       0.643   0.822   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1       1.327  -0.673   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.543  -0.460   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.757  -1.257   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.519  -1.573   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.454  -2.396   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.651  -2.587   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.221  -1.884   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1      -4.211   1.543   0.000  1.00  0.00           N1+
HETATM   33  O   UNL     1      -4.735   2.176   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1      -4.498   0.772   0.000  1.00  0.00           O1-
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6   32    5    1                                            
CONECT    7    2    8   11                                            
CONECT    8    7    9   26                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10    7                                                 
CONECT   12   10   13                                                 
CONECT   13   12   14   24   25                                       
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   22                                            
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21                                                 
CONECT   21   20                                                      
CONECT   22   16   23                                                 
CONECT   23   22                                                      
CONECT   24   13                                                      
CONECT   25   13                                                      
CONECT   26    8   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   27                                                 
CONECT   32   33   34    6                                            
CONECT   33   32                                                      
CONECT   34   32                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0LM6D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.094  -0.592   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.094  -1.417   0.000  1.00  0.00           N  
HETATM    3  N   UNL     1      -0.309  -1.671   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.176  -1.004   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1      -0.309  -0.337   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1      -1.761  -0.107   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.998  -1.004   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.409  -1.716   0.000  1.00  0.00           N  
HETATM    9  S   UNL     1       2.228  -1.716   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1       2.638  -2.425   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.638  -1.006   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       1.819  -2.425   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.675   0.714   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.342   1.199   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.096   0.863   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.182   0.043   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.515  -0.442   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.601  -1.263   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.352  -1.597   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.409  -0.292   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.999   0.417   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.409   1.127   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       2.228   1.127   0.000  1.00  0.00           O  
HETATM   24  N   UNL     1       0.999   1.837   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       0.183   1.837   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.225   2.543   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.042   2.543   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.450   3.251   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.638  -3.251   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.352  -2.838   0.000  1.00  0.00           C  
CONECT    1    2    5    6                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    1                                                 
CONECT    6    1   13   17                                            
CONECT    7    4    8   20                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11   12                                       
CONECT   10    9   29   30                                            
CONECT   11    9                                                      
CONECT   12    9                                                      
CONECT   13    6   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16    6   18                                            
CONECT   18   17   19                                                 
CONECT   19   18                                                      
CONECT   20    7   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27                                                      
CONECT   29   10   30                                                 
CONECT   30   29   10                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0LN1T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.539  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.176   0.206   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.890  -0.206   0.000  1.00  0.00           N  
HETATM    4  O   UNL     1       0.176   1.031   0.000  1.00  0.00           O  
HETATM    5  C   UNL     1       1.605   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.319  -0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.034   0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.787  -0.129   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       4.339   0.484   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       3.927   1.198   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1       3.120   1.027   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       5.160   0.398   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       5.645   1.065   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1       5.495  -0.356   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       6.292  -0.570   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.292   0.129   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.845  -0.484   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.432  -1.198   0.000  1.00  0.00           O  
HETATM   19  N   UNL     1      -0.625  -1.027   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.665  -0.398   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.001   0.356   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.821   0.442   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.306  -0.225   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.970  -0.979   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.150  -1.065   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.126  -0.139   0.000  1.00  0.00           N  
HETATM   27  B   UNL     1      -5.578   1.156   0.000  1.00  0.00           B  
HETATM   28  O   UNL     1      -6.292   0.743   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.863   0.743   0.000  1.00  0.00           C  
CONECT    1    2   16   19                                            
CONECT    2    1    3    4                                            
CONECT    3    2    5                                                 
CONECT    4    2                                                      
CONECT    5    3    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11                                                 
CONECT   11   10    7                                                 
CONECT   12    9   13   14                                            
CONECT   13   12                                                      
CONECT   14   12   15                                                 
CONECT   15   14                                                      
CONECT   16    1   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18    1                                                 
CONECT   20   17   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23   29                                                 
CONECT   27   28   29                                                 
CONECT   28   27                                                      
CONECT   29   26   27                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0LN9D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  O   UNL     1      -4.322   0.889   0.000  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.322   0.064   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.607  -0.349   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.893   0.064   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.893   0.889   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.607   1.301   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.178  -0.349   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.464   0.064   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.749  -0.349   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.035   0.064   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.680  -0.349   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.394   0.064   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.464   0.889   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.162  -1.063   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.337  -1.063   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.035   0.889   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       2.148  -0.272   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.700   0.341   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.287   1.056   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       1.480   0.884   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       3.497   0.128   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.211   0.540   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.497   0.953   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.909  -0.587   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       4.322  -1.301   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10   14   15                                       
CONECT   10    9   11   16                                            
CONECT   11   10   12                                                 
CONECT   12   11   17   20                                            
CONECT   13    8                                                      
CONECT   14    9                                                      
CONECT   15    9                                                      
CONECT   16   10                                                      
CONECT   17   12   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   12                                                 
CONECT   21   18   22   23   24                                       
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24   21   25                                                 
CONECT   25   24                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0LO0I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.981   2.366   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.981   1.541   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.266   1.129   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.552   1.541   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.552   2.366   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.266   2.779   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.837   1.129   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.123   1.541   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.409   1.129   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.409   0.303   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1      -0.694   1.541   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.020   1.129   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.020   0.303   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.735   1.541   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.735   2.366   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       1.449   1.129   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       2.164   1.541   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.878   1.129   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       2.965   0.308   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       3.772   0.137   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       4.184   0.851   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.632   1.464   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.392  -0.411   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.213  -0.497   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.384  -1.304   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.670  -1.717   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.057  -1.165   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.498  -2.524   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.286  -2.779   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.900  -2.227   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.728  -1.419   0.000  1.00  0.00           C  
HETATM   32 BR   UNL     1       4.981   1.065   0.000  1.00  0.00          Br  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   23                                                 
CONECT   14   12   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   32                                            
CONECT   22   21   18                                                 
CONECT   23   13   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   23   31                                            
CONECT   28   26   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   27                                                 
CONECT   32   21                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0LO1Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.031  -4.644   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.206  -4.644   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.206  -3.930   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.206  -3.215   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.031  -3.215   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.444  -3.930   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.444  -2.501   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.031  -1.786   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.444  -1.072   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.031  -0.357   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.444   0.357   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.031   1.072   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.206   1.072   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.206   0.357   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.031   0.357   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.444   1.072   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.031   1.786   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.444   2.501   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.031   3.215   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.444   3.930   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.031   4.644   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.206  -2.501   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.031  -2.501   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       1.031  -3.930   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.206  -1.786   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   24                                            
CONECT    4    3    5   22                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20                                                      
CONECT   22    4   23   25                                            
CONECT   23   22                                                      
CONECT   24    3                                                      
CONECT   25   22                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0LO2C
  -OEChem-09301911292D

 46 48  0     0  0  0  0  0  0999 V2000
    6.3359   -1.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660    1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5981    1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.8075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0622    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1961   -0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320   -0.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4641    0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1060   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1060    0.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000   -0.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000    0.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5981    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4679   -0.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6038   -1.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3301    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359   -0.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961    0.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1961    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1132   -1.8096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1132    1.4996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6642    0.6779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2460   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660   -2.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4860   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4641   -0.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3291    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6062   -1.8058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9998    0.6296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7286    1.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9316    1.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2002   -1.0012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5937    1.4342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6879    0.8399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.0079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3121   -0.2316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5991    0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 20  1  0  0  0  0
  2 12  1  0  0  0  0
  2 36  1  0  0  0  0
  3 19  2  0  0  0  0
  4 26  1  0  0  0  0
  4 28  1  0  0  0  0
  5 27  1  0  0  0  0
  5 46  1  0  0  0  0
  6 27  2  0  0  0  0
  7 11  1  0  0  0  0
  7 15  2  0  0  0  0
  8 19  1  0  0  0  0
  8 23  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 18  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 29  1  0  0  0  0
 14 17  2  0  0  0  0
 14 30  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 24  1  0  0  0  0
 21 37  1  0  0  0  0
 22 25  2  0  0  0  0
 22 38  1  0  0  0  0
 23 27  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 26  2  0  0  0  0
 24 41  1  0  0  0  0
 25 26  1  0  0  0  0
 25 42  1  0  0  0  0
 28 43  1  0  0  0  0
 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
M  END

$$$$
D0LO7X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.159  -1.856   0.000  1.00  0.00           C  
HETATM    2  S   UNL     1       0.159  -2.681   0.000  1.00  0.00           S  
HETATM    3  C   UNL     1       0.943  -2.936   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.428  -2.268   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.943  -1.601   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       2.253  -2.268   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.509  -1.371   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.263  -1.706   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.198  -0.816   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.646  -0.203   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.901   0.582   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.930  -1.221   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.684  -1.557   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.770  -2.377   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.102  -2.862   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.349  -2.527   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.708   0.753   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.963   1.538   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.411   2.151   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.604   1.979   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.349   1.195   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       1.666   2.936   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       2.770   1.709   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       2.260   0.140   0.000  1.00  0.00           O  
CONECT    1    2    5    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    1    9                                            
CONECT    6    4                                                      
CONECT    7    1    8                                                 
CONECT    8    7   12   16                                            
CONECT    9    5   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   17   21                                            
CONECT   12    8   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15    8                                                 
CONECT   17   11   18   24                                            
CONECT   18   17   19   23                                            
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   11                                                 
CONECT   22   19                                                      
CONECT   23   18                                                      
CONECT   24   17                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0LP1K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.072  -0.151   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.357  -1.389   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.357  -0.976   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.072  -1.389   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.786  -0.976   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.786  -0.151   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.072   0.262   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.357  -0.151   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.501   0.262   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       2.501   1.087   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1       3.215  -0.151   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1       3.930   0.262   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.357   0.262   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.357   1.087   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.072   1.499   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.786   1.087   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.786   0.262   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.072  -0.976   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.786  -1.389   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.786  -2.213   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1      -2.501  -0.976   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.501  -0.151   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.215   0.262   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.930  -0.151   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.930  -0.976   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.215  -1.389   0.000  1.00  0.00           C  
HETATM   27  H   UNL     1       1.072  -2.213   0.000  1.00  0.00           H  
HETATM   28  C   UNL     1       0.355   1.499   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1      -0.057   2.213   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1       1.070   1.911   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1       0.768   0.784   0.000  1.00  0.00           F  
CONECT    1   13   17   18                                            
CONECT    2    3   18                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5   27                                            
CONECT    5    4    6                                                 
CONECT    6    5    7    9                                            
CONECT    7    6    8                                                 
CONECT    8    7    3                                                 
CONECT    9    6   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   12                                                 
CONECT   12   11                                                      
CONECT   13    1   14                                                 
CONECT   14   13   15   28                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16    1                                                 
CONECT   18    2    1   19                                            
CONECT   19   18   20   21                                            
CONECT   20   19                                                      
CONECT   21   19   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27    4                                                      
CONECT   28   14   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0LP3P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.203   0.711   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.414  -0.087   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.829  -0.668   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.033  -0.453   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.821   0.345   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.406   0.926   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.087   0.721   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.219   1.536   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.034   1.663   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1      -1.637   2.121   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.351   0.349   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.638   0.763   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.078   0.352   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.791   0.767   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       1.507   0.356   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.510  -0.469   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.226  -0.878   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.939  -0.469   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.939   0.356   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.226   0.766   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.653  -0.882   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.652  -1.707   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.365  -2.121   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       5.081  -1.707   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.081  -0.882   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.365  -0.469   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.210  -0.302   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -5.795   0.280   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -5.422  -1.100   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1       5.795  -2.119   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   27                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1    9                                            
CONECT    7    5    8   11                                            
CONECT    8    7    9   10                                            
CONECT    9    8    6                                                 
CONECT   10    8                                                      
CONECT   11    7   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   30                                            
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27    2   28   29                                            
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   24                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0LR2Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.794  -0.356   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.794  -1.181   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.080  -1.594   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.365  -1.181   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.365  -0.356   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.080   0.056   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.651   0.056   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.651   0.881   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.936   1.294   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.365   1.294   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1      -0.183   0.958   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.369   1.571   0.000  1.00  0.00           C  
HETATM   13  S   UNL     1      -0.043   2.286   0.000  1.00  0.00           S  
HETATM   14  C   UNL     1      -0.850   2.114   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.190   1.485   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       1.675   2.152   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1       1.403   0.688   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       2.200   0.475   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.414  -0.322   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.211  -0.536   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.794   0.048   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.581   0.845   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.784   1.058   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       1.831  -0.906   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       1.034  -0.692   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.450  -1.275   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       0.664  -2.072   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       1.461  -2.286   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.044  -1.702   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8   11   14                                            
CONECT   10    8                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16   17                                            
CONECT   16   15                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   19   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0LR5O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.250   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.250  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.536  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.179  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.179   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.536   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.893  -1.031   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.608  -0.619   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.608   0.206   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.893   0.619   0.000  1.00  0.00           C  
HETATM   11 CL   UNL     1      -0.536   1.444   0.000  1.00  0.00          Cl  
HETATM   12  O   UNL     1       0.893   1.444   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       2.322   0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.037   0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.037  -0.619   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.751  -1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.466  -0.619   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       4.466   0.206   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       3.751   0.619   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       3.751   1.444   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       5.180  -1.031   0.000  1.00  0.00           C  
HETATM   22 CL   UNL     1      -0.536  -1.856   0.000  1.00  0.00          Cl  
HETATM   23  C   UNL     1      -1.965   0.619   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.965   1.444   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.679   0.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.679   1.856   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.394   0.619   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.108   0.206   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -4.108  -0.619   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -3.394  -1.031   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.679  -0.619   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.822  -1.031   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1      -4.822  -1.856   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1       2.530  -0.789   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       3.114  -1.372   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.180  -0.412   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1      -4.466  -0.825   0.000  1.00  0.00           O  
CONECT    1    2    6   23                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   22                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9    5   12                                            
CONECT   11    6                                                      
CONECT   12   10                                                      
CONECT   13    9   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16   34                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   14   20                                            
CONECT   20   19                                                      
CONECT   21   17                                                      
CONECT   22    3                                                      
CONECT   23    1   24   25                                            
CONECT   24   23   26                                                 
CONECT   25   23   27   31                                            
CONECT   26   24                                                      
CONECT   27   25   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   25                                                 
CONECT   32   29   33   36                                            
CONECT   33   32                                                      
CONECT   34   15   35                                                 
CONECT   35   34                                                      
CONECT   36   32   37                                                 
CONECT   37   36                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0LR6D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.340   0.672   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.340  -0.153   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.625  -0.566   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.911  -0.153   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.911   0.672   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.625   1.084   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.196   1.084   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.371   1.084   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.784   1.799   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.657   0.672   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.058   1.084   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.772   0.672   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.772  -0.153   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.487  -0.566   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       2.201  -0.153   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       2.201   0.672   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.487   1.084   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.916  -0.566   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.916  -1.388   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.628  -1.799   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.340  -1.388   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.340  -0.566   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.628  -0.155   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    8    9    5                                            
CONECT    8    7    9   10                                            
CONECT    9    8    7                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   18   14   16                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   19   23   15                                            
CONECT   19   20   18                                                 
CONECT   20   21   19                                                 
CONECT   21   22   20                                                 
CONECT   22   23   21                                                 
CONECT   23   22   18                                                 
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0LR6J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.280  -0.781   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.565  -0.369   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.149  -0.781   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.864  -0.369   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.864   0.456   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.149   0.869   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.565   0.456   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.578  -0.781   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.292  -0.369   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.046  -0.704   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       3.598  -0.091   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1       3.186   0.623   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.379   0.452   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.419  -0.178   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.994  -0.369   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.709  -0.781   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.463  -0.446   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -4.015  -1.059   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.602  -1.773   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.795  -1.602   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.634   0.361   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.021   0.913   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.192   1.720   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.364   2.527   0.000  1.00  0.00           N  
HETATM   25  F   UNL     1      -3.938  -2.527   0.000  1.00  0.00           F  
HETATM   26  O   UNL     1      -4.419   0.616   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.280   0.869   0.000  1.00  0.00           C  
CONECT    1    2   15                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    2   27                                            
CONECT    8    4    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    9                                                 
CONECT   14   11                                                      
CONECT   15    1   16                                                 
CONECT   16   17   20   15                                            
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   25                                            
CONECT   20   19   16                                                 
CONECT   21   17   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23                                                      
CONECT   25   19                                                      
CONECT   26   21                                                      
CONECT   27    7                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0LR7Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.644  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.644  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.930  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.215  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.215  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.930   0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.501   0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.786  -0.206   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.072   0.206   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.357  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.357  -1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.357  -1.444   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.072  -1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.072  -0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.357   0.206   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.786  -1.031   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1       1.786  -1.444   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.786   0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.501  -0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.215   0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.215   1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.501   1.444   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.786   1.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.930  -0.206   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       4.644   0.206   0.000  1.00  0.00           N  
HETATM   26  O   UNL     1       3.930  -1.031   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   16                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15   18                                            
CONECT   15   14   10                                                 
CONECT   16    8                                                      
CONECT   17   13                                                      
CONECT   18   14   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   20   25   26                                            
CONECT   25   24                                                      
CONECT   26   24                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0LS1O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.601   0.513   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.014  -0.201   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.811  -0.415   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.597  -1.212   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.800  -0.998   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.776   0.513   0.000  1.00  0.00           N  
HETATM    7  O   UNL     1      -3.014   1.228   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.364  -0.201   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.539  -0.201   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.126  -0.916   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.462  -1.669   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.151  -2.222   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.866  -1.809   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.694  -1.002   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.151  -3.047   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.866  -3.459   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.580  -3.047   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.580  -2.222   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.365  -3.301   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.850  -2.634   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.365  -1.967   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.246  -0.389   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.053  -0.560   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.605   0.053   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.350   0.837   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.543   1.009   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.991   0.396   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       2.902   1.450   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       2.648   2.235   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.200   2.848   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       3.811   2.298   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       3.750   3.459   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       2.589   3.398   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3    5                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    2                                                 
CONECT    6    1    8                                                 
CONECT    7    1                                                      
CONECT    8    6    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14   18                                            
CONECT   14   13   10   22                                            
CONECT   15   12   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   13   21                                            
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   18                                                 
CONECT   22   23   27   14                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   25   29                                                 
CONECT   29   30   28                                                 
CONECT   30   31   32   33   29                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0LS4Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.215  -1.238   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.357   0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.357   0.000   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.357   1.238   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.357  -0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.072  -1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.786  -0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.786   0.000   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.072   0.412   0.000  1.00  0.00           C  
HETATM   16  S   UNL     1       2.501   0.412   0.000  1.00  0.00           S  
HETATM   17  O   UNL     1       2.088   1.127   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       2.913  -0.302   0.000  1.00  0.00           O  
HETATM   19  N   UNL     1       3.215   0.825   0.000  1.00  0.00           N  
HETATM   20 CL   UNL     1       2.501  -1.238   0.000  1.00  0.00          Cl  
HETATM   21 BR   UNL     1      -0.357  -1.238   0.000  1.00  0.00          Br  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   21                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9   10                                            
CONECT    9    8   11   15                                            
CONECT   10    8                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   20                                            
CONECT   14   13   15   16                                            
CONECT   15   14    9                                                 
CONECT   16   14   17   18   19                                       
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19   16                                                      
CONECT   20   13                                                      
CONECT   21    4                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0LT2N
  -OEChem-09301911132D

 52 54  0     1  0  0  0  0  0999 V2000
    6.3301   -1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4050    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    2.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    3.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    4.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    4.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    3.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    4.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    5.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    5.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    4.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    5.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    5.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    1.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    1.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.8681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760   -1.5581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560   -2.6319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2 26  1  0  0  0  0
  2 52  1  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 14  2  0  0  0  0
  4 18  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  2  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 45  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 12  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 15  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 16  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 17  2  0  0  0  0
 16 43  1  0  0  0  0
 17 19  1  0  0  0  0
 18 44  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 22 46  1  0  0  0  0
 23 26  2  0  0  0  0
 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
 25 26  1  0  0  0  0
 25 51  1  0  0  0  0
M  END

$$$$
D0LT5U
  -OEChem-09301911152D

 52 55  0     0  0  0  0  0  0999 V2000
    4.9368    4.8173    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6621    1.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8942   -4.7389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1621   -4.7389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1621   -1.7389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1621    0.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2961   -0.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0282   -0.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9712    0.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3531    0.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2961   -1.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0282   -1.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6621    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1621   -2.7389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3377    0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9772    2.5847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0282   -3.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6348    1.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9567    2.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0282   -4.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2904    3.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3115    2.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6452    3.6633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9579    4.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6663    3.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2916    5.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3127    5.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0841    0.3437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6855   -0.3465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6388   -0.3465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2402    0.3437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2812    0.3120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5376    1.1011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6855   -1.1312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0841   -1.8215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2402   -1.8215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6388   -1.1312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5516   -2.6312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9501   -3.3215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1530    0.0248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1756    3.1721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6388   -3.3465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2402   -2.6563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0288    1.2541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4843    3.7106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1176    2.3287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8942   -5.3589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4724    2.8702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4855    5.9478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3931    4.0783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8996    5.6171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2  9  1  0  0  0  0
  2 13  1  0  0  0  0
  3 20  1  0  0  0  0
  3 48  1  0  0  0  0
  4 20  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 12  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 13  2  0  0  0  0
 10 15  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 18  2  0  0  0  0
 15 41  1  0  0  0  0
 16 19  2  0  0  0  0
 16 42  1  0  0  0  0
 17 20  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 19  1  0  0  0  0
 18 45  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 46  1  0  0  0  0
 22 23  1  0  0  0  0
 22 47  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 49  1  0  0  0  0
 26 28  1  0  0  0  0
 26 50  1  0  0  0  0
 27 28  2  0  0  0  0
 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
M  END

$$$$
D0LT5Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.715   1.856   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.715   1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.000   0.619   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.715   1.031   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.715   1.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.000   2.269   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429   2.269   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.143   1.856   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.429   3.094   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.143   1.031   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.429   0.619   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.858   0.619   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       1.429   0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.429  -0.206   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       2.143   1.031   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       2.143  -0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.143  -1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.858  -1.856   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.858  -2.681   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.143  -3.094   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   12                                            
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13    4   14   15                                            
CONECT   14   13   16                                                 
CONECT   15   13                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0LT6Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.868  -1.321   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.868  -2.146   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.154  -2.559   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.439  -2.146   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.439  -1.321   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.154  -0.909   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.725  -0.909   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.010  -1.321   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.296  -0.909   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.296  -0.084   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.010   0.329   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.725  -0.084   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.419   0.329   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.133  -0.084   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.419   1.154   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.296   1.566   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.133   1.566   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.419   1.979   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.848   1.154   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       1.133   2.391   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.562   1.566   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.316   1.231   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.868   1.844   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.455   2.559   0.000  1.00  0.00           C  
HETATM   25  S   UNL     1       2.649   2.387   0.000  1.00  0.00           S  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   16   17   18                                       
CONECT   16   15                                                      
CONECT   17   15   19   20                                            
CONECT   18   15                                                      
CONECT   19   17   21                                                 
CONECT   20   17                                                      
CONECT   21   19   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0LU7K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.544  -0.185   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.544  -1.010   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.830  -1.423   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.115  -1.010   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.115  -0.185   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.830   0.227   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.259   0.227   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.259  -1.423   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.259   1.052   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.973   1.465   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.688   1.052   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.688   0.227   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.973  -0.185   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.973  -1.010   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.688  -1.423   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.688  -2.248   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.973  -2.660   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.259  -2.248   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -4.402   1.465   0.000  1.00  0.00          Cl  
HETATM   20 CL   UNL     1      -1.544  -2.660   0.000  1.00  0.00          Cl  
HETATM   21  C   UNL     1       0.498   0.367   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.162   1.121   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.658   1.034   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.305   0.195   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       1.857   0.808   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1       1.560  -0.589   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.357  -0.803   0.000  1.00  0.00           C  
HETATM   28  S   UNL     1       0.575   1.835   0.000  1.00  0.00           S  
HETATM   29  O   UNL     1      -0.140   2.248   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       0.575   2.660   0.000  1.00  0.00           O  
HETATM   31  N   UNL     1       1.400   1.835   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       1.983   2.418   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.673  -1.565   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.496  -1.499   0.000  1.00  0.00           C  
HETATM   35  S   UNL     1       3.688  -0.697   0.000  1.00  0.00           S  
HETATM   36  C   UNL     1       2.984  -0.266   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1       3.901   0.100   0.000  1.00  0.00           O  
HETATM   38  O   UNL     1       4.402  -1.109   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   21                                            
CONECT    6    5    1   23                                            
CONECT    7    9   13    1                                            
CONECT    8    2   14   18                                            
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   19                                            
CONECT   12   11   13                                                 
CONECT   13   12    7                                                 
CONECT   14    8   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17    8   20                                            
CONECT   19   11                                                      
CONECT   20   18                                                      
CONECT   21    5   22   24                                            
CONECT   22   21   23   28                                            
CONECT   23   22    6                                                 
CONECT   24   21   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27                                                 
CONECT   27   26   33   36                                            
CONECT   28   22   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28   32                                                 
CONECT   32   31                                                      
CONECT   33   27   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36   37   38                                       
CONECT   36   35   27                                                 
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0LU7U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287  -1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287  -2.062   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572  -2.475   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858  -2.062   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858  -1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.572  -0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.143  -0.825   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.429  -1.238   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.715  -0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.000  -1.238   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.715  -0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.715   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.000   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.715   0.000   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM   16  CA  UNL     1       1.429   1.238   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.143   1.650   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       2.858   1.238   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.572   1.650   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       4.287   1.238   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       0.715   1.650   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       0.000   1.238   0.000  1.00  0.00           O  
HETATM   23  OXT UNL     1       0.715   2.475   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       2.858   0.412   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1       3.572   2.475   0.000  1.00  0.00           O  
HETATM   26  F   UNL     1      -3.572   0.000   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   26                                            
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   24                                            
CONECT   19   18   20   25                                            
CONECT   20   19                                                      
CONECT   21   16   22   23                                            
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24   18                                                      
CONECT   25   19                                                      
CONECT   26    6                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0LU9X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.548  -0.716   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.723  -0.716   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.311  -0.001   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.723   0.713   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.548   0.713   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.961  -0.001   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.486  -0.001   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.000  -0.668   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.216  -0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.216   0.412   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.001   0.667   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.499  -0.825   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.213  -0.412   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.213   0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.499   0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.928  -0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.642  -0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.357  -0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.071  -0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.071   0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.357   0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.642   0.412   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.928  -1.650   0.000  1.00  0.00           O  
HETATM   24  F   UNL     1       3.357   1.650   0.000  1.00  0.00           F  
HETATM   25 CL   UNL     1       4.786  -0.825   0.000  1.00  0.00          Cl  
HETATM   26  F   UNL     1      -4.786  -0.001   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   26                                            
CONECT    7    3    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11   15                                            
CONECT   11   10    7                                                 
CONECT   12    9   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   23                                            
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   25                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   17                                                 
CONECT   23   16                                                      
CONECT   24   21                                                      
CONECT   25   19                                                      
CONECT   26    6                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0LV1G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.823   1.082   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.823   0.257   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.109  -0.155   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.394   0.257   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.394   1.082   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.109   1.495   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.538   1.495   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.680  -0.155   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.680  -0.980   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.035  -1.393   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.749  -0.980   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.749  -0.155   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.035   0.257   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.394  -1.495   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.198  -1.311   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.556  -0.568   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.198   0.175   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.394   0.359   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.565  -0.512   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.538   1.207   0.000  1.00  0.00           C  
HETATM   21  S   UNL     1       2.750   0.993   0.000  1.00  0.00           S  
HETATM   22  O   UNL     1       3.536   0.742   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       2.623   0.177   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    4    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13   18                                            
CONECT   13   12    8                                                 
CONECT   14   11   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   12   19                                            
CONECT   19   18   14                                                 
CONECT   20   21                                                      
CONECT   21   17   20   22   23                                       
CONECT   22   21                                                      
CONECT   23   21                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0LV6K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.562  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.562  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.848  -2.062   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.133  -1.650   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.133  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.848  -0.412   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.419  -0.412   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.419   0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.296  -0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.010  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.725  -0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.439  -0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.439   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.725   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.010   0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.154   0.825   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.154   1.650   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       3.868   0.412   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       4.582   0.825   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       0.296   0.825   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.296   1.650   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.419   2.062   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.133   1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.133   0.825   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.277  -0.412   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.363   0.408   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.170   0.580   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.582  -0.135   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1      -4.030  -0.748   0.000  1.00  0.00           N  
CONECT    1    2    6   25                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   20   24                                            
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18                                                      
CONECT   20    8   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23    8                                                 
CONECT   25    1   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   25                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0LW9K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  F   UNL     1       0.677  -2.007   0.000  1.00  0.00           F  
HETATM    2  C   UNL     1      -1.004  -0.607   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.576  -1.312   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.249  -1.294   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.646  -0.571   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       0.218   0.135   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.607   0.117   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.456   0.925   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.222   1.395   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.879   0.895   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.828  -0.625   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.235   1.196   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.860   0.658   0.000  1.00  0.00           N  
HETATM   14  O   UNL     1       1.389   2.007   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       2.198  -0.561   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.682  -0.110   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.252  -0.346   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.532  -1.141   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.100  -0.948   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.692  -0.239   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       2.971   0.234   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.317   0.040   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.100  -0.218   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.100  -1.044   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.317  -1.294   0.000  1.00  0.00           O  
CONECT    1    4                                                      
CONECT    2    3    7   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    1                                            
CONECT    5    4    6                                                 
CONECT    6    5    7    8                                            
CONECT    7    6    2   10                                            
CONECT    8    6    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9    7                                                 
CONECT   11    2   22   25                                            
CONECT   12    8   13   14                                            
CONECT   13   12   16   15                                            
CONECT   14   12                                                      
CONECT   15   18   19   13                                            
CONECT   16   13   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   15                                                 
CONECT   19   15   21                                                 
CONECT   20   16   21                                                 
CONECT   21   20   19                                                 
CONECT   22   11   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   11                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0LW9R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.564  -0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.564  -1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.849  -1.856   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.135  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.135  -0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.849  -0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.849   0.619   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.420  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.706  -0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.009  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.009   0.619   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.706   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.420   0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.723   1.031   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       1.438   0.619   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1       0.723   1.856   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.524  -0.202   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.331  -0.373   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.743   0.341   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.191   0.954   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       3.564   0.427   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       0.911  -0.754   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       0.086  -0.754   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       1.206  -1.524   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    5    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15   16                                            
CONECT   15   14   17   20                                            
CONECT   16   14                                                      
CONECT   17   15   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   15                                                 
CONECT   21   19                                                      
CONECT   22   17   23   24                                            
CONECT   23   22                                                      
CONECT   24   22                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0LX2Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.043   2.142   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.459   1.429   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.049   0.713   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.224   0.709   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.809   1.422   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.218   2.138   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.815  -0.007   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.990  -0.010   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.230  -0.720   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.055  -0.716   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.471  -1.429   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.061  -2.145   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.236  -2.149   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.821  -1.436   0.000  1.00  0.00           C  
HETATM   15 CL   UNL     1      -3.453   2.858   0.000  1.00  0.00          Cl  
HETATM   16 CL   UNL     1      -3.477  -2.858   0.000  1.00  0.00          Cl  
HETATM   17  C   UNL     1      -0.409  -0.596   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.177  -0.010   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.409   0.575   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.002  -0.010   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.414   0.704   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1       1.643  -0.295   0.000  1.00  0.00           S  
HETATM   23  C   UNL     1       2.239   0.704   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.652   1.419   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.239   2.133   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.414   2.133   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.002   1.419   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1       1.002   2.848   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1       3.477   1.419   0.000  1.00  0.00           F  
HETATM   30  C   UNL     1       2.131   0.370   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       1.554  -1.115   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       2.309  -0.783   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -0.540  -1.229   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1      -1.254  -1.641   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       0.177  -1.643   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1       0.177  -2.474   0.000  1.00  0.00           O  
HETATM   37  O   UNL     1       0.886  -1.233   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1       2.314  -1.242   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       1.607  -1.650   0.000  1.00  0.00           C  
CONECT    1    2    6   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   17   19                                            
CONECT    9    7   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    1                                                      
CONECT   16   12                                                      
CONECT   17    8   18   33                                            
CONECT   18   17   19   20                                            
CONECT   19   18    8                                                 
CONECT   20   18   21   22                                            
CONECT   21   20   23   27                                            
CONECT   22   20   30   31   32                                       
CONECT   23   21   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   21                                                 
CONECT   28   26                                                      
CONECT   29   24                                                      
CONECT   30   22                                                      
CONECT   31   22                                                      
CONECT   32   22                                                      
CONECT   33   17   34   35                                            
CONECT   34   33                                                      
CONECT   35   33   36   37                                            
CONECT   36   35                                                      
CONECT   37   35   39                                                 
CONECT   38   39                                                      
CONECT   39   37   38                                                 
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0LX6X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.122   0.302   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.122  -0.523   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.408  -0.935   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.693  -0.523   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.693   0.302   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.408   0.715   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.909  -0.778   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.424  -0.111   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.909   0.557   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.397  -0.024   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.732   0.729   0.000  1.00  0.00           N1+
HETATM   12  C   UNL     1       0.247   1.397   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.573   1.311   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.010  -0.576   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.724  -0.164   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.553   0.643   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.509  -0.419   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.122   0.133   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.951   0.940   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.166   1.195   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       0.924  -1.397   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5   13                                            
CONECT   10    8   11   14                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12    9                                                 
CONECT   14   10   15   21                                            
CONECT   15   14   16   17                                            
CONECT   16   15   11   20                                            
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   16                                                 
CONECT   21   14                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0LX9F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.713   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.713  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.001  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.716  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.716   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.001   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.001   1.444   0.000  1.00  0.00           C  
HETATM    8  H   UNL     1       0.716   1.856   0.000  1.00  0.00           H  
HETATM    9  O   UNL     1      -0.713   1.856   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1       0.001  -1.856   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1      -1.428  -1.031   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1       1.428  -1.444   0.000  1.00  0.00           N1+
HETATM   13  O   UNL     1       1.428  -0.619   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1       0.713  -1.856   0.000  1.00  0.00           O1-
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4   10                                            
CONECT    4    3    5   12                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8    9                                            
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    3                                                      
CONECT   11    2                                                      
CONECT   12    4   13   14                                            
CONECT   13   12                                                      
CONECT   14   12                                                      
MASTER        0    0    0    0    0    0    0    0   14    0   14    0
END
M  END

$$$$
D0LY6S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.684  -0.357   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.684  -1.182   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.398  -1.595   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.113  -1.182   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.113  -0.357   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.398   0.055   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.897  -1.437   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       3.382  -0.770   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       2.897  -0.102   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -0.031  -1.595   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.031  -2.420   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.684  -2.832   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       1.398  -2.420   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.031   0.055   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.745  -0.357   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1      -0.031   0.880   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.460   0.055   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       4.207  -0.770   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       4.620  -0.055   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       5.445  -0.055   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       5.857   0.659   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       5.445   1.374   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.620   1.374   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.207   0.659   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1       3.382   0.659   0.000  1.00  0.00           F  
HETATM   26 CL   UNL     1       5.857  -0.770   0.000  1.00  0.00          Cl  
HETATM   27  C   UNL     1      -1.460   0.880   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.174   1.293   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.889   0.880   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.889   0.055   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.174  -0.357   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1      -2.174   2.118   0.000  1.00  0.00           F  
HETATM   33  C   UNL     1      -3.603   1.293   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.318   1.705   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.032   2.118   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.445   2.832   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.857   2.118   0.000  1.00  0.00           C  
CONECT    1    2    6   14                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4   13                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   18                                            
CONECT    9    8    5                                                 
CONECT   10    2   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    3                                                 
CONECT   14    1   15   16                                            
CONECT   15   14   17                                                 
CONECT   16   14                                                      
CONECT   17   15   27   31                                            
CONECT   18    8   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21   26                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19   25                                            
CONECT   25   24                                                      
CONECT   26   20                                                      
CONECT   27   17   28                                                 
CONECT   28   27   29   32                                            
CONECT   29   28   30   33                                            
CONECT   30   29   31                                                 
CONECT   31   30   17                                                 
CONECT   32   28                                                      
CONECT   33   29   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36   37                                            
CONECT   36   35   37                                                 
CONECT   37   36   35                                                 
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0LZ1Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.187  -0.422   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.187  -1.247   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.472  -1.659   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.242  -1.247   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.242  -0.422   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.472  -0.009   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.901  -0.009   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.901  -1.659   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.901   0.816   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.616   1.228   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.330   0.816   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.330  -0.009   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.616  -0.422   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.616  -1.247   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.330  -1.659   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.330  -2.484   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.616  -2.897   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.901  -2.484   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -4.045   1.228   0.000  1.00  0.00          Cl  
HETATM   20 CL   UNL     1      -1.187  -2.897   0.000  1.00  0.00          Cl  
HETATM   21  C   UNL     1       0.855   0.130   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.520   0.884   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.301   0.798   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.662  -0.041   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       2.214   0.572   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1       1.917  -0.826   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.714  -1.039   0.000  1.00  0.00           C  
HETATM   28  S   UNL     1       0.932   1.599   0.000  1.00  0.00           S  
HETATM   29  O   UNL     1       0.218   2.011   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       0.932   2.424   0.000  1.00  0.00           O  
HETATM   31  N   UNL     1       1.757   1.599   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       2.341   2.182   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.030  -1.801   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.853  -1.736   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.045  -0.933   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.341  -0.503   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.163   2.182   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1       3.575   2.897   0.000  1.00  0.00           O  
HETATM   39  N   UNL     1       3.575   1.468   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   21                                            
CONECT    6    5    1   23                                            
CONECT    7    9   13    1                                            
CONECT    8    2   14   18                                            
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   19                                            
CONECT   12   11   13                                                 
CONECT   13   12    7                                                 
CONECT   14    8   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17    8   20                                            
CONECT   19   11                                                      
CONECT   20   18                                                      
CONECT   21    5   22   24                                            
CONECT   22   21   23   28                                            
CONECT   23   22    6                                                 
CONECT   24   21   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27                                                 
CONECT   27   33   36   26                                            
CONECT   28   22   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28   32                                                 
CONECT   32   31   37                                                 
CONECT   33   27   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   27                                                 
CONECT   37   32   38   39                                            
CONECT   38   37                                                      
CONECT   39   37                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0LZ4A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.622  -0.493   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.622  -1.315   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.909  -1.726   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.197  -1.315   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.197  -0.493   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.909  -0.082   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.416  -1.569   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.932  -0.904   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.416  -0.239   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.611  -0.068   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.357   0.714   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.907   1.325   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.712   1.154   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.966   0.372   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.653   2.107   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.151   2.278   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.161  -2.351   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.701   1.667   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.505   1.838   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.759   2.620   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.209   3.231   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.405   3.060   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.712  -2.962   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.458  -3.744   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.653  -3.915   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.103  -3.304   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.357  -2.522   0.000  1.00  0.00           N  
HETATM   28 CL   UNL     1      -2.008  -4.355   0.000  1.00  0.00          Cl  
HETATM   29  C   UNL     1      -0.867   2.904   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.450   2.321   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       2.563   2.791   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       2.817   3.573   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1       3.071   4.355   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       2.267   4.184   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1       3.622   3.744   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   17                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   10   14                                       
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16   29   30                                       
CONECT   16   15   18   22                                            
CONECT   17    7   23   27                                            
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   31   19   21                                            
CONECT   21   20   22                                                 
CONECT   22   21   16                                                 
CONECT   23   17   24                                                 
CONECT   24   23   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   17                                                 
CONECT   28   24                                                      
CONECT   29   15                                                      
CONECT   30   15                                                      
CONECT   31   32   20                                                 
CONECT   32   33   34   35   31                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0LZ5Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.147  -1.003   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.147  -1.828   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.862  -2.240   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.576  -1.828   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.576  -1.003   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.862  -0.590   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.221  -2.342   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       3.026  -2.158   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       3.384  -1.415   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.026  -0.672   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.221  -0.488   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1       3.449   0.036   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       2.906   0.658   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.147   0.334   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.439   0.757   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.458   1.581   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.752   2.010   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.029   1.581   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.029   0.757   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.752   0.328   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.688   1.990   0.000  1.00  0.00           O  
HETATM   22 CL   UNL     1      -0.567  -2.240   0.000  1.00  0.00          Cl  
HETATM   23  C   UNL     1       3.540  -2.803   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.400   1.574   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.119   1.978   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.829   1.574   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.829   0.749   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.119   0.344   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.400   0.749   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.122   2.803   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -3.540   2.803   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   22                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   23                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10    5   14                                            
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   11   15                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   24                                                 
CONECT   22    2                                                      
CONECT   23    8                                                      
CONECT   24   21   25   29                                            
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   31   25                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0LZ8I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.260   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.974  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.688   0.000   0.000  1.00  0.00           C  
HETATM    4  O   UNL     1       0.974  -1.237   0.000  1.00  0.00           O  
HETATM    5  O   UNL     1       2.442  -0.336   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1       2.994   0.278   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.581   0.992   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.775   0.820   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       3.814   0.191   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       4.150  -0.562   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       4.970  -0.648   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       5.455   0.019   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       5.119   0.772   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       4.299   0.859   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.260   0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.455   1.237   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.169   0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.169   0.000   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.455  -0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.883   1.237   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.597   0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.597   0.000   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.883  -0.412   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.312   1.237   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.026   0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.740   1.237   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.455   0.825   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.455   0.000   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.740  -0.412   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.026   0.000   0.000  1.00  0.00           C  
CONECT    1    2   15   19                                            
CONECT    2    1    3    4                                            
CONECT    3    2    5    8                                            
CONECT    4    2                                                      
CONECT    5    3    6                                                 
CONECT    6    5    7    9                                            
CONECT    7    6    8                                                 
CONECT    8    7    3                                                 
CONECT    9    6   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    1   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19   23                                            
CONECT   19   18    1                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0M0EP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.055   0.707   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.055  -0.118   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.729  -0.372   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.214   0.295   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.729   0.962   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.540  -0.785   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.055  -1.452   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.729  -1.198   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.770  -1.452   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.028  -2.283   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.825  -2.070   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.825  -1.245   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1       2.249  -0.537   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.452  -0.751   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.452  -1.576   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       2.039   0.295   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.851   0.925   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.425   1.518   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.425   0.707   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.629   0.489   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.734   2.283   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.249   1.518   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.212  -0.094   0.000  1.00  0.00           O  
CONECT    1    2    5   17                                            
CONECT    2    1    3    6   20                                       
CONECT    3    2    4    8   14                                       
CONECT    4    3    5   16                                            
CONECT    5    4    1                                                 
CONECT    6    2    7                                                 
CONECT    7    6    9                                                 
CONECT    8    3                                                      
CONECT    9    7   12                                                 
CONECT   10   11   15                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13    9                                            
CONECT   13   12   14                                                 
CONECT   14   13   15    3                                            
CONECT   15   14   10                                                 
CONECT   16    4                                                      
CONECT   17    1   18                                                 
CONECT   18   17   19   21   22                                       
CONECT   19   18   20                                                 
CONECT   20   19    2   23                                            
CONECT   21   18                                                      
CONECT   22   18                                                      
CONECT   23   20                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END

$$$$

$$$$

$$$$
D0M0RE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.429  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.715  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.000  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.715   0.206   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1       0.715  -1.444   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1       1.429  -1.031   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.429  -0.206   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.715   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.143   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.143   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.429   1.444   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.715   1.031   0.000  1.00  0.00           N  
HETATM   15  N   UNL     1       2.143  -1.444   0.000  1.00  0.00           N  
HETATM   16  F   UNL     1      -2.143  -1.444   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   16                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   15                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15    8                                                      
CONECT   16    2                                                      
MASTER        0    0    0    0    0    0    0    0   16    0   16    0
END
M  END

$$$$
D0M0TH
  -OEChem-09301911262D

 38 42  0     0  0  0  0  0  0999 V2000
    5.1688    0.3049    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0946    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.3237    2.3143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0131   -1.6190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0346   -0.4519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2223   -0.6472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3563   -0.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6193   -0.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0883   -0.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0244   -1.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0883    0.8528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3563    0.8528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5912   -0.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2223    1.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9768   -1.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0346    1.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4295   -2.5696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6182    0.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3988   -2.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9826   -1.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3452    2.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5786   -0.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3924   -2.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5844   -0.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3982   -2.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9942   -1.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4272   -2.0804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8194    1.1628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3451   -0.1220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2223    1.9728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2272   -1.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6887   -3.1328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2382    0.3528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0367   -2.9734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9312    2.5696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6429   -2.7915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3339    0.1723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0323   -2.6173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 26  1  0  0  0  0
  3 21  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 27  1  0  0  0  0
  5  9  1  0  0  0  0
  5 18  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 11  2  0  0  0  0
 10 17  1  0  0  0  0
 11 14  1  0  0  0  0
 11 16  1  0  0  0  0
 12 14  2  0  0  0  0
 12 28  1  0  0  0  0
 13 15  2  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 18  2  0  0  0  0
 16 21  1  0  0  0  0
 17 19  2  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 35  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 36  1  0  0  0  0
 24 26  2  0  0  0  0
 24 37  1  0  0  0  0
 25 26  1  0  0  0  0
 25 38  1  0  0  0  0
M  END

$$$$
D0M0UE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.870   0.285   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.454  -0.299   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.079  -1.034   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.264  -0.905   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.135  -0.090   0.000  1.00  0.00           C  
HETATM    6  S   UNL     1      -0.400   0.285   0.000  1.00  0.00           S  
HETATM    7  S   UNL     1       0.292  -0.165   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1       1.027   0.210   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.719  -0.239   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.070   1.034   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.454   0.135   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    1    6                                            
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9                                                      
MASTER        0    0    0    0    0    0    0    0   11    0   11    0
END
M  END

$$$$
D0M1ND
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.574   0.150   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.574  -0.675   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.859  -1.088   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.145  -0.675   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.145   0.150   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.859   0.562   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.430   0.562   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.716   0.150   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.001   0.562   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.001   1.387   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.716   1.800   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.430   1.387   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       0.713   0.150   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.428   0.562   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.142   0.150   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.857   0.562   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.571   0.150   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       4.286   0.562   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.286   1.387   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.571   1.800   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.857   1.387   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.142  -0.675   0.000  1.00  0.00           N  
HETATM   23 CL   UNL     1      -4.288   0.562   0.000  1.00  0.00          Cl  
HETATM   24  F   UNL     1       5.000   1.800   0.000  1.00  0.00           F  
HETATM   25  F   UNL     1       5.000   0.150   0.000  1.00  0.00           F  
HETATM   26  C   UNL     1      -4.288  -1.088   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -4.699  -0.376   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -5.000  -1.499   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -3.877  -1.800   0.000  1.00  0.00           F  
CONECT    1    2    6   23                                            
CONECT    2   26    1    3                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    9   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   22                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   25                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   15                                                      
CONECT   23    1                                                      
CONECT   24   19                                                      
CONECT   25   18                                                      
CONECT   26   27   28   29    2                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0M1RM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.289  -0.248   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.803  -0.893   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.620  -1.697   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.124  -2.055   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.867  -1.697   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.050  -0.893   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.536  -0.248   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.591  -0.650   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.196  -1.211   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.012  -2.015   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.224  -2.258   0.000  1.00  0.00           C  
HETATM   12  S   UNL     1       1.575  -2.120   0.000  1.00  0.00           S  
HETATM   13  C   UNL     1       2.196  -1.578   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.872  -0.819   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.791   0.536   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       0.124   1.021   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.544   0.536   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.124   1.846   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.838   2.258   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.552   1.846   0.000  1.00  0.00           C  
CONECT    1    2    7   17                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4   11                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   12                                            
CONECT    6    5    7   14                                            
CONECT    7    6    1   15                                            
CONECT    8    2    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    3                                                 
CONECT   12    5   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    6                                                 
CONECT   15    7   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16    1                                                 
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0M1TG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.173   4.340   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.173   3.515   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.459   3.102   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.744   3.515   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.744   4.340   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.459   4.752   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.030   4.752   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.888   4.752   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.030   3.102   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.030   2.277   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.685   1.865   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.685   1.040   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       1.399   2.277   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.017   0.555   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1       0.272  -0.230   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1       1.097  -0.230   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.352   0.555   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.137   0.810   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.582  -0.897   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.403  -0.811   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.459   2.277   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       1.247  -1.651   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.426  -1.737   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.091  -2.491   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       0.576  -3.159   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       1.396  -3.072   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.732  -2.319   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.888  -1.479   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.240  -3.912   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.581  -3.998   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -1.065  -3.331   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -0.916  -4.752   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -0.245  -3.245   0.000  1.00  0.00           F  
HETATM   34  H   UNL     1       1.995  -0.183   0.000  1.00  0.00           H  
CONECT    1    2    6    8                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   21                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    1                                                      
CONECT    9    4   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11   14   17                                            
CONECT   13   11                                                      
CONECT   14   12   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   12   18                                            
CONECT   18   17                                                      
CONECT   19   16   20   22   34                                       
CONECT   20   19   28                                                 
CONECT   21    3                                                      
CONECT   22   19   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   20                                                      
CONECT   29   25   30                                                 
CONECT   30   29   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
CONECT   34   19                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0M1UF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       1.306  -0.027   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       1.306  -0.852   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.021  -1.264   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       2.735  -0.852   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.735  -0.027   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.021   0.386   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.450  -1.264   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       3.536  -2.085   0.000  1.00  0.00           N  
HETATM    9  S   UNL     1       4.343  -2.256   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1       4.755  -1.542   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       4.203  -0.929   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       5.562  -1.370   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       5.817  -0.586   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       5.265   0.027   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.458  -0.144   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.592   0.386   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.123  -0.027   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.920   0.187   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.133   0.984   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.930   1.197   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.513   0.614   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.300  -0.183   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.503  -0.397   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.310   0.827   0.000  1.00  0.00           N  
HETATM   25  H   UNL     1      -3.894   0.244   0.000  1.00  0.00           H  
HETATM   26  C   UNL     1      -3.723   1.542   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.548   1.542   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.310   2.256   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1      -5.033   2.209   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -5.817   1.954   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.817   1.129   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.033   0.874   0.000  1.00  0.00           C  
CONECT    1    2    6   16                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10    7   15                                            
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16    1   17                                                 
CONECT   17   16   18                                                 
CONECT   18   19   23   17                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   21   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27   28                                            
CONECT   27   26   29   32                                            
CONECT   28   26                                                      
CONECT   29   27   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0M2JK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.846  -1.414   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.846  -2.239   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.132  -2.652   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.417  -2.239   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.417  -1.414   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.132  -1.002   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.703  -2.652   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.012  -2.239   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.726  -2.652   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.441  -2.239   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.441  -1.414   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.726  -1.002   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.012  -1.414   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       2.155  -1.002   0.000  1.00  0.00           N  
HETATM   15  N   UNL     1      -2.132  -0.177   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       2.869  -1.414   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.584  -1.002   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       3.584  -0.177   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.869   0.236   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.155  -0.177   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.464   0.308   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.719   1.093   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.544   1.093   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.799   0.308   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.029   1.760   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.584   0.053   0.000  1.00  0.00           O  
HETATM   27  N   UNL     1      -3.514   2.428   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -2.170   1.828   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.478   2.277   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.213   2.652   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   15                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   16   20                                            
CONECT   15    6   21   24                                            
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   14                                                 
CONECT   21   15   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25   28                                       
CONECT   24   23   15   26                                            
CONECT   25   23   27                                                 
CONECT   26   24                                                      
CONECT   27   25                                                      
CONECT   28   23   29   30                                            
CONECT   29   28   30                                                 
CONECT   30   29   28                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0M2OK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.601  -0.394   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.887   0.019   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.172  -0.394   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.542   0.019   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.542   0.844   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.172   1.256   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.887   0.844   0.000  1.00  0.00           C  
HETATM    8 CL   UNL     1      -1.601   1.256   0.000  1.00  0.00          Cl  
HETATM    9  N   UNL     1       1.257  -0.394   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.971   0.019   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.725  -0.317   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       3.277   0.296   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       2.865   1.011   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.058   0.839   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.098   0.210   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.582   0.878   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       5.403   0.791   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       5.888   1.459   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       4.247   1.631   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       5.738   0.038   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.315   0.019   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.030  -0.394   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.744   0.019   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.459  -0.394   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.459  -1.219   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.744  -1.631   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.030  -1.219   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1      -3.744   0.844   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -2.315  -1.631   0.000  1.00  0.00           F  
HETATM   30  O   UNL     1      -5.173   0.019   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -5.888  -0.394   0.000  1.00  0.00           C  
CONECT    1    2   21                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    2    8                                            
CONECT    8    7                                                      
CONECT    9    4   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   12   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18   20                                            
CONECT   18   17                                                      
CONECT   19   16                                                      
CONECT   20   17                                                      
CONECT   21    1   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24   28                                            
CONECT   24   23   25   30                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22   29                                            
CONECT   28   23                                                      
CONECT   29   27                                                      
CONECT   30   24   31                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0M2OY
  -OEChem-09301911142D

 35 35  0     0  0  0  0  0  0999 V2000
    5.4641    3.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.2624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -0.9527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    2.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    2.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    3.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    4.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -5.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -5.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    5.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    5.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 14  2  0  0  0  0
  3 16  2  0  0  0  0
  4  7  1  0  0  0  0
  4 14  1  0  0  0  0
  4 23  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 28  1  0  0  0  0
  6 11  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 21  1  0  0  0  0
 10 13  2  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
M  END

$$$$
D0M2RT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.176   1.927   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.176   1.102   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.462   0.689   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.747   1.102   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.747   1.927   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.462   2.339   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.033   0.689   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.946  -0.131   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.139  -0.303   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.273   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.279   1.025   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.560  -0.683   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.344  -0.428   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.957  -0.980   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.786  -1.787   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.001  -2.042   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.388  -1.490   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -3.399  -2.339   0.000  1.00  0.00          Cl  
HETATM   19  C   UNL     1       1.093   0.498   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       1.579  -0.169   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1       1.429   1.252   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1       2.250   1.338   0.000  1.00  0.00           N  
HETATM   23 CL   UNL     1      -3.890   2.339   0.000  1.00  0.00          Cl  
HETATM   24 CL   UNL     1      -0.603  -1.745   0.000  1.00  0.00          Cl  
HETATM   25  C   UNL     1       2.735   0.670   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.555   0.757   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.890   1.510   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.406   2.178   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.585   2.092   0.000  1.00  0.00           C  
HETATM   30  S   UNL     1      -0.279   1.028   0.000  1.00  0.00           S  
HETATM   31  O   UNL     1       0.304   0.444   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.064   0.773   0.000  1.00  0.00           C  
CONECT    1    2    6   23                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   19                                            
CONECT   11   10    7   30                                            
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   24                                            
CONECT   18   15                                                      
CONECT   19   10   20   21                                            
CONECT   20   19                                                      
CONECT   21   19   22                                                 
CONECT   22   21   25   29                                            
CONECT   23    1                                                      
CONECT   24   17                                                      
CONECT   25   22   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   22                                                 
CONECT   30   11   31   32                                            
CONECT   31   30                                                      
CONECT   32   30                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0M2TO
  -OEChem-09301911112D

 31 32  0     0  0  0  0  0  0999 V2000
    4.5981   -0.2047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026    2.7898    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5116    1.3886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    2.9977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    2.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.8947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.1221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -1.8124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.8124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.1221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.5970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -3.2873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -3.2873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.5970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -3.6796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -3.6796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -0.3124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.6053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2418    3.2047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7974    2.0669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 29  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  3 30  1  0  0  0  0
  4 14  2  0  0  0  0
  4 15  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 15 31  1  0  0  0  0
M  END

$$$$
D0M2WA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  O   UNL     1      -2.133   0.018   0.000  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.308   0.018   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.896  -0.696   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.231  -1.450   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.618  -2.002   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.096  -1.589   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.075  -0.782   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.618  -2.827   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.096  -3.239   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.811  -2.827   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.811  -2.002   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.596  -3.082   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.080  -2.414   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.596  -1.747   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.477  -0.169   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.284  -0.341   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.836   0.272   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.581   1.057   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.774   1.228   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.222   0.615   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.133   1.670   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.878   2.455   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       1.623   3.239   0.000  1.00  0.00           N  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    7   11                                            
CONECT    7    6    3   15                                            
CONECT    8    5    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10    6   14                                            
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   11                                                 
CONECT   15   16   20    7                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0M2XJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  O   UNL     1      -2.858  -1.801   0.000  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.143  -1.388   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -1.801   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.714  -1.388   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.714  -0.563   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429  -0.151   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.143  -0.563   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.000  -1.801   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.715  -1.388   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.715  -0.563   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.000  -0.151   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       0.000   0.674   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.715   1.087   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.429   0.674   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.143   1.087   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.143   1.912   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.429   2.324   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.715   1.912   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.858  -0.151   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.858   0.674   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.572  -1.389   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.287  -1.801   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.001  -1.389   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.716  -1.801   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -5.716  -2.626   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.001  -3.038   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.287  -2.626   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.430  -3.039   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.145  -2.626   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -7.859  -3.039   0.000  1.00  0.00           N  
HETATM   31  O   UNL     1      -7.145  -1.801   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -8.574  -2.626   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       2.858   2.324   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1       3.572   1.912   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.287   2.324   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1       3.572   1.087   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1       5.001   1.912   0.000  1.00  0.00           C  
HETATM   38  N   UNL     1       5.716   2.324   0.000  1.00  0.00           N  
HETATM   39  O   UNL     1       5.001   1.087   0.000  1.00  0.00           O  
HETATM   40  C   UNL     1       6.430   1.912   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       6.430   1.087   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       7.145   0.674   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       7.859   1.087   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       7.859   1.912   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1       7.145   2.324   0.000  1.00  0.00           C  
HETATM   46  F   UNL     1       8.574   0.674   0.000  1.00  0.00           F  
HETATM   47  C   UNL     1       4.699   3.039   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1       3.874   3.039   0.000  1.00  0.00           C  
CONECT    1    2   21                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6   11                                            
CONECT    6    5    7                                                 
CONECT    7    6    2   19                                            
CONECT    8    4    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    5   12                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   33                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19    7   20                                                 
CONECT   20   19                                                      
CONECT   21    1   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   25   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29   32                                                 
CONECT   31   29                                                      
CONECT   32   30                                                      
CONECT   33   16   34                                                 
CONECT   34   33   35   36                                            
CONECT   35   34   37   47   48                                       
CONECT   36   34                                                      
CONECT   37   35   38   39                                            
CONECT   38   37   40                                                 
CONECT   39   37                                                      
CONECT   40   38   41   45                                            
CONECT   41   40   42                                                 
CONECT   42   41   43                                                 
CONECT   43   42   44   46                                            
CONECT   44   43   45                                                 
CONECT   45   44   40                                                 
CONECT   46   43                                                      
CONECT   47   35   48                                                 
CONECT   48   47   35                                                 
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
M  END

$$$$
D0M2ZX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.228   0.410   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.228  -0.415   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.514  -0.827   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.799  -0.415   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.799   0.410   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.514   0.823   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.015  -0.670   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.530  -0.002   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.015   0.665   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -3.943   0.823   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.295  -0.002   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.708  -0.717   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.533  -0.717   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.945  -0.002   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.533   0.712   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.708   0.712   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.094  -0.865   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.808  -1.278   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       2.096   1.278   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       3.324   0.569   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       2.715   0.205   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       3.943  -0.503   0.000  1.00  0.00           C  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8    5                                                 
CONECT   10    1                                                      
CONECT   11    8   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15   21                                            
CONECT   15   14   16   19                                            
CONECT   16   15   11                                                 
CONECT   17   13   18                                                 
CONECT   18   17                                                      
CONECT   19   20   15                                                 
CONECT   20   19                                                      
CONECT   21   22   14                                                 
CONECT   22   21                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0M3CB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.309   0.312   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.522  -0.485   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.939  -1.069   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.142  -0.855   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.928  -0.058   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.512   0.525   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.450  -1.305   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.191  -0.785   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.104  -0.015   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.345   0.677   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.152   0.848   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.980   1.655   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.173   1.484   0.000  1.00  0.00           C  
HETATM   14  S   UNL     1       1.430   2.347   0.000  1.00  0.00           S  
HETATM   15  C   UNL     1       0.928   0.093   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.725   0.307   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.522   0.520   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.842   3.062   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       2.133   1.916   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1       0.726   2.778   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       1.430   3.776   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.407  -2.128   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.099  -2.578   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.055  -3.402   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.320  -3.776   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       0.372  -3.327   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.328  -2.503   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       1.168  -3.540   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       1.618  -2.848   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.099  -2.207   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   22                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9   11   13   15                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   10                                                 
CONECT   14   12   18   19   20                                       
CONECT   15   10   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16                                                      
CONECT   18   14   21                                                 
CONECT   19   14                                                      
CONECT   20   14                                                      
CONECT   21   18                                                      
CONECT   22    7   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   22   30                                            
CONECT   28   26   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   27                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0M3DM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.711   0.043   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.711  -0.782   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.997  -1.195   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.282  -0.782   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.282   0.043   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.997   0.455   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.498  -1.037   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.013  -0.370   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.498   0.298   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.243   1.082   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1      -1.243  -1.822   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1      -0.429   0.213   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.429  -0.953   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.643  -1.750   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.060  -2.333   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.737  -2.120   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.951  -1.323   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.367  -0.740   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.367   0.000   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.951   0.583   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.737   1.380   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.060   1.594   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.643   1.010   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.321   1.964   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.118   1.750   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.331   0.953   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.128   0.740   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.711   1.323   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.498   2.120   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.701   2.333   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12   13                                       
CONECT    9    8    5   10                                            
CONECT   10    9                                                      
CONECT   11    7                                                      
CONECT   12    8   19   23                                            
CONECT   13    8   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   12   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   12                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0M3EA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.568  -2.062   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.568  -2.887   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.147  -3.299   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.861  -2.887   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.861  -2.062   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.147  -1.649   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.576  -3.299   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.147  -0.824   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.861  -0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.861   0.413   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.147   0.826   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.568   0.413   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.568  -0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.576  -0.824   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.282  -0.824   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.282   0.826   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.282   1.651   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1      -1.997   0.413   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.576   0.826   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.373   0.612   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.822   1.304   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.303   1.945   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1       1.532   1.649   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       0.818   2.062   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.818   2.887   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.103   3.299   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.611   2.887   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.611   2.062   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.103   1.649   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.325   3.299   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.997   2.063   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.409   2.777   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.822   2.063   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       2.290  -3.712   0.000  1.00  0.00           N  
HETATM   35  N   UNL     1      -2.040   3.712   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    4   34                                                 
CONECT    8    6    9   13                                            
CONECT    9    8   10   14                                            
CONECT   10    9   11   19                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12    8   15                                            
CONECT   14    9                                                      
CONECT   15   13                                                      
CONECT   16   12   17   18                                            
CONECT   17   16   31                                                 
CONECT   18   16                                                      
CONECT   19   10   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   19   24                                            
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27   35                                                 
CONECT   31   17   32   33                                            
CONECT   32   31   33                                                 
CONECT   33   32   31                                                 
CONECT   34    7                                                      
CONECT   35   30                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0M3VE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.263  -1.115   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.438  -1.115   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.026  -0.400   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.438   0.314   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.263   0.314   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.676  -0.400   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.219  -0.229   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.132   0.592   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.886   0.927   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.418   1.004   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.418   1.829   0.000  1.00  0.00           O  
HETATM   12 BR   UNL     1      -3.676  -1.829   0.000  1.00  0.00          Br  
HETATM   13  N   UNL     1       0.296   0.592   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.235  -0.231   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.840  -0.792   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.655  -0.669   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.068   0.045   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.766   0.813   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.978   1.056   0.000  1.00  0.00           C  
HETATM   20  S   UNL     1       2.208  -1.282   0.000  1.00  0.00           S  
HETATM   21  C   UNL     1       2.961  -0.947   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.875  -0.126   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.676  -1.359   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    4                                                 
CONECT   10    8   11   13                                            
CONECT   11   10                                                      
CONECT   12    1                                                      
CONECT   13   10   14   19                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   13                                                 
CONECT   20   16   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   17                                                 
CONECT   23   21                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0M4BI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.644  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.644  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.930  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.215  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.215  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.930   0.206   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.359   0.206   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1      -3.930   1.031   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.359   1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.215   1.444   0.000  1.00  0.00           C  
HETATM   11 BR   UNL     1      -3.930  -2.269   0.000  1.00  0.00          Br  
HETATM   12  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.501   1.031   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1      -1.786  -0.206   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.357  -0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.357   0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.072  -0.206   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.786   0.206   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.501  -0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.215   0.206   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.215   1.031   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.501   1.444   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.786   1.031   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.930  -0.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.644   0.206   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.644   1.031   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.930   1.444   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       5.359   1.444   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       5.359  -0.206   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       5.359   2.269   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.359  -1.031   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   11                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   12                                            
CONECT    6    5    1    8                                            
CONECT    7    1    9                                                 
CONECT    8    6   10                                                 
CONECT    9    7                                                      
CONECT   10    8                                                      
CONECT   11    3                                                      
CONECT   12    5   13   14                                            
CONECT   13   12                                                      
CONECT   14   12   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23   28                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   21   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   28   29                                            
CONECT   28   27   22                                                 
CONECT   29   27   31                                                 
CONECT   30   26   32                                                 
CONECT   31   29                                                      
CONECT   32   30                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0M4EQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.724   0.462   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.724  -0.363   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.940  -0.618   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.455   0.049   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.940   0.717   0.000  1.00  0.00           C  
HETATM    6  S   UNL     1      -2.307  -0.947   0.000  1.00  0.00           S  
HETATM    7  C   UNL     1       0.370   0.049   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.855  -0.618   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.640  -0.363   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.640   0.462   0.000  1.00  0.00           C  
HETATM   11  S   UNL     1       0.855   0.717   0.000  1.00  0.00           S  
HETATM   12  C   UNL     1       2.307   0.947   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    1                                                 
CONECT    6    2                                                      
CONECT    7    4    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10    7                                                 
CONECT   12   10                                                      
MASTER        0    0    0    0    0    0    0    0   12    0   12    0
END
M  END

$$$$
D0M4KF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.000   0.619   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.715   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.429   0.619   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       1.429   1.444   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.715   1.856   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.000   1.444   0.000  1.00  0.00           N  
HETATM   13  H   UNL     1       0.000  -1.031   0.000  1.00  0.00           H  
HETATM   14  C   UNL     1      -2.858   0.619   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.572   1.031   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       2.143   0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.143  -0.619   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.858  -1.031   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       3.572  -0.619   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       3.572   0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.858   0.619   0.000  1.00  0.00           C  
HETATM   22  F   UNL     1       2.858   1.444   0.000  1.00  0.00           F  
HETATM   23  C   UNL     1      -1.429  -1.856   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.254  -1.856   0.000  1.00  0.00           N  
CONECT    1    2    6   14                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   23                                            
CONECT    4    3    5   13                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   16                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    4                                                      
CONECT   14    1   15                                                 
CONECT   15   14                                                      
CONECT   16    9   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16   22                                            
CONECT   22   21                                                      
CONECT   23    3   24                                                 
CONECT   24   23                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0M4LK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.000  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.000  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.715  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.429  -1.031   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.429  -0.206   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.715   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.214  -1.286   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.699  -0.619   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.214   0.049   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.469  -2.071   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.917  -2.684   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.276  -2.242   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.715  -1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.715   1.031   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.000   1.444   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       1.429   1.444   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.429   2.269   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.143   2.681   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.858   2.269   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       3.572   2.681   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       3.572   3.506   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.858   3.919   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.143   3.506   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.287   3.919   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.429   3.919   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.429  -1.031   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.143  -1.444   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.143  -2.269   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -1.429  -2.681   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -0.715  -2.269   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -2.858  -2.681   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1      -3.572  -2.269   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.287  -2.681   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1      -4.287  -3.506   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1      -3.572  -3.919   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.858  -3.506   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.828  -1.629   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1       2.858   1.444   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1       0.715   3.506   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       0.000   3.919   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   14                                            
CONECT    7    4    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    7   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   37                                                 
CONECT   13    2   26   30                                            
CONECT   14    6   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20   38                                            
CONECT   20   21   19                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18   25                                            
CONECT   24   21                                                      
CONECT   25   23   39                                                 
CONECT   26   13   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   13                                                 
CONECT   31   28   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
CONECT   37   12                                                      
CONECT   38   19                                                      
CONECT   39   25   40                                                 
CONECT   40   39                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0M4WY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.345  -0.378   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.369   0.034   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.084  -0.378   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.798   0.034   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.060   0.034   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.060   0.859   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.774   1.272   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.488   0.859   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.488   0.034   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.774  -0.378   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.203  -0.378   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.203  -1.203   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.488  -1.616   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.774  -1.203   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.369   0.859   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.187   1.986   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.361   1.986   0.000  1.00  0.00           C  
HETATM   18  F   UNL     1      -3.917   0.034   0.000  1.00  0.00           F  
HETATM   19  F   UNL     1      -3.917  -1.616   0.000  1.00  0.00           F  
HETATM   20  C   UNL     1       2.513  -0.378   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.227   0.034   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.227   0.859   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.513   1.272   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.798   0.859   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.684  -1.185   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.505  -1.272   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.840  -0.518   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       3.917  -1.986   0.000  1.00  0.00           O  
CONECT    1    2    5                                                 
CONECT    2    1    3   15                                            
CONECT    3    2    4                                                 
CONECT    4    3   20   24                                            
CONECT    5    1    6   10                                            
CONECT    6    5    7                                                 
CONECT    7    6    8   16   17                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12   18                                            
CONECT   12   11   13   19                                            
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15    2                                                      
CONECT   16    7                                                      
CONECT   17    7                                                      
CONECT   18   11                                                      
CONECT   19   12                                                      
CONECT   20    4   21   25                                            
CONECT   21   20   22   27                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23    4                                                 
CONECT   25   20   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   21                                                 
CONECT   28   26                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0M4XO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.004  -0.400   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.576  -1.106   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.249  -1.088   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.646  -0.364   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.218   0.341   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.607   0.323   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.456   1.131   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.222   1.601   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.879   1.102   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.828  -0.418   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.235   1.403   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.860   0.864   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1       1.389   2.213   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       2.198  -0.355   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.682   0.096   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.252  -0.140   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.532  -0.935   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.100  -0.742   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.692  -0.033   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       2.971   0.440   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.317   0.247   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.100  -0.012   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.100  -0.837   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.317  -1.088   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       0.677  -1.801   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1      -0.038  -2.213   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1       0.264  -1.086   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       1.391  -1.388   0.000  1.00  0.00           F  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   25                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1    9                                            
CONECT    7    5    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8    6                                                 
CONECT   10    1   21   24                                            
CONECT   11    7   12   13                                            
CONECT   12   11   15   14                                            
CONECT   13   11                                                      
CONECT   14   17   18   12                                            
CONECT   15   12   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   14                                                 
CONECT   18   14   20                                                 
CONECT   19   15   20                                                 
CONECT   20   19   18                                                 
CONECT   21   10   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   10                                                 
CONECT   25    3   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0M5AG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.715  -2.062   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.715  -2.888   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.000  -3.300   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.286  -2.888   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.286  -2.062   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -5.000  -1.650   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -5.000  -0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.286  -0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.286   0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.000   0.825   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.715   0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.715  -0.412   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -5.000   1.650   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.286   2.062   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.571   1.650   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.857   2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.857   2.888   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.571   3.300   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.286   2.888   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.142   1.650   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.428   2.062   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.428   2.888   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.142   3.300   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.142   4.125   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.713   3.300   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.001   2.888   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.716   3.300   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.716   4.125   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.001   4.537   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.713   4.125   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       1.430   2.888   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       2.145   3.300   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.859   2.888   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       2.145   4.125   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       2.859   2.062   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.574   1.650   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.288   2.062   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       4.288   2.888   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       3.574   3.300   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.000  -4.125   0.000  1.00  0.00           C  
HETATM   41  N   UNL     1      -4.286  -4.537   0.000  1.00  0.00           N  
HETATM   42  O   UNL     1      -5.715  -4.537   0.000  1.00  0.00           O  
HETATM   43  C   UNL     1      -3.571  -4.125   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.857  -4.537   0.000  1.00  0.00           C  
HETATM   45  O   UNL     1      -2.142  -4.125   0.000  1.00  0.00           O  
HETATM   46  C   UNL     1       5.000   3.300   0.000  1.00  0.00           C  
HETATM   47  F   UNL     1       4.588   4.014   0.000  1.00  0.00           F  
HETATM   48  F   UNL     1       5.715   3.712   0.000  1.00  0.00           F  
HETATM   49  F   UNL     1       5.413   2.586   0.000  1.00  0.00           F  
HETATM   50  C   UNL     1      -1.428   4.537   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   40                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18   23                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   16   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   17   24                                            
CONECT   24   23                                                      
CONECT   25   22   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25   50                                            
CONECT   31   27   32                                                 
CONECT   32   31   33   34                                            
CONECT   33   32   35   39                                            
CONECT   34   32                                                      
CONECT   35   33   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39   46                                            
CONECT   39   38   33                                                 
CONECT   40    3   41   42                                            
CONECT   41   40   43                                                 
CONECT   42   40                                                      
CONECT   43   41   44                                                 
CONECT   44   43   45                                                 
CONECT   45   44                                                      
CONECT   46   38   47   48   49                                       
CONECT   47   46                                                      
CONECT   48   46                                                      
CONECT   49   46                                                      
CONECT   50   30                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
M  END

$$$$
D0M5AR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.056   0.255   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.231   0.255   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.818   0.969   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.231   1.684   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.056   1.684   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.468   0.969   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.007   0.969   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.491   0.302   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.276   0.557   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.276   1.382   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.491   1.637   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.237  -0.483   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.944   1.867   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.697   1.531   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.365   2.016   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.570  -0.654   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.825  -1.439   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.273  -2.052   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.534  -1.880   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.789  -1.096   0.000  1.00  0.00           C  
HETATM   21 BR   UNL     1      -0.528  -2.837   0.000  1.00  0.00          Br  
HETATM   22  C   UNL     1       3.279   2.837   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.118   1.681   0.000  1.00  0.00           C  
HETATM   24  S   UNL     1      -3.293   0.971   0.000  1.00  0.00           S  
HETATM   25  O   UNL     1      -3.293   0.146   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1      -4.118   0.971   0.000  1.00  0.00           O  
HETATM   27  N   UNL     1      -3.293   1.796   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   24                                            
CONECT    7    3    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10    7                                                 
CONECT   12    8   16   20                                            
CONECT   13   10   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   22   23                                            
CONECT   16   12   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   12                                                 
CONECT   21   18                                                      
CONECT   22   15                                                      
CONECT   23   15                                                      
CONECT   24    6   25   26   27                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0M5BR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.990   2.102   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.943   1.282   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.209   0.912   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.478   1.363   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.431   2.184   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.303   2.553   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.274   1.154   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.718   1.846   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.198   2.482   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.682   0.464   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.222  -0.217   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.582  -0.956   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.402  -1.014   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.862  -0.332   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.502   0.407   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.929  -1.632   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1      -1.631   0.830   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.583   0.010   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.271  -0.442   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.224  -1.262   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.862  -1.785   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.563  -2.553   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.739  -2.506   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.530  -1.708   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.489  -1.267   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   17                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    7   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   12   25                                                 
CONECT   17    2   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   20   25                                            
CONECT   25   24   16                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0M5DX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.672   0.668   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.672  -0.157   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.958  -0.569   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.243  -0.157   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.243   0.668   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.958   1.081   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.529   1.081   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.186   0.668   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       0.186  -0.157   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1       0.900   1.081   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.615   0.668   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.701  -0.152   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.508  -0.324   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.920   0.391   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1       2.368   1.004   0.000  1.00  0.00           S  
HETATM   16  S   UNL     1       3.745   0.391   0.000  1.00  0.00           S  
HETATM   17  C   UNL     1       4.158  -0.324   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       4.983  -0.324   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       5.468  -0.991   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       6.252  -0.736   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       6.252   0.089   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       5.468   0.344   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       6.920   0.574   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       7.673   0.238   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       6.834   1.394   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       7.634   0.986   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.387  -0.569   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.101  -0.157   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.816  -0.569   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.530  -0.157   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.245  -0.569   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1      -6.245  -1.394   0.000  1.00  0.00           O  
HETATM   33  N   UNL     1      -6.959  -0.157   0.000  1.00  0.00           N  
HETATM   34  O   UNL     1      -7.673  -0.569   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   27                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   11                                                 
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   18                                                 
CONECT   23   21   24   25   26                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23                                                      
CONECT   27    2   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   33                                            
CONECT   32   31                                                      
CONECT   33   31   34                                                 
CONECT   34   33                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0M5EC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.784  -0.615   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.496  -0.203   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       3.208  -0.615   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       3.920  -0.203   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       3.920   0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.208   1.030   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.496   0.619   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       4.632   1.030   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       5.344   0.619   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1       4.632   1.852   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.069  -0.202   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.355  -0.615   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.355  -1.440   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.069  -1.852   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.784  -1.440   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.360  -1.852   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.072  -1.441   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.784  -1.852   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.496  -1.441   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.208  -1.852   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.920  -1.441   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.632  -1.852   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.344  -1.441   0.000  1.00  0.00           C  
CONECT    1    2   11   15                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    7                                                 
CONECT    7    6    2                                                 
CONECT    8    5    9   10                                            
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11    1   12                                                 
CONECT   12   11   13                                                 
CONECT   13   16   12   14                                            
CONECT   14   13   15                                                 
CONECT   15   14    1                                                 
CONECT   16   17   13                                                 
CONECT   17   18   16                                                 
CONECT   18   19   17                                                 
CONECT   19   20   18                                                 
CONECT   20   21   19                                                 
CONECT   21   22   20                                                 
CONECT   22   23   21                                                 
CONECT   23   22                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0M5LL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.536   0.711   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.747  -0.087   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.162  -0.668   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.366  -0.453   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.155   0.345   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.740   0.926   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.421   0.721   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.552   1.536   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1      -3.367   1.663   0.000  1.00  0.00           S  
HETATM   10  S   UNL     1      -1.970   2.121   0.000  1.00  0.00           S  
HETATM   11  C   UNL     1      -1.685   0.349   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.971   0.763   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.256   0.352   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.458   0.767   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       1.173   0.356   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.177  -0.469   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.893  -0.878   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.606  -0.469   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.606   0.356   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.893   0.766   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.320  -0.882   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.318  -1.707   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.032  -2.121   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.747  -1.707   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.747  -0.882   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.032  -0.469   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1    9                                            
CONECT    7    5    8   11                                            
CONECT    8    7    9   10                                            
CONECT    9    8    6                                                 
CONECT   10    8                                                      
CONECT   11    7   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0M6CN
  -OEChem-09301911132D

 60 63  0     1  0  0  0  0  0999 V2000
    2.3984    1.6301    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8950    2.4980    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4041    2.6714    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.4041    1.6714    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4041    1.6714    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381    0.1306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8779   -2.3527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0022    0.1439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7381   -0.8494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2702    0.1373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4041   -1.3286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702    0.1714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1458   -2.3594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1362   -1.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3950   -2.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1021   -1.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3609   -2.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702   -0.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5381   -0.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5381    0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6442   -1.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6442    0.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7381    0.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1420   -1.3594    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2740   -0.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    0.6339    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3984    1.6339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0061   -0.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4041    0.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2625    2.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8740   -1.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1304    1.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1343    0.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4041    1.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6443   -1.7060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7961   -2.4550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5555   -2.8934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7010   -0.9093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9416   -0.4709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5214   -2.6345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9598   -1.8752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2505   -1.8422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0488   -1.8330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0488    1.1759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2505    1.1851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5290    0.7760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1272    0.0862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6801   -1.6673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6630   -0.7574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0642   -1.4462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4028   -0.3796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6057   -0.3826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6592    2.6137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8621    2.6107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7414    1.5353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3402    2.2240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6840   -2.6673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6101   -2.6714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 27  1  0  0  0  0
  3 34  1  0  0  0  0
  4 34  1  0  0  0  0
  5 34  1  0  0  0  0
  6 26  1  0  0  0  0
  6 60  1  0  0  0  0
  7 31  2  0  0  0  0
  8 33  2  0  0  0  0
  9 21  1  0  0  0  0
  9 23  1  0  0  0  0
  9 31  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 33  1  0  0  0  0
 11 18  2  0  0  0  0
 11 19  1  0  0  0  0
 12 18  1  0  0  0  0
 12 29  2  0  0  0  0
 24 13  1  6  0  0  0
 13 58  1  0  0  0  0
 13 59  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 18  1  0  0  0  0
 14 35  1  0  0  0  0
 15 17  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 29  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 26 27  1  0  0  0  0
 26 51  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
 29 34  1  0  0  0  0
 30 32  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
 32 33  1  0  0  0  0
 32 56  1  0  0  0  0
 32 57  1  0  0  0  0
M  END

$$$$
D0M6JD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.365   1.749   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.365   0.924   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.651   0.511   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.936   0.924   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.936   1.749   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.651   2.161   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.150   2.004   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.635   1.336   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.150   0.669   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.405   2.789   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.651  -0.314   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.222   0.511   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.507   0.924   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.793   0.511   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1      -2.222  -0.314   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.793  -0.314   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.078  -0.726   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.636  -0.314   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.636   0.511   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.078   0.924   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       1.350  -0.726   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.065  -0.314   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.779  -0.726   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.779  -1.551   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.494  -1.964   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.208  -1.551   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.208  -0.726   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       3.494  -0.314   0.000  1.00  0.00           N  
HETATM   29  O   UNL     1       2.065   0.511   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       3.494  -2.789   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.923  -1.964   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       5.635  -2.375   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   11                                            
CONECT    4    3    5   12                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    7                                                      
CONECT   11    3                                                      
CONECT   12    4   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13   16   20                                            
CONECT   15   12                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   14                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23   29                                            
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   31   25   27                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   22                                                      
CONECT   30   25                                                      
CONECT   31   32   26                                                 
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0M6LX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143   2.062   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143   1.238   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715   1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715   2.062   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429   2.475   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.000   0.825   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.000   0.000   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.715  -0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.715  -1.238   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.000  -1.650   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.715  -1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.715  -0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.429  -1.650   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.143  -1.238   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.143  -0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.429   0.000   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.000  -2.475   0.000  1.00  0.00           N1+
HETATM   19  O   UNL     1       0.714  -2.888   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.715  -2.888   0.000  1.00  0.00           O1-
HETATM   21  C   UNL     1      -1.429   2.888   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.715   2.475   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.143   2.475   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   21                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   18                                            
CONECT   12   11   13   14                                            
CONECT   13   12    8   17                                            
CONECT   14   12   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   13                                                 
CONECT   18   11   19   20                                            
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21    6   22   23                                            
CONECT   22   21                                                      
CONECT   23   21                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0M6MM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.349   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.349  -0.412   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.635  -0.825   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.080  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.080   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.635   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.794   0.825   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       1.509   0.412   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1       0.794   1.650   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.064  -0.825   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.778  -0.412   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.493  -0.825   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -4.207  -0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.922  -0.825   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.922  -1.650   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.207  -2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.493  -1.650   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.223   0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.938   0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.652   0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.652   1.650   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.938   2.062   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.223   1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.437   0.570   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.922   1.238   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.437   1.905   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   18                                                 
CONECT    9    7                                                      
CONECT   10    2   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    8   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   20   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0M6MP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.261  -0.470   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.975  -0.882   0.000  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.546  -0.882   0.000  1.00  0.00           O  
HETATM    4  O   UNL     1      -1.975  -1.707   0.000  1.00  0.00           O  
HETATM    5  O   UNL     1      -2.690  -0.470   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1      -0.546  -1.707   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.261  -2.120   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.261  -2.945   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.546  -3.357   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.168  -2.945   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.168  -2.120   0.000  1.00  0.00           C  
HETATM   12  S   UNL     1       0.953  -3.200   0.000  1.00  0.00           S  
HETATM   13  C   UNL     1       1.438  -2.532   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.953  -1.865   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.208  -1.080   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.263  -2.532   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.015  -0.909   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.269  -0.124   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.718   0.489   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.910   0.317   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.656  -0.467   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.567  -1.522   0.000  1.00  0.00           C  
HETATM   23 CL   UNL     1       3.076   0.047   0.000  1.00  0.00          Cl  
HETATM   24  O   UNL     1       1.972   1.274   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       2.779   1.445   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.034   2.230   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       3.841   2.401   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       4.393   1.788   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.200   1.960   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       5.455   2.744   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       4.903   3.357   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.096   3.186   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       6.262   2.916   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.261   0.355   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.546   0.768   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       0.168   0.355   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       0.882   0.768   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       0.882   1.593   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       0.168   2.005   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.546   1.593   0.000  1.00  0.00           C  
HETATM   41  O   UNL     1      -1.261   2.005   0.000  1.00  0.00           O  
HETATM   42  C   UNL     1      -1.975   1.593   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.690   2.005   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.690   2.830   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1      -3.404   3.243   0.000  1.00  0.00           C  
HETATM   46  N   UNL     1      -4.119   2.830   0.000  1.00  0.00           N  
HETATM   47  C   UNL     1      -4.119   2.005   0.000  1.00  0.00           C  
HETATM   48  N   UNL     1      -3.404   1.593   0.000  1.00  0.00           N  
HETATM   49  C   UNL     1      -4.833   1.593   0.000  1.00  0.00           C  
HETATM   50  C   UNL     1      -5.548   2.005   0.000  1.00  0.00           C  
HETATM   51  C   UNL     1      -6.262   1.593   0.000  1.00  0.00           C  
HETATM   52  C   UNL     1      -6.262   0.768   0.000  1.00  0.00           C  
HETATM   53  C   UNL     1      -5.548   0.355   0.000  1.00  0.00           C  
HETATM   54  C   UNL     1      -4.833   0.768   0.000  1.00  0.00           C  
HETATM   55  O   UNL     1      -4.119   0.355   0.000  1.00  0.00           O  
HETATM   56  C   UNL     1      -3.404   0.768   0.000  1.00  0.00           C  
HETATM   57  C   UNL     1       2.675  -3.247   0.000  1.00  0.00           C  
HETATM   58  C   UNL     1       3.500  -3.247   0.000  1.00  0.00           C  
HETATM   59  C   UNL     1       3.913  -2.532   0.000  1.00  0.00           C  
HETATM   60  C   UNL     1       3.500  -1.818   0.000  1.00  0.00           C  
HETATM   61  C   UNL     1       2.675  -1.818   0.000  1.00  0.00           C  
HETATM   62  F   UNL     1       4.738  -2.532   0.000  1.00  0.00           F  
CONECT    1    2    3   34                                            
CONECT    2    1    4    5                                            
CONECT    3    1    6                                                 
CONECT    4    2                                                      
CONECT    5    2                                                      
CONECT    6    3    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10    6   14                                            
CONECT   12   10   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   11   15                                            
CONECT   15   14   17   21                                            
CONECT   16   13   57   61                                            
CONECT   17   15   18   22                                            
CONECT   18   17   19   23                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   15                                                 
CONECT   22   17                                                      
CONECT   23   18                                                      
CONECT   24   19   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   30                                                      
CONECT   34    1   35                                                 
CONECT   35   34   36   40                                            
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   35   41                                            
CONECT   41   40   42                                                 
CONECT   42   41   43                                                 
CONECT   43   42   44   48                                            
CONECT   44   43   45                                                 
CONECT   45   44   46                                                 
CONECT   46   45   47                                                 
CONECT   47   46   48   49                                            
CONECT   48   47   43                                                 
CONECT   49   47   50   54                                            
CONECT   50   49   51                                                 
CONECT   51   50   52                                                 
CONECT   52   51   53                                                 
CONECT   53   52   54                                                 
CONECT   54   53   49   55                                            
CONECT   55   54   56                                                 
CONECT   56   55                                                      
CONECT   57   16   58                                                 
CONECT   58   57   59                                                 
CONECT   59   58   60   62                                            
CONECT   60   59   61                                                 
CONECT   61   60   16                                                 
CONECT   62   59                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
M  END

$$$$
D0M6PB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.476   0.943   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.476   0.118   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.762  -0.294   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.047   0.118   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.047   0.943   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.762   1.355   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.333  -0.294   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.247  -1.115   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.440  -1.286   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.027  -0.572   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.579   0.041   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.860  -1.667   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.644  -1.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.257  -1.964   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.086  -2.771   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.301  -3.026   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.688  -2.474   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -3.699  -3.323   0.000  1.00  0.00          Cl  
HETATM   19  C   UNL     1       0.793  -0.486   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       1.278  -1.153   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1       1.129   0.268   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       1.949   0.354   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.285   1.108   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.800   1.775   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.980   1.689   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.644   0.935   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.387   2.490   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       1.800   3.204   0.000  1.00  0.00           N  
HETATM   29  O   UNL     1       0.562   2.490   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       2.597   1.989   0.000  1.00  0.00           C  
HETATM   31 CL   UNL     1      -4.191   1.355   0.000  1.00  0.00          Cl  
HETATM   32 CL   UNL     1      -0.903  -2.729   0.000  1.00  0.00          Cl  
HETATM   33  C   UNL     1      -0.408   0.848   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.122   1.261   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.122   2.086   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.837   2.498   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.180   1.405   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       3.977   1.619   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       4.191   2.416   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       3.607   2.999   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       2.811   2.786   0.000  1.00  0.00           C  
HETATM   42  O   UNL     1      -1.837   3.323   0.000  1.00  0.00           O  
CONECT    1    2    6   31                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   19                                            
CONECT   11   10    7   33                                            
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   32                                            
CONECT   18   15                                                      
CONECT   19   10   20   21                                            
CONECT   20   19                                                      
CONECT   21   19   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27   30                                       
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   24   28   29                                            
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   24   37   41                                            
CONECT   31    1                                                      
CONECT   32   17                                                      
CONECT   33   11   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   42                                                 
CONECT   37   30   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41                                                 
CONECT   41   40   30                                                 
CONECT   42   36                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D0M6PI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.043  -0.885   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.830  -1.682   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.033  -1.896   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.450  -1.312   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.663  -0.515   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.460  -0.302   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.626  -1.355   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.330  -0.585   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.971  -0.066   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.533  -0.372   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.050  -0.955   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.847  -0.742   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1      -0.320   0.425   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.488  -1.261   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       2.180  -0.811   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.967  -0.014   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.143   0.029   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.847  -1.780   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.143  -2.550   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.967  -2.507   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.180  -1.710   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.486   0.627   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.301   0.498   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.820   1.139   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.524   1.909   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.709   2.038   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.190   1.397   0.000  1.00  0.00           C  
HETATM   28 CL   UNL     1       4.043   2.550   0.000  1.00  0.00          Cl  
HETATM   29  O   UNL     1       0.693   0.721   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11   14   17                                            
CONECT   13   10                                                      
CONECT   14   12   15   18   21                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   22                                            
CONECT   17   16   12   29                                            
CONECT   18   14   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   14                                                 
CONECT   22   16   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   25                                                      
CONECT   29   17                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0M6WW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072   1.444   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.357  -0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.357  -1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.072  -1.444   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.786  -1.031   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.072   0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.072  -1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.215   0.206   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.930  -0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.644   0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.359  -0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.359  -1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.644  -1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.930  -1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.215  -1.444   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.073  -1.444   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -6.787  -1.031   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -7.502  -1.444   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.216  -1.031   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1      -8.931  -1.444   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       1.072   1.031   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.501   0.206   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       3.215  -0.206   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       3.930   0.206   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.644  -0.206   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       5.359   0.206   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       5.359   1.031   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.644   1.444   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.930   1.031   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.215   1.444   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       6.073   1.444   0.000  1.00  0.00           C  
HETATM   39  N   UNL     1       6.787   1.031   0.000  1.00  0.00           N  
HETATM   40  C   UNL     1       7.502   1.444   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       8.216   1.031   0.000  1.00  0.00           C  
HETATM   42  O   UNL     1       8.931   1.444   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   14                                            
CONECT    3    2    4   13                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   29                                            
CONECT   12   11    7   28                                            
CONECT   13    3                                                      
CONECT   14    2   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   16   22                                            
CONECT   22   21                                                      
CONECT   23   19   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26                                                      
CONECT   28   12                                                      
CONECT   29   11   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   38                                            
CONECT   35   34   36                                                 
CONECT   36   35   31   37                                            
CONECT   37   36                                                      
CONECT   38   34   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41                                                 
CONECT   41   40   42                                                 
CONECT   42   41                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D0M7GG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.940  -1.189   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.115  -1.189   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.702  -0.474   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.115   0.240   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.940   0.240   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.352  -0.474   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -1.702   0.955   0.000  1.00  0.00           F  
HETATM    8  F   UNL     1      -1.702  -1.903   0.000  1.00  0.00           F  
HETATM    9  N   UNL     1      -0.877  -0.474   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -0.392  -1.142   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.392  -0.887   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.392  -0.062   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.392   0.193   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.877   0.606   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.392   1.273   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.392   1.018   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.702   0.606   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.290   1.320   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       0.706   1.903   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       2.115  -0.109   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.940  -0.109   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.352   0.606   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.940   1.320   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.115   1.320   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.702  -0.823   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1       3.352  -0.823   0.000  1.00  0.00           F  
HETATM   27  N   UNL     1       2.002   1.733   0.000  1.00  0.00           N  
HETATM   28  O   UNL     1       2.716   1.321   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4                                                      
CONECT    8    2                                                      
CONECT    9    3   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    9   16                                            
CONECT   14   12   15   17   18                                       
CONECT   15   14   16                                                 
CONECT   16   15   13                                                 
CONECT   17   14   20   24                                            
CONECT   18   14   19   27                                            
CONECT   19   18                                                      
CONECT   20   17   21   25                                            
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   17                                                 
CONECT   25   20                                                      
CONECT   26   21                                                      
CONECT   27   18   28                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END

$$$$

$$$$

$$$$
D0M7WS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.214  -0.001   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.214  -0.826   0.000  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.499  -1.239   0.000  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.785  -0.826   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.785  -0.001   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.499   0.411   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.499   1.236   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1      -1.071  -1.239   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -3.928  -1.239   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.071   0.411   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.356  -0.001   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.071   1.236   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.358   0.411   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.073  -0.001   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.073  -0.826   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.787  -1.239   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.502  -0.826   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.502  -0.001   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.787   0.411   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       3.216  -1.239   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1       3.214   0.414   0.000  1.00  0.00           N1+
HETATM   22  O   UNL     1       3.214   1.239   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       3.928   0.001   0.000  1.00  0.00           O1-
CONECT    1    2    6                                                 
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    4                                                      
CONECT    9    2                                                      
CONECT   10    5   11   12                                            
CONECT   11   10   13                                                 
CONECT   12   10                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19   21                                            
CONECT   19   18   14                                                 
CONECT   20   17                                                      
CONECT   21   18   22   23                                            
CONECT   22   21                                                      
CONECT   23   21                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0M7XL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.300  -0.357   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.888  -1.072   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.062  -1.072   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.650  -0.357   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.062   0.357   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.888   0.357   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.825  -0.357   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.412   0.357   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.412  -1.072   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.412  -1.072   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.825  -1.786   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.650  -1.786   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.062  -1.072   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.650  -0.357   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.825  -0.357   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.888  -1.072   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.300  -1.786   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       3.300  -0.357   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       2.888   0.357   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       0.412   0.357   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.825   1.072   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.412   1.786   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.412   1.786   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.825   1.072   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   20   24                                            
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18                                                      
CONECT   20    8   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23    8                                                 
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0M8AA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -1.238   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -1.650   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072  -0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   0.000   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.357  -1.650   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.357  -1.238   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.357  -0.412   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.357   0.000   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.786   0.825   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.215   0.000   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.930  -0.412   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.786   1.650   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1      -0.357   0.825   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.072   0.000   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.786  -0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.786  -1.238   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.501  -1.650   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.215  -1.238   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.215  -0.412   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.501   0.000   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       2.501   0.825   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       3.930  -1.650   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.072  -1.650   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   16                                            
CONECT   10    9    5   15                                            
CONECT   11    6   14                                                 
CONECT   12    1   13                                                 
CONECT   13   12                                                      
CONECT   14   11                                                      
CONECT   15   10                                                      
CONECT   16    9   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19   25                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   17   23                                            
CONECT   23   22                                                      
CONECT   24   20                                                      
CONECT   25   18                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0M8IR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.698   0.770   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.286   0.055   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.461   0.055   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.048   0.770   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.461   1.484   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.286   1.484   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.223   0.770   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.398   0.770   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.427   0.770   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.839   0.055   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.664   0.055   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.077   0.770   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.664   1.484   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.839   1.484   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.077  -0.659   0.000  1.00  0.00           C  
HETATM   16  S   UNL     1       2.902  -0.659   0.000  1.00  0.00           S  
HETATM   17  C   UNL     1       3.314   0.055   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.902   0.770   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.698  -0.659   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       3.698  -0.873   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1       2.902  -1.484   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   19                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13   18                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17   20   21                                       
CONECT   17   16   18                                                 
CONECT   18   17   12                                                 
CONECT   19    2                                                      
CONECT   20   16                                                      
CONECT   21   16                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0M8KB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786  -1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.786   0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.501   0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.501  -0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.786   1.650   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.501   2.062   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.072   2.062   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.357   1.650   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.357   2.062   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.072   1.650   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.786   2.062   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.786   2.888   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.072   3.300   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.357   2.888   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1       2.501   3.300   0.000  1.00  0.00          Cl  
HETATM   19  H   UNL     1      -2.501   1.238   0.000  1.00  0.00           H  
HETATM   20  H   UNL     1      -2.501  -1.238   0.000  1.00  0.00           H  
HETATM   21  C   UNL     1      -2.501  -2.062   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.501  -2.888   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.786  -3.300   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.072  -2.888   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.072  -2.062   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.357  -3.300   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.357  -2.888   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.357  -2.062   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.357  -1.650   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1       1.072  -1.650   0.000  1.00  0.00           F  
HETATM   31  O   UNL     1      -0.357   0.825   0.000  1.00  0.00           O  
CONECT    1    2   21   25                                            
CONECT    2    1    3    7   20                                       
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8   19                                       
CONECT    6    5    7                                                 
CONECT    7    6    2                                                 
CONECT    8    5    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12   31                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15                                                      
CONECT   19    5                                                      
CONECT   20    2                                                      
CONECT   21    1   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24    1   29                                            
CONECT   26   24   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28   25                                                 
CONECT   30   28                                                      
CONECT   31   11                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0M8KC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.025  -0.976   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.200  -0.976   0.000  1.00  0.00           C  
HETATM    3  O   UNL     1      -1.715  -1.643   0.000  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.930  -1.389   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.930  -0.564   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.715  -0.308   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.437  -0.262   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.262  -0.262   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.675  -0.976   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.262  -1.690   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.437  -1.690   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -5.500  -0.976   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1      -0.216  -1.801   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.499  -1.389   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.499  -0.564   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.216  -0.151   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.213  -0.151   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.927  -0.564   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.642  -0.151   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.642   0.674   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.927   1.087   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.213   0.674   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       3.357  -0.564   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       4.071  -0.151   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.071   0.674   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       3.357   1.087   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       4.785   1.087   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       5.500   0.674   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       5.198   1.801   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.373   1.801   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -0.216   0.674   0.000  1.00  0.00           O  
CONECT    1    2    7   11                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    6   16                                            
CONECT    6    5    2                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11                                                 
CONECT   11   10    1                                                 
CONECT   12    9                                                      
CONECT   13    4   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15    5   31                                            
CONECT   17   15   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21   26                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   19   24                                                 
CONECT   24   23                                                      
CONECT   25   26   27                                                 
CONECT   26   25   20                                                 
CONECT   27   25   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
CONECT   31   16                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0M8OV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.937   0.665   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.112   0.665   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.699   1.380   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.112   2.094   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.937   2.094   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.349   1.380   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.874   1.380   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.389   0.712   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.605   0.967   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.605   1.792   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.389   2.047   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.644  -0.072   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.063   2.277   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.817   1.941   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.903   1.121   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.657   0.785   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.324   1.270   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.238   2.091   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.484   2.426   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.451  -0.244   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.706  -1.029   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.154  -1.642   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.347  -1.470   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.092  -0.686   0.000  1.00  0.00           C  
HETATM   25 BR   UNL     1      -2.409  -2.426   0.000  1.00  0.00          Br  
HETATM   26  N   UNL     1       3.112   1.105   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       3.524   0.391   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.999   0.391   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.587   1.105   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.762   1.105   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.349   0.391   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.762  -0.324   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       5.587  -0.324   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       3.112  -0.324   0.000  1.00  0.00           O  
HETATM   35  S   UNL     1      -5.174   1.381   0.000  1.00  0.00           S  
HETATM   36  O   UNL     1      -5.174   0.556   0.000  1.00  0.00           O  
HETATM   37  O   UNL     1      -5.999   1.381   0.000  1.00  0.00           O  
HETATM   38  N   UNL     1      -5.174   2.206   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   35                                            
CONECT    7    3    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10    7                                                 
CONECT   12    8   20   24                                            
CONECT   13   10   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   26                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   12   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   12                                                 
CONECT   25   22                                                      
CONECT   26   17   27                                                 
CONECT   27   26   31   34                                            
CONECT   28   33   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   27                                            
CONECT   32   31   33                                                 
CONECT   33   28   32                                                 
CONECT   34   27                                                      
CONECT   35    6   36   37   38                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0M8UO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.944   0.174   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.944  -0.651   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.230  -1.064   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.515  -0.651   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.515   0.174   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.230   0.586   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -3.230  -1.889   0.000  1.00  0.00           F  
HETATM    8  C   UNL     1      -1.801   0.586   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.086   0.174   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.801   1.411   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.086   1.824   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.372   1.411   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       0.343   1.824   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.343   2.649   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.372   3.061   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.086   2.649   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.127   1.569   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.612   2.236   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.127   2.904   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.382   0.784   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.830   0.171   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.085  -0.613   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.892  -0.785   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.444  -0.172   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.189   0.613   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.147  -1.569   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       2.954  -1.741   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.209  -2.526   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       3.944  -2.900   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       2.582  -3.061   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    3                                                      
CONECT    8    5    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   13   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28                                                      
CONECT   30   28                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0M8VS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.317   0.249   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.602  -0.164   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.112   0.249   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.827  -0.164   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       1.541   0.249   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       0.112   1.074   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.403   1.069   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.210   1.241   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.623   0.526   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.071  -0.087   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.851   1.683   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.106   2.467   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.913   2.639   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.465   2.026   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.429   0.355   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.684  -0.430   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.132  -1.043   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.325  -0.871   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.256  -0.164   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.970   0.249   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.970   1.074   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.256   1.486   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.541   1.074   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.684   1.486   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.256  -0.989   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.541  -1.401   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.541  -2.226   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.256  -2.639   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.970  -2.226   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.970  -1.401   0.000  1.00  0.00           C  
CONECT    1    2    7   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4   19   23                                            
CONECT    6    3                                                      
CONECT    7    1    8   11                                            
CONECT    8    7    9   14                                            
CONECT    9    8   10   15                                            
CONECT   10    9    1   18                                            
CONECT   11    7   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    8                                                 
CONECT   15    9   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   10                                                 
CONECT   19    5   20   25                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22    5                                                 
CONECT   24   21                                                      
CONECT   25   19   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END

$$$$

$$$$

$$$$
D0M8YW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.123  -1.348   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.123  -2.173   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.409  -2.586   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.694  -2.173   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.694  -1.348   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.409  -0.936   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.020  -2.586   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.735  -2.173   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.409  -0.111   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.741   0.374   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.996   1.159   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.821   1.159   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.076   0.374   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.306   1.826   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.861   0.119   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1      -2.791   2.494   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.488  -2.509   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.040  -1.896   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1       1.628  -1.181   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       0.821  -1.353   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.861  -1.982   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.447   1.894   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.896   2.586   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    9                                            
CONECT    7    4    8                                                 
CONECT    8    7   17   20                                            
CONECT    9    6   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14   22                                       
CONECT   13   12    9   15                                            
CONECT   14   12   16                                                 
CONECT   15   13                                                      
CONECT   16   14                                                      
CONECT   17    8   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19    8                                                 
CONECT   21   18                                                      
CONECT   22   12   23                                                 
CONECT   23   22                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0M9BY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.379   0.155   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.379  -0.670   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.665  -1.082   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.950  -0.670   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.950   0.155   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.665   0.568   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.166  -0.925   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.681  -0.257   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.166   0.410   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.911   1.195   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.463   1.808   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1      -0.104   1.366   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.151   2.151   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.958   2.322   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.510   1.709   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.317   1.881   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       2.572   2.666   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.020   3.279   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.213   3.107   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.379   2.837   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.661   3.720   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       1.255   0.925   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       0.144  -0.257   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.911  -1.709   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.463  -2.322   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.104  -1.881   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.270  -2.151   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.822  -2.764   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.567  -3.549   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -1.760  -3.720   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.208  -3.107   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   24                                            
CONECT    8    7    9   23                                            
CONECT    9    8    5   10                                            
CONECT   10    9   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16   22                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14   21                                            
CONECT   20   17                                                      
CONECT   21   19                                                      
CONECT   22   15                                                      
CONECT   23    8                                                      
CONECT   24    7   25   26                                            
CONECT   25   24   27   31                                            
CONECT   26   24                                                      
CONECT   27   25   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   25                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0M9FZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.918   1.564   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.918   0.739   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.204   0.327   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.489   0.739   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.489   1.564   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.204   1.977   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.775   0.327   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.689  -0.494   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1       0.118  -0.665   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.531   0.049   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.021   0.662   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.302  -1.046   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.086  -0.791   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.699  -1.343   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.528  -2.150   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.743  -2.405   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.130  -1.853   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.351   0.136   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.836  -0.532   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       1.687   0.889   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.507   0.975   0.000  1.00  0.00           C  
HETATM   22 CL   UNL     1      -3.633   1.977   0.000  1.00  0.00          Cl  
HETATM   23 CL   UNL     1      -0.345  -2.108   0.000  1.00  0.00          Cl  
HETATM   24  O   UNL     1       0.150   1.469   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.433   2.053   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.918   1.690   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       2.204   2.103   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       3.331   2.405   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1       3.633   1.278   0.000  1.00  0.00           F  
CONECT    1    2    6   22                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   18                                            
CONECT   11   10    7   24                                            
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   23                                            
CONECT   18   10   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   21                                                 
CONECT   21   20   26                                                 
CONECT   22    1                                                      
CONECT   23   17                                                      
CONECT   24   11   25                                                 
CONECT   25   24                                                      
CONECT   26   21   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0M9JE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.302  -1.702   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.302  -2.527   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.413  -2.940   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.127  -2.527   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.127  -1.702   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.413  -1.290   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.842  -1.290   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.556  -1.702   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.556  -2.527   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.271  -2.940   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       3.985  -2.527   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       3.985  -1.702   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.271  -1.290   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.086  -1.447   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.571  -2.115   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.086  -2.782   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.396  -2.115   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.881  -1.447   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.666  -1.702   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.666  -2.527   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1      -2.881  -2.782   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1      -2.626  -0.663   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.178  -0.050   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.985  -0.221   0.000  1.00  0.00           O  
HETATM   25  N   UNL     1      -2.923   0.735   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.475   1.348   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.220   2.133   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.607   2.685   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.392   2.940   0.000  1.00  0.00           C  
CONECT    1    2    6   14                                            
CONECT    2    1    3   16                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    1   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15    2                                                 
CONECT   17   15   18   21                                            
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   17                                                 
CONECT   22   18   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23                                                      
CONECT   25   23   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   29                                                 
CONECT   29   28   27                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0M9JM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.310   0.861   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.097   0.064   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.273   0.020   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.023   0.791   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.618   1.310   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.618   2.135   0.000  1.00  0.00           O  
HETATM    7  O   UNL     1      -2.025   1.273   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.608   0.690   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.405   0.903   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.988   0.320   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.775  -0.477   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.978  -0.691   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.395  -0.107   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.358  -1.060   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.155  -0.847   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.738  -1.430   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.525  -2.227   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.728  -2.441   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.145  -1.857   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.737   1.203   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.452   0.791   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.166   1.203   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.166   2.028   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.452   2.441   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.737   2.028   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.881   2.441   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       2.881   0.791   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.595   2.028   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.310   2.441   0.000  1.00  0.00           C  
HETATM   30  S   UNL     1       5.024   2.028   0.000  1.00  0.00           S  
HETATM   31  C   UNL     1       5.738   2.441   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       4.441   1.445   0.000  1.00  0.00           O  
HETATM   33  O   UNL     1       5.738   1.616   0.000  1.00  0.00           O  
CONECT    1    2    5    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   20                                            
CONECT    5    4    1    6                                            
CONECT    6    5                                                      
CONECT    7    1    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20    4   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23   28                                                 
CONECT   27   22                                                      
CONECT   28   26   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0M9KZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.215   0.024   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.429  -0.772   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.845  -1.356   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.048  -1.142   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.835  -0.345   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.418   0.238   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.038  -0.132   0.000  1.00  0.00           C  
HETATM    8  S   UNL     1      -1.397  -0.651   0.000  1.00  0.00           S  
HETATM    9  C   UNL     1      -0.705  -0.202   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.918   0.595   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.742   0.638   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.065  -0.497   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.707   0.022   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.477  -0.274   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.118   0.245   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.989   1.060   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.219   1.356   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.577   0.837   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.888  -0.050   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.017  -0.865   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.787  -1.161   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.429  -0.642   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       4.299   0.173   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       3.529   0.469   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11                                                 
CONECT   11   10    7                                                 
CONECT   12    9   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   15   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0M9LM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.452  -1.391   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.212  -1.880   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.968  -1.549   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       1.059  -0.730   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.395  -0.240   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.361  -0.571   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.815  -0.399   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.028  -1.669   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.682  -1.167   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.362  -1.634   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -5.128  -2.425   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.303  -2.447   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.747  -0.344   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.492   0.011   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.172  -0.457   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.107  -1.279   0.000  1.00  0.00           C  
HETATM   17  H   UNL     1      -5.521  -3.150   0.000  1.00  0.00           H  
HETATM   18  C   UNL     1       2.479  -0.888   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.235  -0.557   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.327   0.263   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.662   0.752   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.906   0.421   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       4.041   0.675   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       4.755   0.263   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.470   0.675   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       5.470   1.500   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.755   1.913   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.041   1.500   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       6.184   1.913   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       6.184   2.738   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.470   3.150   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.755   2.738   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       3.327   1.913   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1      -1.208  -1.722   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.923  -1.309   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.637  -1.722   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.352  -1.309   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.504   0.825   0.000  1.00  0.00           C  
HETATM   39  N   UNL     1      -6.184   0.825   0.000  1.00  0.00           N  
CONECT    1    2    6   34                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4   18   22                                            
CONECT    8    9   12   37                                            
CONECT    9    8   10   13                                            
CONECT   10    9   11   16                                            
CONECT   11   10   12   17                                            
CONECT   12   11    8                                                 
CONECT   13    9   14                                                 
CONECT   14   13   15   38                                            
CONECT   15   14   16                                                 
CONECT   16   15   10                                                 
CONECT   17   11                                                      
CONECT   18    7   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21    7                                                 
CONECT   23   20   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28   32                                            
CONECT   28   27   23   33                                            
CONECT   29   26   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   28                                                      
CONECT   34    1   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36    8                                                 
CONECT   38   39   14                                                 
CONECT   39   38                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0M9TG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.449   1.908   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.449   1.083   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.735   0.671   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.020   1.083   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.020   1.908   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.735   2.321   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.306   0.671   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.591   1.083   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -1.591   1.908   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.306   2.321   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.306   3.146   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -2.306  -0.154   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.591  -0.567   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.591  -1.392   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.877  -1.804   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.162  -1.392   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.162  -0.567   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.877  -0.154   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.552  -0.154   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1       0.552  -1.804   0.000  1.00  0.00           F  
HETATM   21  N   UNL     1       1.267  -0.567   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1       0.552   0.671   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.267  -1.392   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.981  -1.804   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.696  -1.392   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       2.696  -0.567   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.981  -0.154   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.480  -1.647   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       3.965  -0.979   0.000  1.00  0.00           N  
HETATM   30  N   UNL     1       3.480  -0.312   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       3.735  -2.431   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1       4.449  -2.019   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       4.147  -3.146   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       3.020  -2.844   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    7   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18   19                                            
CONECT   18   17   13                                                 
CONECT   19   17   21   22                                            
CONECT   20   16                                                      
CONECT   21   19   23   27                                            
CONECT   22   19                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27   30                                            
CONECT   27   26   21                                                 
CONECT   28   25   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   26                                                 
CONECT   31   28   32   33   34                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0M9TR
  -OEChem-09301911182D

 45 46  0     0  0  0  0  0  0999 V2000
    2.0000   -2.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297   -0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267   -0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.8574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3503   -0.4769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9703    0.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -3.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -2.3323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 43  1  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  2 33  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 34  1  0  0  0  0
  4 11  2  0  0  0  0
  4 14  1  0  0  0  0
  5 14  2  0  0  0  0
  5 18  1  0  0  0  0
  6 17  1  0  0  0  0
  6 21  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 15  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 12  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 19  2  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 20 22  2  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
M  END

$$$$
D0M9YZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.715  -1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.715  -2.269   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.000  -2.681   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.286  -2.269   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.286  -1.444   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -5.000  -1.031   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -5.000  -0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.286   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.286   1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.000   1.444   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.715   1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.715   0.206   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -5.000   2.269   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.286   2.681   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.571   2.269   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.857   2.681   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.857   3.506   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.571   3.919   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.286   3.506   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.142   2.269   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.428   2.681   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.428   3.506   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.142   3.919   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.142   4.744   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.713   3.919   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.001   3.506   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.716   3.919   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.716   4.744   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.001   5.156   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.713   4.744   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       1.430   3.506   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       2.145   3.919   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.859   3.506   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       2.145   4.744   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       2.859   2.681   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.574   2.269   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.288   2.681   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       4.288   3.506   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       3.574   3.919   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.000  -3.506   0.000  1.00  0.00           C  
HETATM   41  N   UNL     1      -4.286  -3.919   0.000  1.00  0.00           N  
HETATM   42  O   UNL     1      -5.715  -3.919   0.000  1.00  0.00           O  
HETATM   43  C   UNL     1      -4.286  -4.744   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.571  -5.156   0.000  1.00  0.00           C  
HETATM   45  N   UNL     1      -2.857  -4.744   0.000  1.00  0.00           N  
HETATM   46  C   UNL     1      -2.857  -3.919   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.571  -3.506   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1      -1.428   5.156   0.000  1.00  0.00           C  
HETATM   49  C   UNL     1       5.000   3.919   0.000  1.00  0.00           C  
HETATM   50  F   UNL     1       4.588   4.633   0.000  1.00  0.00           F  
HETATM   51  F   UNL     1       5.715   4.331   0.000  1.00  0.00           F  
HETATM   52  F   UNL     1       5.413   3.204   0.000  1.00  0.00           F  
HETATM   53  C   UNL     1      -2.144  -5.156   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   40                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18   23                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   16   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   17   24                                            
CONECT   24   23                                                      
CONECT   25   22   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25   48                                            
CONECT   31   27   32                                                 
CONECT   32   31   33   34                                            
CONECT   33   32   35   39                                            
CONECT   34   32                                                      
CONECT   35   33   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39   49                                            
CONECT   39   38   33                                                 
CONECT   40    3   41   42                                            
CONECT   41   40   43   47                                            
CONECT   42   40                                                      
CONECT   43   41   44                                                 
CONECT   44   43   45                                                 
CONECT   45   44   46   53                                            
CONECT   46   45   47                                                 
CONECT   47   46   41                                                 
CONECT   48   30                                                      
CONECT   49   38   50   51   52                                       
CONECT   50   49                                                      
CONECT   51   49                                                      
CONECT   52   49                                                      
CONECT   53   45                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
M  END

$$$$
D0M9ZW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786  -1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786  -2.269   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072  -2.681   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357  -2.269   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357  -1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072  -1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.357  -2.681   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.072  -2.269   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.072  -1.444   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.357  -1.031   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.501  -2.681   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.786  -1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.357  -0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.072   0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.072   1.031   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       1.786   1.444   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.786   2.269   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.072   2.681   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.357   2.269   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.357   1.444   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       2.501   2.681   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9    5   13                                            
CONECT   11    2                                                      
CONECT   12    9                                                      
CONECT   13   10   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   17                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0MA2H
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.715   1.115   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.715   0.290   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.000  -0.123   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.286   0.290   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.286   1.115   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.000   1.527   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.571  -0.123   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.857   0.290   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.142  -0.123   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.428   0.290   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -2.142  -0.948   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.713  -0.123   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.001   0.290   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.716  -0.123   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       0.001   1.115   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.430   0.290   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.713  -0.948   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.001  -1.360   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       0.087  -2.181   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       0.894  -2.352   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.307  -1.638   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.755  -1.025   0.000  1.00  0.00           C  
HETATM   23 BR   UNL     1       2.127  -1.552   0.000  1.00  0.00          Br  
HETATM   24  C   UNL     1       2.145  -0.123   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.859   0.290   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.859   1.115   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.145   1.527   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.430   1.115   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.574   1.527   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       4.288   1.115   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       3.574   2.352   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       5.715   1.115   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       5.000   1.527   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   12                                                 
CONECT   11    9                                                      
CONECT   12   10   13   17                                            
CONECT   13   12   14   15                                            
CONECT   14   13   16                                                 
CONECT   15   13                                                      
CONECT   16   14   24   28                                            
CONECT   17   12   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   18                                                 
CONECT   23   21                                                      
CONECT   24   16   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   16                                                 
CONECT   29   26   30   31                                            
CONECT   30   29   33                                                 
CONECT   31   29                                                      
CONECT   32   33                                                      
CONECT   33   30   32                                                 
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0MA2R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.520   2.385   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.520   1.560   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.735   1.305   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.250   1.973   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.735   2.640   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.133   1.008   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.962   0.201   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.177  -0.054   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.564   0.498   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.918   1.263   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.531   0.711   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.359  -0.096   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.575  -0.351   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.005  -0.861   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.221  -1.116   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.049  -1.922   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.735  -2.177   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.348  -1.625   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.177  -0.818   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.392  -0.563   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.133  -1.880   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       2.305  -2.687   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1       2.746  -1.328   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       3.531  -1.583   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.575   1.973   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.987   1.258   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.812   1.258   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.225   1.973   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.812   2.687   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.987   2.687   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       3.050   1.973   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       3.462   2.687   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5   25                                            
CONECT    5    4    1                                                 
CONECT    6    2    7   10                                            
CONECT    7    6    8   13                                            
CONECT    8    7    9   14                                            
CONECT    9    8    3                                                 
CONECT   10    6   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    7                                                 
CONECT   14    8   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22   23                                            
CONECT   22   21                                                      
CONECT   23   21   24                                                 
CONECT   24   23                                                      
CONECT   25    4   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   28   32                                                 
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0MA6I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.607  -1.017   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.607  -1.842   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.893  -2.255   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.178  -1.842   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.178  -1.017   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.893  -0.605   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.464  -2.255   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.250  -1.842   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.250  -1.017   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.464  -0.605   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.322  -0.605   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.322   0.220   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.036   0.633   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.751   0.220   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.751  -0.605   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.036  -1.017   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.464   0.220   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.250   0.633   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.965   0.220   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.679   0.633   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.679   1.458   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.965   1.870   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.250   1.458   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.394   0.220   0.000  1.00  0.00           N  
HETATM   25  F   UNL     1      -2.607   0.633   0.000  1.00  0.00           F  
HETATM   26  F   UNL     1      -0.464   1.870   0.000  1.00  0.00           F  
HETATM   27  S   UNL     1       3.108   0.633   0.000  1.00  0.00           S  
HETATM   28  O   UNL     1       3.823   0.220   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1       3.108   1.458   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       3.823   1.045   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.036   1.842   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.751   2.255   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1       0.965  -0.605   0.000  1.00  0.00           F  
CONECT    1    2    6   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   17                                            
CONECT   11    1   12   16                                            
CONECT   12   11   13   25                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   10   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20   33                                            
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18   26                                            
CONECT   24   20   27                                                 
CONECT   25   12                                                      
CONECT   26   23                                                      
CONECT   27   24   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31                                                      
CONECT   33   19                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0MA7A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786   1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501   1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786  -1.444   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.072  -1.031   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.072  -0.206   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.357   0.206   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       0.357  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.072   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.501   0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.501   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.786   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.072   1.031   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       3.215  -0.206   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.215   1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.215   0.206   0.000  1.00  0.00           C  
CONECT    1    2    5   19                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3   18                                                 
CONECT    5    1    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    2    9                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   13                                                      
CONECT   18    4   19                                                 
CONECT   19   18    1                                                 
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D0MA8T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.430   0.291   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.430  -0.534   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.716  -0.947   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.001  -0.534   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.001   0.291   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.716   0.703   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.287  -0.947   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.572  -0.534   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -5.716   1.528   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.858  -0.947   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.143  -0.534   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.429  -0.947   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.715  -0.534   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.000  -0.947   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.715  -0.534   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.429  -0.947   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.143  -0.534   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.858  -0.947   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.572  -0.534   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.287  -0.947   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       5.001  -0.534   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       5.716  -0.947   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       6.430  -0.534   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.289   0.703   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.134  -1.528   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.300  -1.528   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   25   26                                       
CONECT    4    3    5    7                                            
CONECT    5    4    6   24                                            
CONECT    6    5    1    9                                            
CONECT    7    4    8                                                 
CONECT    8    7   10                                                 
CONECT    9    6                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22                                                      
CONECT   24    5                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0MA9U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.854   1.903   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.854   1.078   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.139   0.665   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.425   1.078   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.425   1.903   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.139   2.316   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.640   0.823   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.155   1.490   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.640   2.158   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.670   1.490   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.082   0.776   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.907   0.776   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.320   1.490   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.907   2.205   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.082   2.205   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.385   0.038   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.937  -0.575   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.682  -1.359   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.125  -1.531   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.677  -0.918   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1       0.422  -0.133   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1       0.380  -2.316   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.474  -1.131   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.057  -0.548   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.854  -0.761   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       1.843   0.249   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   16                                            
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    7   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21   23                                            
CONECT   21   20   16                                                 
CONECT   22   19                                                      
CONECT   23   20   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24                                                      
CONECT   26   24                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0MB0V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.681  -1.072   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.856  -1.072   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.444  -0.357   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.856   0.357   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.681   0.357   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.094  -0.357   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.619  -0.357   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.206   0.357   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.619   1.072   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.444   1.072   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.619   0.357   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.444   0.357   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.269   0.357   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.681  -0.357   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       3.506  -0.357   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       3.919   0.357   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.506   1.072   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.681   1.072   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.094   1.072   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.919   1.072   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6   19                                            
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    8   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19    5   20                                                 
CONECT   20   19                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0MC3J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.434   0.410   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.434  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.146  -0.824   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858   0.410   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.146   0.821   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.570  -0.824   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.282  -0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.282   0.410   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.570   0.821   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.157   1.535   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.982  -1.538   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.982   1.535   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.157  -1.538   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.719  -0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.005  -0.412   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.710  -0.825   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.424  -0.412   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.005   0.412   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       2.139  -0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.853  -0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.853   0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.139   0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.424   0.412   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.567   0.825   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       4.282   0.412   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1       3.567   1.650   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.719  -1.650   0.000  1.00  0.00           O  
HETATM   29  F   UNL     1       0.710   0.825   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   15                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12   14                                       
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   11   13                                       
CONECT   11   10                                                      
CONECT   12    7                                                      
CONECT   13   10                                                      
CONECT   14    7                                                      
CONECT   15    2   16   28                                            
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   20   24                                            
CONECT   19   16                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   18   29                                            
CONECT   25   22   26   27                                            
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   15                                                      
CONECT   29   24                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0MD6P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.746   1.797   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.746   0.972   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.032   0.560   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.317   0.972   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.317   1.797   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.032   2.210   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.603   2.210   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.888   1.797   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1      -0.174   2.210   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1       0.541   1.797   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.627   0.977   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1       1.434   0.805   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.847   1.520   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.294   2.133   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       2.667   1.606   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.770   0.051   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.285  -0.616   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.620  -1.370   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.441  -1.456   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.926  -0.788   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.590  -0.035   0.000  1.00  0.00           C  
HETATM   22 CL   UNL     1       3.746  -0.875   0.000  1.00  0.00          Cl  
HETATM   23 CL   UNL     1       2.776  -2.210   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14   15                                            
CONECT   14   13   10                                                 
CONECT   15   13                                                      
CONECT   16   12   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21   22                                            
CONECT   21   20   16                                                 
CONECT   22   20                                                      
CONECT   23   19                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0ME5D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.682  -0.547   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.032  -0.135   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.747  -0.547   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.461  -0.135   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.397  -0.135   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       0.032   0.690   0.000  1.00  0.00           O  
HETATM    7  N   UNL     1       2.215  -0.470   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1       2.767   0.143   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.354   0.857   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.548   0.686   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.441   1.678   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.386  -1.277   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.483   0.686   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.290   0.857   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.702   0.143   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.150  -0.470   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.322  -1.277   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.107  -1.532   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.278  -2.339   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.665  -2.891   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.880  -2.636   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.709  -1.829   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.698   1.682   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.413   2.095   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.413   2.920   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.127   3.332   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -1.267  -3.188   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -2.836  -3.698   0.000  1.00  0.00           F  
HETATM   29  C   UNL     1       0.934   1.238   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.155   2.090   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       2.984   2.897   0.000  1.00  0.00           N  
HETATM   32  N   UNL     1       2.163   2.984   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       1.828   2.230   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.751   3.698   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.773  -1.829   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1       1.945  -2.636   0.000  1.00  0.00           N  
HETATM   37  C   UNL     1       2.729  -2.891   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       3.343  -2.339   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       3.171  -1.532   0.000  1.00  0.00           C  
HETATM   40  F   UNL     1       4.127  -2.594   0.000  1.00  0.00           F  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    7   10                                            
CONECT    5    1   13   16                                            
CONECT    6    2                                                      
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    4   29                                            
CONECT   11    9   30   33                                            
CONECT   12    7   35   39                                            
CONECT   13    5   14                                                 
CONECT   14   13   15   23                                            
CONECT   15   14   16                                                 
CONECT   16   15    5   17                                            
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   28                                            
CONECT   21   20   22   27                                            
CONECT   22   21   17                                                 
CONECT   23   14   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25                                                      
CONECT   27   21                                                      
CONECT   28   20                                                      
CONECT   29   10                                                      
CONECT   30   11   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   34                                            
CONECT   33   32   11                                                 
CONECT   34   32                                                      
CONECT   35   12   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39   40                                            
CONECT   39   38   12                                                 
CONECT   40   38                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0MF2V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.762  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.762  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.048  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.333  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.333  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.048  -0.412   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.048   0.412   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.333   0.825   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       0.381   0.412   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.333   1.650   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.381   2.062   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.096   1.650   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.096   0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.810   0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.525   0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.525   1.650   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.810   2.062   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       3.239   2.062   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       3.239   0.412   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1       0.381  -0.412   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1       0.381  -2.062   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.477  -2.062   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.477  -1.238   0.000  1.00  0.00           C  
HETATM   24  H   UNL     1      -2.263  -0.441   0.000  1.00  0.00           H  
HETATM   25  O   UNL     1      -3.239  -1.553   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   22   23                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   21                                            
CONECT    5    4    6   20                                            
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17   18                                            
CONECT   17   16   12                                                 
CONECT   18   16                                                      
CONECT   19   15                                                      
CONECT   20    5                                                      
CONECT   21    4                                                      
CONECT   22    2                                                      
CONECT   23    2   24   25                                            
CONECT   24   23                                                      
CONECT   25   23                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0MF7O
  -OEChem-09301911292D

 57 60  0     1  0  0  0  0  0999 V2000
    2.8950    2.4980    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3984    1.6301    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4041    2.6714    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.4041    1.6714    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4041    1.6714    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381    0.1306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0022    0.1439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8779   -2.3527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0497   -0.9218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2702    0.1373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7381   -0.8494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1458   -2.3594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4041   -1.3286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702    0.1714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    0.6339    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2740   -0.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1420   -1.3594    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3984    1.6339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2625    2.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0061   -0.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1304    1.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1343    0.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7381    0.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6442   -1.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6442    0.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8740   -1.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5381    0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5381   -0.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4041    0.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702   -0.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4041    1.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1362   -1.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2407   -2.3231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2189   -2.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7189   -1.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6630   -0.7574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0642   -1.4462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6801   -1.6673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6592    2.6137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8621    2.6107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4028   -0.3796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6057   -0.3826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7414    1.5353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3402    2.2240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5290    0.7760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1272    0.0862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2505   -1.8422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0488   -1.8330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0488    1.1759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2505    1.1851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6840   -2.6673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6101   -2.6714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7800   -2.7379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4710   -3.0974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3355   -1.6002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 18  1  0  0  0  0
  3 31  1  0  0  0  0
  4 31  1  0  0  0  0
  5 31  1  0  0  0  0
 15  6  1  1  0  0  0
  6 54  1  0  0  0  0
  7 22  2  0  0  0  0
  8 26  2  0  0  0  0
  9 32  1  0  0  0  0
  9 35  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 26  1  0  0  0  0
 17 12  1  6  0  0  0
 12 52  1  0  0  0  0
 12 53  1  0  0  0  0
 13 28  1  0  0  0  0
 13 30  2  0  0  0  0
 14 29  2  0  0  0  0
 14 30  1  0  0  0  0
 15 18  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 20  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 19 21  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 26  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 23 25  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 28  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 27  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 55  1  0  0  0  0
 34 35  2  0  0  0  0
 34 56  1  0  0  0  0
 35 57  1  0  0  0  0
M  END

$$$$
D0MG4D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.418   1.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.418   1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.133   0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.847   1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.847   1.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.133   2.269   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.133  -0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.418  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.418  -1.444   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.133  -1.856   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.847  -1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.847  -0.619   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.704   0.619   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.011   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.725   0.619   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.011   1.856   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.479   0.954   0.000  1.00  0.00           C  
HETATM   18  S   UNL     1      -2.031   0.341   0.000  1.00  0.00           S  
HETATM   19  C   UNL     1      -1.619  -0.373   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.811  -0.202   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.954  -1.127   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.133   3.094   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.761  -1.298   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.847  -2.119   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1      -2.093  -2.454   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.541  -1.841   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.133  -2.681   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       2.847  -3.094   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   22                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   27                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    2   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   17   20                                            
CONECT   16   14                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   15                                                 
CONECT   21   19   23   26                                            
CONECT   22    6                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   10   28                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END

$$$$

$$$$

$$$$
D0MG6V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNK A   0      -1.924  -0.810   0.000  1.00  0.00           C  
HETATM    2  N   UNK A   0      -1.514  -1.526   0.000  1.00  0.00           N  
HETATM    3  O   UNK A   0      -0.707  -1.357   0.000  1.00  0.00           O  
HETATM    4  C   UNK A   0      -0.618  -0.537   0.000  1.00  0.00           C  
HETATM    5  N   UNK A   0      -1.370  -0.199   0.000  1.00  0.00           N  
HETATM    6  C   UNK A   0      -2.744  -0.721   0.000  1.00  0.00           C  
HETATM    7  C   UNK A   0       0.098  -0.127   0.000  1.00  0.00           C  
HETATM    8  N   UNK A   0       0.811  -0.541   0.000  1.00  0.00           N  
HETATM    9  C   UNK A   0       0.101   0.699   0.000  1.00  0.00           C  
HETATM   10  C   UNK A   0       1.527  -0.131   0.000  1.00  0.00           C  
HETATM   11  O   UNK A   0       1.530   0.694   0.000  1.00  0.00           O  
ATOM     12  N   THR A   1       2.240  -0.546   0.000  1.00  0.00           N  
ATOM     13  CA  THR A   1       2.956  -0.136   0.000  1.00  0.00           C  
ATOM     14  CB  THR A   1       2.959   0.689   0.000  1.00  0.00           C  
ATOM     15  CG2 THR A   1       2.245   1.104   0.000  1.00  0.00           C  
ATOM     16  OG1 THR A   1       3.674   1.099   0.000  1.00  0.00           O  
ATOM     17  C   THR A   1       3.669  -0.550   0.000  1.00  0.00           C  
ATOM     18  O   THR A   1       4.385  -0.140   0.000  1.00  0.00           O  
ATOM     19  OXT THR A   1       3.667  -1.375   0.000  1.00  0.00           O  
HETATM   20  C   UNK A   0      -3.078   0.034   0.000  1.00  0.00           C  
HETATM   21  N   UNK A   0      -3.898   0.122   0.000  1.00  0.00           N  
HETATM   22  C   UNK A   0      -4.385  -0.543   0.000  1.00  0.00           C  
HETATM   23  C   UNK A   0      -4.052  -1.298   0.000  1.00  0.00           C  
HETATM   24  N   UNK A   0      -3.232  -1.387   0.000  1.00  0.00           N  
HETATM   25  C   UNK A   0      -0.612   1.113   0.000  1.00  0.00           C  
HETATM   26  C   UNK A   0      -1.327   1.526   0.000  1.00  0.00           C  
CONECT    1    2    5    6                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    1                                                 
CONECT    6    1   20   24                                            
CONECT    7    4    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7   25                                                 
CONECT   10    8   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15   16                                            
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17   13   18   19                                            
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20    6   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23    6                                                 
CONECT   25    9   26                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0MH3Y
  -OEChem-09301911132D

 63 66  0     1  0  0  0  0  0999 V2000
    4.8107   -5.3230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1242   -2.7447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    1.4665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7281    4.9116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7172    4.7025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.8771    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.9459   -4.2400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    0.5154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570    0.5154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -3.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -4.0338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7612   -5.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1737   -3.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    1.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9538    2.2755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5471    3.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483    2.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1349    3.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1294    3.8935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361    2.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7336    5.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7117    4.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3269    5.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2995    5.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751   -3.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684   -4.4473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7227   -2.4871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7227   -1.6576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2156   -0.9584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4272   -0.7007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8486   -5.6262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3809   -5.0329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0863   -2.4415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5540   -3.0348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1386   -4.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3600   -3.7786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.2624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.8824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6828   -5.9297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2520   -2.1380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9305    3.2538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2005    1.6046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1527    2.9152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1320    4.8661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7768    4.3976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5408    4.0020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2689    4.3262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8933    6.1818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0747    6.4961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    5.6775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8011    5.0426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6639    5.9086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7979    5.7715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 49  1  0  0  0  0
  2 17  1  0  0  0  0
  2 50  1  0  0  0  0
  3  9  1  0  0  0  0
  3 23  1  0  0  0  0
  4 27  1  0  0  0  0
  4 30  1  0  0  0  0
  5 28  1  0  0  0  0
  5 31  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  1  0  0  0  0
  7 11  1  0  0  0  0
  7 45  1  0  0  0  0
  7 46  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  2  0  0  0  0
  9 22  2  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 15  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 18  2  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 20  1  0  0  0  0
 18 22  1  0  0  0  0
 19 21  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  2  0  0  0  0
 20 47  1  0  0  0  0
 21 48  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 51  1  0  0  0  0
 26 29  2  0  0  0  0
 26 52  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 53  1  0  0  0  0
 30 32  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
 31 33  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
 32 58  1  0  0  0  0
 32 59  1  0  0  0  0
 32 60  1  0  0  0  0
 33 61  1  0  0  0  0
 33 62  1  0  0  0  0
 33 63  1  0  0  0  0
M  END

$$$$
D0MH4B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.236   0.974   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.522   1.387   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.807   0.974   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.093   1.387   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.378   0.974   0.000  1.00  0.00           N  
HETATM    6  O   UNL     1      -2.093   2.212   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.807   0.149   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.664   1.387   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.664   2.212   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.051   0.974   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       0.051   0.149   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1       0.765   1.387   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.480   0.974   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.051   2.624   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.051   3.449   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.664   3.862   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.378   3.449   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.378   2.624   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.093   1.526   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.757   2.280   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.937   2.194   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.815   0.221   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.636   0.307   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.807   1.114   0.000  1.00  0.00           N  
HETATM   25  H   UNL     1       0.867   0.422   0.000  1.00  0.00           H  
HETATM   26  C   UNL     1       1.403  -0.494   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       0.582  -0.580   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       0.411  -1.387   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.125  -1.799   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.738  -1.247   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.304  -1.799   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.304  -2.624   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       0.411  -3.037   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.125  -2.624   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1       0.411  -3.862   0.000  1.00  0.00           F  
HETATM   36  C   UNL     1       3.522   1.526   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1       4.236   1.114   0.000  1.00  0.00           O  
HETATM   38  O   UNL     1       3.522   2.351   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1       4.236   0.289   0.000  1.00  0.00           C  
HETATM   40  H   UNL     1       2.676   2.110   0.000  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    6                                            
CONECT    5    4    8                                                 
CONECT    6    4                                                      
CONECT    7    3                                                      
CONECT    8    5    9   10                                            
CONECT    9    8   14   18                                            
CONECT   10    8   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   13   21                                            
CONECT   13   12   19   22   25                                       
CONECT   14    9   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17    9                                                 
CONECT   19   13   20   24   40                                       
CONECT   20   19   21                                                 
CONECT   21   20   12                                                 
CONECT   22   13   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   19   36                                            
CONECT   25   13                                                      
CONECT   26   22   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30   34                                            
CONECT   30   29   26                                                 
CONECT   31   28   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   35                                            
CONECT   34   33   29                                                 
CONECT   35   33                                                      
CONECT   36   24   37   38                                            
CONECT   37   36   39                                                 
CONECT   38   36                                                      
CONECT   39   37                                                      
CONECT   40   19                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0MH5C
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.501  -3.300   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.501  -4.125   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -4.537   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -4.125   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072  -3.300   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786  -2.888   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.786  -2.062   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.215  -4.537   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.357  -4.537   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.357  -2.888   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.357  -2.062   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.357  -1.650   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.357  -0.825   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       1.072  -2.062   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.072  -0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.072   0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.357   0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.357   0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.357  -0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.786   0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.072  -0.825   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.072   0.825   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.786   0.412   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.072   1.650   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.357   2.062   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.357   2.888   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.072   3.300   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.786   2.888   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.786   2.062   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -1.072   4.125   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -1.786   4.537   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.357   4.537   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.501   0.825   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.501   4.125   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1      -3.215   4.537   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1      -3.930   4.125   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       2.501   1.238   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       3.215   1.650   0.000  1.00  0.00           C  
HETATM   39  N   UNL     1       3.215   2.475   0.000  1.00  0.00           N  
HETATM   40  C   UNL     1       3.930   2.888   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       3.930   3.712   0.000  1.00  0.00           C  
HETATM   42  O   UNL     1       3.215   4.125   0.000  1.00  0.00           O  
HETATM   43  C   UNL     1       2.501   3.712   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       2.501   2.888   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    2                                                      
CONECT    9    4                                                      
CONECT   10    5   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   15   19                                            
CONECT   14   12                                                      
CONECT   15   13   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   13   21                                            
CONECT   20   16   37                                                 
CONECT   21   19                                                      
CONECT   22   18   23   24                                            
CONECT   23   22   33                                                 
CONECT   24   22   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27   31   32                                            
CONECT   31   30   34                                                 
CONECT   32   30                                                      
CONECT   33   23                                                      
CONECT   34   31   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35                                                      
CONECT   37   20   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40   44                                            
CONECT   40   39   41                                                 
CONECT   41   40   42                                                 
CONECT   42   41   43                                                 
CONECT   43   42   44                                                 
CONECT   44   43   39                                                 
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
M  END

$$$$
D0MH7K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.439   1.293   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.439   0.468   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.725   0.054   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.008   0.468   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.008   1.293   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.725   1.706   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.294   0.054   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.578   0.468   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.578   1.293   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -0.864   0.055   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.864  -0.770   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.149  -1.182   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.565  -0.770   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.565   0.055   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.149   0.468   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.280  -1.182   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.994  -0.770   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.994   0.055   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.280   0.468   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       1.280   1.293   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.709   0.468   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.423   0.055   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.138   0.468   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.138   1.293   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.423   1.705   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.709   1.293   0.000  1.00  0.00           C  
HETATM   27  S   UNL     1       2.709  -1.182   0.000  1.00  0.00           S  
HETATM   28  C   UNL     1       3.423  -0.770   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.138  -1.182   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.138  -2.007   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.852  -2.420   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.566  -2.007   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       5.566  -1.182   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1       4.852  -0.770   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.154   1.705   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1      -4.742   2.420   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -4.439   1.293   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1      -5.566   0.991   0.000  1.00  0.00           F  
CONECT    1    2    6   35                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   19                                            
CONECT   15   14   10                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18   27                                            
CONECT   18   17   19   21                                            
CONECT   19   18   14   20                                            
CONECT   20   19                                                      
CONECT   21   18   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   17   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35    1   36   37   38                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0MH8G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.098   4.253   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.098   3.428   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.384   3.016   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.669   3.428   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.669   4.253   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.384   4.666   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       0.045   4.666   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.813   4.666   0.000  1.00  0.00           C  
HETATM    9  H   UNL     1      -2.813   3.016   0.000  1.00  0.00           H  
HETATM   10  C   UNL     1       0.045   3.016   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.045   2.191   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.759   1.778   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.759   0.953   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       1.474   2.191   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       0.092   0.468   0.000  1.00  0.00           C  
HETATM   16  S   UNL     1       0.347  -0.316   0.000  1.00  0.00           S  
HETATM   17  C   UNL     1       1.172  -0.316   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.427   0.468   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.212   0.723   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.657  -0.984   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.477  -0.897   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.813  -0.144   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.384   2.191   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       1.321  -1.737   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.501  -1.824   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.165  -2.577   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.650  -3.245   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.471  -3.159   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.806  -2.405   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       0.315  -3.998   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -0.506  -4.085   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.800  -4.666   0.000  1.00  0.00           C  
CONECT    1    2    6    8                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   23                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    1                                                      
CONECT    9    2                                                      
CONECT   10    4   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   15   18                                            
CONECT   14   12                                                      
CONECT   15   13   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   13   19                                            
CONECT   19   18                                                      
CONECT   20   17   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21                                                      
CONECT   23    3                                                      
CONECT   24   20   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27   31   32                                            
CONECT   31   30                                                      
CONECT   32   30                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0MI7K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.747  -0.173   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.922  -0.173   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.509   0.542   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.922   1.256   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.747   1.256   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.159   0.542   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.684   0.542   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.859   0.542   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.207   1.917   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.278   1.250   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.238   0.605   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.353  -0.211   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.838   0.456   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.323   1.100   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.879   1.125   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.699   1.038   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.412  -0.137   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       2.212   0.063   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       2.439   0.856   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       2.785  -0.531   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.558  -1.324   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.132  -1.917   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.932  -1.717   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.159  -0.924   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       3.586  -0.331   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7   11                                                 
CONECT    9   10   14                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   15    8                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   16   17                                       
CONECT   14   13    9                                                 
CONECT   15   11   16                                                 
CONECT   16   15   13                                                 
CONECT   17   13   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0MJ4L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858   0.206   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.143  -0.206   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.429   0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715  -0.206   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.000   0.206   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.715  -0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.429   0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.143  -0.206   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       2.858   0.206   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.143  -1.031   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.715  -1.031   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       0.000   1.031   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1       2.143  -1.031   0.000  1.00  0.00           O  
CONECT    1    2                                                      
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   11                                            
CONECT    5    4    6   12                                            
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8                                                      
CONECT   10    2                                                      
CONECT   11    4                                                      
CONECT   12    5                                                      
CONECT   13    8                                                      
MASTER        0    0    0    0    0    0    0    0   13    0   13    0
END
M  END

$$$$
D0MK7X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.166   0.321   0.000  1.00  0.00           N  
HETATM    2  N   UNL     1      -3.166  -0.504   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.451  -0.916   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.737  -0.504   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.737   0.321   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.451   0.734   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.124   0.873   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.459   1.627   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.280   1.541   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.451  -1.741   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.737  -2.154   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.023  -1.741   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.023  -0.916   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.832   2.154   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.317   0.702   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.062  -0.083   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.745  -0.254   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.297   0.359   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.042   1.143   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.235   1.315   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1      -0.020   2.099   0.000  1.00  0.00           F  
HETATM   22  O   UNL     1       1.000  -1.039   0.000  1.00  0.00           O  
HETATM   23  F   UNL     1      -0.308  -2.154   0.000  1.00  0.00           F  
HETATM   24  C   UNL     1       1.807  -1.211   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.359  -0.597   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.166  -0.769   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   10                                            
CONECT    4    3    5   13                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1    9                                            
CONECT    7    5    8   15                                            
CONECT    8    7    9                                                 
CONECT    9    8    6   14                                            
CONECT   10    3   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   23                                            
CONECT   13   12    4                                                 
CONECT   14    9                                                      
CONECT   15    7   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
CONECT   22   17   24                                                 
CONECT   23   12                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0MK8L
  -OEChem-09301911142D

 60 61  0     1  0  0  0  0  0999 V2000
    4.2436    2.9844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4583    0.1393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6949   -2.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0014    5.3070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8094    3.3753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6284    1.6528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6166    6.6386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4356    4.9160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8259    3.6889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0570    1.1573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6002    6.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3859   -3.2388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6448    1.9664    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6393    1.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4191    4.6025    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2381    2.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4246    4.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2271    2.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0179    5.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4638    0.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8760   -0.5652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0069    5.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2827   -1.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6949   -2.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2216    2.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0233    5.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0039   -3.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1949   -3.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1949   -4.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3289   -5.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0610   -5.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3289   -6.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0610   -6.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1949   -6.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8970    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4684    1.2658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1966    1.5900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0357    4.5377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8230    4.5570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4678    4.0885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4425    3.6241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4404    1.2222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3980    3.2668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6699    2.9426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6194    5.7705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9746    6.2390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4453   -0.1192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3620   -0.9119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7134   -1.9248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7967   -1.1321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5936   -3.4304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9646    6.8266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836    6.3898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4260    3.3105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    6.7034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7920   -5.0166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5979   -5.0166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7920   -6.6366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5979   -6.6366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1949   -7.4466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2 20  2  0  0  0  0
  3 12  1  0  0  0  0
  3 24  1  0  0  0  0
  4 22  2  0  0  0  0
  5 25  1  0  0  0  0
  5 54  1  0  0  0  0
  6 25  2  0  0  0  0
  7 26  1  0  0  0  0
  7 55  1  0  0  0  0
  8 26  2  0  0  0  0
 15  9  1  1  0  0  0
  9 16  1  0  0  0  0
  9 41  1  0  0  0  0
 13 10  1  6  0  0  0
 10 20  1  0  0  0  0
 10 42  1  0  0  0  0
 11 22  1  0  0  0  0
 11 52  1  0  0  0  0
 11 53  1  0  0  0  0
 12 28  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 13 35  1  0  0  0  0
 14 18  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 17  1  0  0  0  0
 15 22  1  0  0  0  0
 15 38  1  0  0  0  0
 17 19  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 25  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 26  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 21  1  0  0  0  0
 21 23  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 23 24  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 51  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 56  1  0  0  0  0
 31 33  2  0  0  0  0
 31 57  1  0  0  0  0
 32 34  2  0  0  0  0
 32 58  1  0  0  0  0
 33 34  1  0  0  0  0
 33 59  1  0  0  0  0
 34 60  1  0  0  0  0
M  END

$$$$
D0MM1Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   1.522   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501   0.697   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786   0.284   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072   0.697   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072   1.522   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   1.935   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.357   1.935   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.357   2.760   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1      -1.786   2.760   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1      -3.215   0.284   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1       0.357   1.522   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.072   1.935   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.786   1.522   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.786   0.697   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.501   0.284   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.215   0.697   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.215   1.522   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.501   1.935   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       2.501   2.760   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1       3.930   0.284   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.786  -0.540   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.501  -0.953   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.501  -1.778   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.786  -2.191   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.072  -1.778   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.072  -0.953   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.067  -2.760   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.235  -2.537   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.613  -2.716   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.235  -1.425   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.930   0.697   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4   21                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1    9                                            
CONECT    7    5    8   11                                            
CONECT    8    7                                                      
CONECT    9    6                                                      
CONECT   10    2   31                                                 
CONECT   11    7   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   13   19                                            
CONECT   19   18                                                      
CONECT   20   16                                                      
CONECT   21    3   22   26   30                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   21                                                 
CONECT   27   23   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   25   28                                                 
CONECT   30   28   21                                                 
CONECT   31   10                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0MM7U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.557   0.294   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.557  -0.531   0.000  1.00  0.00           C  
HETATM    3  S   UNL     1      -0.772  -0.786   0.000  1.00  0.00           S  
HETATM    4  C   UNL     1      -0.287  -0.119   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.772   0.549   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.517   1.333   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.267   1.588   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.267   2.413   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.517   2.668   0.000  1.00  0.00           N  
HETATM   10  S   UNL     1      -1.002   2.001   0.000  1.00  0.00           S  
HETATM   11  C   UNL     1       0.935   2.898   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.224   0.779   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.224  -1.016   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.538  -0.119   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.950  -0.833   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.775  -0.833   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       0.538  -1.548   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.260  -1.501   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.045  -1.246   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.045  -0.421   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.260  -0.166   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.005  -2.285   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       2.557  -2.898   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       1.198  -2.457   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.045  -1.102   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.560  -1.770   0.000  1.00  0.00           C  
CONECT    1    2    5   12                                            
CONECT    2    1    3   13                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   14                                            
CONECT    5    4    1    6                                            
CONECT    6    5    7   10                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    6                                                 
CONECT   11    8                                                      
CONECT   12    1                                                      
CONECT   13    2   25   26                                            
CONECT   14    4   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   18   21                                            
CONECT   17   15                                                      
CONECT   18   16   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   18   23   24                                            
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25   13   26                                                 
CONECT   26   25   13                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0MM8M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.702   0.539   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.285  -0.044   0.000  1.00  0.00           N  
HETATM    3  N   UNL     1      -1.910  -0.779   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.095  -0.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.967   0.165   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.231   0.539   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.352  -0.044   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.172   0.048   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.611   0.747   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.338   1.526   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.559   1.798   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.139   1.359   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.557  -0.681   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.382  -0.681   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.821   0.048   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.435   0.747   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.145  -1.395   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.557  -2.109   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.382  -2.109   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.794  -1.395   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       1.922   2.109   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.100   0.085   0.000  1.00  0.00           C  
HETATM   23  I   UNL     1       3.619  -1.395   0.000  1.00  0.00           I  
HETATM   24  C   UNL     1      -3.619  -0.556   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.395   0.855   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3   22                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    1    6                                            
CONECT    6    5    7   12                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10   16                                            
CONECT   10    9   11   21                                            
CONECT   11   10   12                                                 
CONECT   12   11    6                                                 
CONECT   13    8   14   17                                            
CONECT   14   13   15   20                                            
CONECT   15   14   16                                                 
CONECT   16   15    9                                                 
CONECT   17   13   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   14   23                                            
CONECT   21   10                                                      
CONECT   22    2   24   25                                            
CONECT   23   20                                                      
CONECT   24   22                                                      
CONECT   25   22                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0MN6V
  -OEChem-09301911212D

 48 51  0     1  0  0  0  0  0999 V2000
    3.9176    0.8446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6660   -2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4783   -1.9947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0619   -1.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5320   -0.6900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6660   -0.1900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5320   -1.6900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4783   -0.3853    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8000   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9061   -2.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.6692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9061   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6660    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7889    0.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5033   -2.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5320    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5320    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6660    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5977   -0.0735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1291    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5977   -2.3065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0908   -0.2891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5124   -2.7037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3107   -2.6944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6660   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6709   -2.5840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7909   -0.0855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3891   -0.7753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6819   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3783    0.3726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9815    1.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1996    0.7579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9976   -1.0947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -1.7171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0024   -2.3347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9652   -2.2708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1954   -3.1169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0415   -2.8867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0690    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2631    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0690    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2631    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6660    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 31  1  0  0  0  0
  4  8  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 24  1  0  0  0  0
  6  9  1  0  0  0  0
  6 15  1  1  0  0  0
  6 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 16  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 21  1  0  0  0  0
 19 44  1  0  0  0  0
 20 22  2  0  0  0  0
 20 45  1  0  0  0  0
 21 23  2  0  0  0  0
 21 46  1  0  0  0  0
 22 23  1  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
M  END

$$$$
D0MO1P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.429  -0.969   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.429  -1.794   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.714  -2.207   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.000  -1.794   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.000  -0.969   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.714  -0.556   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.285  -2.207   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.571  -1.794   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.571  -0.969   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.285  -0.556   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.144  -0.556   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.144   0.269   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1       0.858  -0.969   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.811   0.753   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.556   1.538   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.269   1.538   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.524   0.753   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.596   0.498   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.209   1.050   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       0.144  -2.207   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1       3.016   0.879   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       3.429   1.593   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.877   2.207   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.123   1.871   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   20                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12   13                                            
CONECT   12   11   14   17                                            
CONECT   13   11                                                      
CONECT   14   12   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   14   19                                                 
CONECT   19   18   21   24                                            
CONECT   20    8                                                      
CONECT   21   19   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0MO2X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.098   4.253   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.098   3.428   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.384   3.016   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.669   3.428   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.669   4.253   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.384   4.666   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       0.045   4.666   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.813   4.666   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.813   3.016   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.045   3.016   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.045   2.191   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.759   1.778   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.759   0.953   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       1.474   2.191   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       0.092   0.468   0.000  1.00  0.00           C  
HETATM   16  S   UNL     1       0.347  -0.316   0.000  1.00  0.00           S  
HETATM   17  C   UNL     1       1.172  -0.316   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.427   0.468   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.212   0.723   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.657  -0.984   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.477  -0.897   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.813  -0.144   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.384   2.191   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       1.321  -1.737   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.501  -1.824   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.165  -2.577   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.650  -3.245   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.471  -3.159   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.806  -2.405   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       0.315  -3.998   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -0.506  -4.085   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.800  -4.666   0.000  1.00  0.00           C  
CONECT    1    2    6    8                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   23                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    1                                                      
CONECT    9    2                                                      
CONECT   10    4   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   15   18                                            
CONECT   14   12                                                      
CONECT   15   13   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   13   19                                            
CONECT   19   18                                                      
CONECT   20   17   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21                                                      
CONECT   23    3                                                      
CONECT   24   20   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27   31   32                                            
CONECT   31   30                                                      
CONECT   32   30                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0MO3W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.527  -0.479   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.702  -0.479   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.290   0.235   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.702   0.950   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.527   0.950   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.940   0.235   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.150  -1.092   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.397  -0.757   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.483   0.064   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.064  -1.913   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.257  -2.084   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.155  -1.370   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.232   0.476   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.976   0.121   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.976  -0.704   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.560   0.704   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.356   0.490   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.940   1.074   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.726   1.871   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.929   2.084   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.346   1.501   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8   10                                            
CONECT    8    7    9   12                                            
CONECT    9    8    3   13                                            
CONECT   10    7   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    8                                                 
CONECT   13    9   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0MO5Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.960   0.604   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.548  -0.111   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.723  -0.111   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.310   0.604   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.723   1.318   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.548   1.318   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -4.785   0.604   0.000  1.00  0.00          Cl  
HETATM    8  O   UNL     1      -1.485   0.604   0.000  1.00  0.00           O  
HETATM    9  N   UNL     1      -2.310  -0.825   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.485  -0.825   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.000  -1.492   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.216  -1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.216  -0.412   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.000  -0.158   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.499  -1.650   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.213  -1.238   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.213  -0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.499   0.000   0.000  1.00  0.00           C  
HETATM   19  S   UNL     1       1.928   0.000   0.000  1.00  0.00           S  
HETATM   20  N   UNL     1       2.642   0.412   0.000  1.00  0.00           N  
HETATM   21  O   UNL     1       1.515   0.714   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       2.340  -0.714   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       3.356   0.000   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.071   0.412   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       4.071   1.238   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       3.356   1.650   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.642   1.238   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.785   1.650   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    9                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    4                                                      
CONECT    9    3   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14   18                                            
CONECT   14   13   10                                                 
CONECT   15   12   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   13                                                 
CONECT   19   17   20   21   22                                       
CONECT   20   19   23   27                                            
CONECT   21   19                                                      
CONECT   22   19                                                      
CONECT   23   20   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   20                                                 
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0MQ2D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.888  -0.357   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.475  -1.072   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.650  -1.072   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.238  -0.357   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.650   0.357   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.475   0.357   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.412  -0.357   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.000   0.357   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.000  -1.072   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.825  -1.072   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.238  -1.786   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.062  -1.786   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.475  -1.072   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.062  -0.357   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.238  -0.357   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.300  -1.072   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.712  -1.786   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       3.712  -0.357   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       3.300   0.357   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       0.825   0.357   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.238   1.072   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.825   1.786   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       0.000   1.786   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.412   1.072   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1      -3.712  -0.357   0.000  1.00  0.00           F  
CONECT    1    2    6   25                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   20   24                                            
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18                                                      
CONECT   20    8   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23    8                                                 
CONECT   25    1                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0MQ3X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.421  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.421  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.706  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.992  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.992  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.706   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.278  -1.444   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.437  -1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.437  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.278   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.151   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.151   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.437   1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.278   1.031   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       1.936  -0.049   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       2.421   0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.936   1.286   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.992   1.444   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       0.437   2.269   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.706  -2.269   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.191   2.071   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   20                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12   15                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14   19                                            
CONECT   14   13   10   18                                            
CONECT   15   11   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   21                                            
CONECT   18   14                                                      
CONECT   19   13                                                      
CONECT   20    3                                                      
CONECT   21   17                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0MQ6T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.852  -0.920   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.852  -1.745   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.138  -2.157   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.577  -1.745   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.577  -0.920   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.138  -0.507   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.222  -2.259   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.026  -2.076   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.384  -1.332   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.026  -0.589   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.222  -0.405   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1       2.449   0.119   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       1.906   0.741   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.148   0.416   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.439   0.839   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.458   1.664   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.247   2.092   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.971   1.664   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.971   0.839   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.247   0.411   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.688   2.073   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.694   2.898   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.412   3.304   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.123   2.898   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.123   2.073   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.412   1.666   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -2.416   0.841   0.000  1.00  0.00           F  
HETATM   28 CL   UNL     1      -1.567  -2.157   0.000  1.00  0.00          Cl  
HETATM   29  S   UNL     1       2.540  -2.721   0.000  1.00  0.00           S  
HETATM   30  O   UNL     1       3.123  -2.138   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       3.121  -3.302   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       1.956  -3.304   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   28                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   29                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10    5   14                                            
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   11   15                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21   27                                            
CONECT   27   26                                                      
CONECT   28    2                                                      
CONECT   29    8   30   31   32                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0MQ7F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.665   0.282   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.455  -0.515   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.368  -0.563   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.668   0.206   0.000  1.00  0.00           C  
HETATM    5  S   UNL     1       0.029   0.728   0.000  1.00  0.00           S  
HETATM    6  C   UNL     1       0.783  -1.276   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.599  -1.397   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.202  -0.834   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.138  -0.012   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.455   0.451   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.433   0.582   0.000  1.00  0.00           C  
HETATM   12  F   UNL     1      -1.558   1.397   0.000  1.00  0.00           F  
HETATM   13  F   UNL     1      -2.202   0.881   0.000  1.00  0.00           F  
HETATM   14  F   UNL     1      -2.077   0.066   0.000  1.00  0.00           F  
CONECT    1    2    5   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5   10                                            
CONECT    5    4    1                                                 
CONECT    6    3    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    1   12   13   14                                       
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14   11                                                      
MASTER        0    0    0    0    0    0    0    0   14    0   14    0
END
M  END

$$$$
D0MR7U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.888  -0.296   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.475  -1.010   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.650  -1.010   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.238  -0.296   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.650   0.419   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.475   0.419   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.412  -0.296   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.000   0.419   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.000  -1.010   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.825  -1.010   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.238  -1.725   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.062  -1.725   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.475  -1.010   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.062  -0.296   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.238  -0.296   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.300  -1.010   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.712  -1.725   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       3.712  -0.296   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       3.300   0.419   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       0.821   0.505   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.992   1.312   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       0.278   1.725   0.000  1.00  0.00           N  
HETATM   23  S   UNL     1      -0.336   1.173   0.000  1.00  0.00           S  
HETATM   24  C   UNL     1       1.746   1.648   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1      -3.712  -0.296   0.000  1.00  0.00           F  
CONECT    1    2    6   25                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   20   23                                            
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18                                                      
CONECT   20    8   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22    8                                                 
CONECT   24   21                                                      
CONECT   25    1                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0MR8D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.119   1.631   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.294   1.631   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.881   0.917   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.294   0.202   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.119   0.202   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.531   0.917   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.057   0.917   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.428   1.584   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.213   1.329   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.213   0.504   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.428   0.249   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.927   1.742   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.642   1.329   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.642   0.504   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.927   0.092   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.357   0.092   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.173  -0.535   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.726  -1.149   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.532  -0.977   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1      -0.471  -1.933   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.336  -2.105   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.888  -1.492   0.000  1.00  0.00           C  
HETATM   23 CL   UNL     1       3.357   0.917   0.000  1.00  0.00          Cl  
HETATM   24 CL   UNL     1       2.531   2.346   0.000  1.00  0.00          Cl  
HETATM   25  N   UNL     1       1.695  -1.663   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       2.247  -1.050   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.992  -0.265   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.185  -0.094   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.633  -0.707   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.729  -1.762   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.146  -2.346   0.000  1.00  0.00           C  
HETATM   32 CL   UNL     2       3.270  -0.981   0.000  1.00  0.00          Cl  
CONECT    1    2    6   24                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   23                                            
CONECT    7    3    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11   15                                            
CONECT   11   10    7   17                                            
CONECT   12    9   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   10                                                 
CONECT   16   14                                                      
CONECT   17   11   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   21   31                                            
CONECT   21   20   22                                                 
CONECT   22   21   25   29                                            
CONECT   23    6                                                      
CONECT   24    1                                                      
CONECT   25   22   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   22                                                 
CONECT   30   31                                                      
CONECT   31   20   30                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0MR9V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.623   0.183   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.909   0.595   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.195   0.183   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.520   0.595   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.234   0.183   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       1.949   0.595   0.000  1.00  0.00           N  
HETATM    7  O   UNL     1      -0.909   1.420   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1       1.234  -0.642   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       2.703   0.260   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.255   0.873   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.842   1.587   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.035   1.416   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.115  -0.455   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.922  -0.283   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       4.008   0.537   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       2.780  -1.208   0.000  1.00  0.00           O  
HETATM   17  H   UNL     1       2.151  -0.353   0.000  1.00  0.00           H  
HETATM   18  H   UNL     1       3.807   1.486   0.000  1.00  0.00           H  
HETATM   19 CL   UNL     1       3.178   2.341   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1       0.520   1.420   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.234   1.833   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.234   2.658   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.520   3.070   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.195   2.658   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.195   1.833   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.377   0.518   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.929  -0.095   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.517  -0.809   0.000  1.00  0.00           C  
HETATM   29  S   UNL     1      -1.710  -0.638   0.000  1.00  0.00           S  
HETATM   30  C   UNL     1      -2.852  -1.563   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -3.673  -1.649   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1      -4.008  -2.403   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1      -3.523  -3.070   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1      -2.703  -2.984   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.367  -2.230   0.000  1.00  0.00           C  
CONECT    1    2   26   29                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   20                                            
CONECT    5    4    6    8                                            
CONECT    6    5    9   12                                            
CONECT    7    2                                                      
CONECT    8    5                                                      
CONECT    9    6   10   13   17                                       
CONECT   10    9   11   15   18                                       
CONECT   11   10   12   19                                            
CONECT   12   11    6                                                 
CONECT   13    9   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13                                                      
CONECT   17    9                                                      
CONECT   18   10                                                      
CONECT   19   11                                                      
CONECT   20    4   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26    1   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28    1                                                 
CONECT   30   28   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0MS5W
  -OEChem-09301911152D

 46 48  0     0  0  0  0  0  0999 V2000
    6.3359    0.8692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660    1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5981    1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -1.1175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0622    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1961   -0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320   -0.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4641    0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1060    0.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1060   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000    0.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000   -0.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5981    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4679    0.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6038    0.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3301    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961   -1.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359    0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1961    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1132    1.4996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1132   -1.8096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6642   -0.9879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2460   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660   -2.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4860   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4641   -0.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3291    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9998   -0.9396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6062    1.4958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7286    1.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9316    1.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5937   -1.7442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2002    0.6912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3121   -0.0784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.3021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6879   -1.1499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5991    0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 20  1  0  0  0  0
  2 12  1  0  0  0  0
  2 36  1  0  0  0  0
  3 19  2  0  0  0  0
  4 26  1  0  0  0  0
  4 28  1  0  0  0  0
  5 27  1  0  0  0  0
  5 46  1  0  0  0  0
  6 27  2  0  0  0  0
  7 11  1  0  0  0  0
  7 15  2  0  0  0  0
  8 19  1  0  0  0  0
  8 23  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 18  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 29  1  0  0  0  0
 14 17  2  0  0  0  0
 14 30  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 24  1  0  0  0  0
 21 37  1  0  0  0  0
 22 25  2  0  0  0  0
 22 38  1  0  0  0  0
 23 27  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 26  2  0  0  0  0
 24 41  1  0  0  0  0
 25 26  1  0  0  0  0
 25 42  1  0  0  0  0
 28 43  1  0  0  0  0
 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
M  END

$$$$
D0MS7G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.710   0.447   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.710  -0.378   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.425  -0.791   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.139  -0.378   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.139   0.447   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.425   0.859   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.004   0.859   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.004   1.684   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.719   2.097   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.719   2.922   0.000  1.00  0.00           O1-
HETATM   11  O   UNL     1      -1.433   1.684   0.000  1.00  0.00           O  
HETATM   12 CL   UNL     1       2.853  -0.791   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1      -0.004  -0.791   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.719  -0.378   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.433  -0.791   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.433  -1.616   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.719  -2.028   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.004  -1.616   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.046  -2.168   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1      -1.711  -2.922   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1      -0.890  -2.835   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.853  -1.996   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   13                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   12                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9                                                      
CONECT   11    9                                                      
CONECT   12    4                                                      
CONECT   13    2   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18   21                                            
CONECT   18   17   13                                                 
CONECT   19   16   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   17                                                 
CONECT   22   19                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0MT3J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.999   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.999  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.285  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.570  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.570   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.285   0.825   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.786  -0.667   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.301   0.000   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.786   0.667   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.524   0.000   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.937  -0.715   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.762  -0.715   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.174   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.762   0.715   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.937   0.715   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       2.999   0.000   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1       2.174   1.429   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.999   1.429   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       2.174  -1.429   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       2.999  -1.429   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   19                                            
CONECT   13   12   14   16                                            
CONECT   14   13   15   17                                            
CONECT   15   14   10                                                 
CONECT   16   13                                                      
CONECT   17   14   18                                                 
CONECT   18   17                                                      
CONECT   19   12   20                                                 
CONECT   20   19                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0MT4C
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.787  -0.263   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.787  -1.088   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.073  -1.500   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.358  -1.088   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.358  -0.263   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.073   0.150   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       0.356  -1.500   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       1.070  -1.088   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.070  -0.263   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.356   0.150   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.356   0.975   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.070   1.387   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.785   0.975   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.499   1.387   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.499   2.212   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.785   2.625   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.070   2.212   0.000  1.00  0.00           N  
HETATM   18 CL   UNL     1       1.785   3.450   0.000  1.00  0.00          Cl  
HETATM   19  O   UNL     1       1.785   0.150   0.000  1.00  0.00           O  
HETATM   20  F   UNL     1       1.867  -0.874   0.000  1.00  0.00           F  
HETATM   21  F   UNL     1       1.483  -1.802   0.000  1.00  0.00           F  
HETATM   22  C   UNL     1      -1.073  -2.325   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.358  -2.738   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.787  -2.738   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1      -2.198  -2.026   0.000  1.00  0.00           F  
HETATM   26  F   UNL     1      -2.499  -3.149   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1      -1.376  -3.450   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   22                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   20   21                                       
CONECT    9    8   10   19                                            
CONECT   10    9    5   11                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   12                                                 
CONECT   18   16                                                      
CONECT   19    9                                                      
CONECT   20    8                                                      
CONECT   21    8                                                      
CONECT   22   24    3   23                                            
CONECT   23   22                                                      
CONECT   24   25   26   27   22                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0MT7T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.001  -0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.175  -0.619   0.000  1.00  0.00           C  
HETATM    3  O   UNL     1      -1.690  -1.286   0.000  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.906  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.906  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.690   0.049   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.413   0.096   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.238   0.096   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.651  -0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.238  -1.333   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.413  -1.333   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -5.476  -0.619   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1      -0.191  -1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.523  -1.031   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.523  -0.206   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.191   0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.238   0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.952  -0.206   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.666   0.206   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.666   1.031   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.952   1.444   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.238   1.031   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.191   1.031   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       3.451  -0.049   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.936   0.619   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       3.451   1.286   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       3.706  -0.833   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.761   0.619   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.476   0.206   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.476   1.031   0.000  1.00  0.00           C  
CONECT    1    2    7   11                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    6   16                                            
CONECT    6    5    2                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11                                                 
CONECT   11   10    1                                                 
CONECT   12    9                                                      
CONECT   13    4   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15    5   23                                            
CONECT   17   15   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21   26                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   16                                                      
CONECT   24   19   25   27                                            
CONECT   25   24   26   28                                            
CONECT   26   25   20                                                 
CONECT   27   24                                                      
CONECT   28   25   29   30                                            
CONECT   29   28   30                                                 
CONECT   30   29   28                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0MU3S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.542   0.339   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.828  -0.074   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.113   0.339   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.399  -0.074   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.684   0.339   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.030  -0.074   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.684   1.164   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.399  -0.899   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -3.756   1.135   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.579   1.179   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.875   0.408   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1      -4.234  -0.111   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -4.234  -0.936   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.948  -1.348   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.948  -2.173   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.234  -2.586   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.519  -2.173   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.519  -1.348   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -2.805  -2.586   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1       0.030  -0.899   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.745  -1.311   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.459  -0.899   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.459  -0.074   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.745   0.339   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1       2.174   0.339   0.000  1.00  0.00           F  
HETATM   26  C   UNL     1       2.174  -1.311   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       2.888  -0.899   0.000  1.00  0.00           N  
HETATM   28  O   UNL     1       2.174  -2.136   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       3.603  -1.311   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.603  -2.136   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.317  -2.549   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.032  -2.136   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       5.032  -1.311   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.317  -0.899   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1       5.746  -2.549   0.000  1.00  0.00           F  
HETATM   36  C   UNL     1      -5.032   1.871   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1      -5.746   1.459   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1      -5.444   2.586   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1      -4.317   2.284   0.000  1.00  0.00           F  
CONECT    1    2    9   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5   20   24                                            
CONECT    7    5                                                      
CONECT    8    4                                                      
CONECT    9    1   10                                                 
CONECT   10    9   11   36                                            
CONECT   11   10   12                                                 
CONECT   12   11    1   13                                            
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   13                                                 
CONECT   19   17                                                      
CONECT   20    6   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24   25                                            
CONECT   24   23    6                                                 
CONECT   25   23                                                      
CONECT   26   22   27   28                                            
CONECT   27   26   29                                                 
CONECT   28   26                                                      
CONECT   29   27   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   35                                            
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   32                                                      
CONECT   36   10   37   38   39                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   36                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0MV3E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.357   0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.357  -0.412   0.000  1.00  0.00           C  
HETATM    9  CA  UNL     1       1.072  -0.825   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       1.786  -0.412   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.786   0.412   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.072   0.825   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.072  -1.650   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       0.357  -2.062   0.000  1.00  0.00           O  
HETATM   15  OXT UNL     1       1.786  -2.062   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    9   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
MASTER        0    0    0    0    0    0    0    0   15    0   15    0
END
M  END

$$$$
D0MW0K
  -OEChem-09301911172D

 89 90  0     1  0  0  0  0  0999 V2000
   13.2583    0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.4545   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3205    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4545    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885   -0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.2583    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4545    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3205    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1865    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4545    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1865    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4545    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3205    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3330    1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9345    1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2549    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4579    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1119    0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5104   -0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5919    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3889    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9914   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1855   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3195   -2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1254   -2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3195   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1254   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7235    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9175    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7235    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9175    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3205    5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  2  0  0  0  0
  2 27  2  0  0  0  0
  3 28  1  0  0  0  0
  3 34  1  0  0  0  0
  4 28  2  0  0  0  0
  5 23  1  0  0  0  0
  5 25  1  0  0  0  0
  5 74  1  0  0  0  0
  6 24  1  0  0  0  0
  6 28  1  0  0  0  0
  6 78  1  0  0  0  0
  7 27  1  0  0  0  0
  7 29  1  0  0  0  0
  7 79  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 41  1  0  0  0  0
  8 42  1  0  0  0  0
  9 11  1  0  0  0  0
  9 43  1  0  0  0  0
  9 44  1  0  0  0  0
 10 12  1  0  0  0  0
 10 45  1  0  0  0  0
 10 46  1  0  0  0  0
 11 13  1  0  0  0  0
 11 47  1  0  0  0  0
 11 48  1  0  0  0  0
 12 14  1  0  0  0  0
 12 49  1  0  0  0  0
 12 50  1  0  0  0  0
 13 15  1  0  0  0  0
 13 51  1  0  0  0  0
 13 52  1  0  0  0  0
 14 16  1  0  0  0  0
 14 53  1  0  0  0  0
 14 54  1  0  0  0  0
 15 17  1  0  0  0  0
 15 55  1  0  0  0  0
 15 56  1  0  0  0  0
 16 18  1  0  0  0  0
 16 57  1  0  0  0  0
 16 58  1  0  0  0  0
 17 22  1  0  0  0  0
 17 59  1  0  0  0  0
 17 60  1  0  0  0  0
 18 25  1  0  0  0  0
 18 61  1  0  0  0  0
 18 62  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 63  1  0  0  0  0
 19 64  1  0  0  0  0
 20 23  1  0  0  0  0
 20 65  1  0  0  0  0
 20 66  1  0  0  0  0
 21 24  1  0  0  0  0
 21 67  1  0  0  0  0
 21 68  1  0  0  0  0
 22 26  1  0  0  0  0
 22 69  1  0  0  0  0
 22 70  1  0  0  0  0
 23 71  1  0  0  0  0
 23 72  1  0  0  0  0
 24 27  1  0  0  0  0
 24 73  1  0  0  0  0
 26 75  1  0  0  0  0
 26 76  1  0  0  0  0
 26 77  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 80  1  0  0  0  0
 31 33  2  0  0  0  0
 31 81  1  0  0  0  0
 32 35  2  0  0  0  0
 32 82  1  0  0  0  0
 33 35  1  0  0  0  0
 33 83  1  0  0  0  0
 34 36  2  0  0  0  0
 34 37  1  0  0  0  0
 35 84  1  0  0  0  0
 36 38  1  0  0  0  0
 36 85  1  0  0  0  0
 37 39  2  0  0  0  0
 37 86  1  0  0  0  0
 38 40  2  0  0  0  0
 38 87  1  0  0  0  0
 39 40  1  0  0  0  0
 39 88  1  0  0  0  0
 40 89  1  0  0  0  0
M  END

$$$$
D0MW7L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.418   2.348   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.418   1.522   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.133   1.110   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.847   1.522   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.847   2.348   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.133   2.760   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.133   0.285   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.418  -0.128   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.418  -0.953   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.133  -1.365   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.847  -0.953   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.847  -0.128   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.704   1.110   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.011   1.522   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.725   1.110   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.011   2.348   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.479   1.446   0.000  1.00  0.00           C  
HETATM   18  S   UNL     1      -2.031   0.832   0.000  1.00  0.00           S  
HETATM   19  C   UNL     1      -1.619   0.118   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.811   0.289   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.954  -0.636   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.133   3.585   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1      -2.761  -0.807   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1      -2.847  -1.628   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.093  -1.963   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.541  -1.350   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.133  -2.190   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       2.847  -2.603   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -1.883  -2.760   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1      -1.058  -2.760   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -1.883  -3.585   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -2.708  -2.760   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   22                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   27                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    2   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   17   20                                            
CONECT   16   14                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   15                                                 
CONECT   21   19   23   26                                            
CONECT   22    6                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   21                                                 
CONECT   27   10   28                                                 
CONECT   28   27                                                      
CONECT   29   25   30   31   32                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END

$$$$

$$$$

$$$$
D0MX0Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.072  -0.911   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.072  -1.736   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.787  -2.149   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.501  -1.736   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.501  -0.911   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.787  -0.499   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.286  -1.991   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.771  -1.324   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.286  -0.656   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.642  -0.499   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.357  -0.911   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.357  -1.736   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.071  -0.499   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.786  -0.911   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.500  -0.499   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.541   0.128   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.337   0.342   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       3.551   1.139   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       4.348   1.352   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.561   2.149   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       4.931   0.769   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.500   0.326   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.215   0.739   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.929   0.326   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.929  -0.499   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.215  -0.911   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1      -4.931   0.740   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.217   0.328   0.000  1.00  0.00           C  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   16                                            
CONECT   10    1   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   22   26                                            
CONECT   16    9   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   15   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   15                                                 
CONECT   27   24   28                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0MX3Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.613   2.950   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.613   2.125   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       3.327   1.713   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       4.042   2.125   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       4.042   2.950   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.327   3.363   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       4.756   3.363   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       5.471   2.950   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1       4.756   4.188   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.898   1.713   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.184   2.125   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.469   1.713   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.469   0.888   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.184   0.475   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.898   0.888   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.245   0.475   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.245  -0.350   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       0.469  -0.762   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.960  -0.762   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.714  -0.427   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1      -2.265  -1.040   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.853  -1.754   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.046  -1.583   0.000  1.00  0.00           O  
HETATM   24  N   UNL     1      -2.188  -2.508   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.009  -2.594   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.494  -1.927   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.314  -2.013   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.650  -2.767   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.165  -3.434   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.345  -3.348   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -5.471  -2.853   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -4.501  -4.188   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    2   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17                                                      
CONECT   19   17   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   19                                                 
CONECT   24   22   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30   32                                            
CONECT   30   29   25                                                 
CONECT   31   28                                                      
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0MX5B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.838   0.728   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.426   0.013   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.619   0.185   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.533   1.005   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.286   1.341   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.049  -0.300   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.802   0.035   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.888   0.856   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.221   1.341   0.000  1.00  0.00           C  
HETATM   10  S   UNL     1       1.642   1.192   0.000  1.00  0.00           S  
HETATM   11  C   UNL     1       2.310   0.707   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.223  -0.114   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.891  -0.599   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.644  -0.263   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.731   0.557   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.063   1.042   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.150   1.863   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       2.482   2.348   0.000  1.00  0.00           O  
HETATM   19  N   UNL     1       3.903   2.198   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       4.571   1.713   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.761  -0.740   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.558  -0.527   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.142  -1.110   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.856  -0.698   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.571  -1.110   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.571  -1.935   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.856  -2.348   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.142  -1.935   0.000  1.00  0.00           N  
CONECT    1    2    5                                                 
CONECT    2    1    3   21                                            
CONECT    3    2    4    6                                            
CONECT    4    3    5    9                                            
CONECT    5    4    1                                                 
CONECT    6    3    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    4                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11   17                                            
CONECT   17   16   18   19                                            
CONECT   18   17                                                      
CONECT   19   17   20                                                 
CONECT   20   19                                                      
CONECT   21    2   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0MY3K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.856   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.681   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.094  -0.715   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.681  -1.429   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.856  -1.429   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.444  -0.715   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.919  -0.715   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.619  -0.715   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.206   0.000   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.619   0.000   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -0.619   0.715   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       1.031  -0.715   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.856  -0.715   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.269   0.000   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.856   0.715   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.031   0.715   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.094   0.000   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       3.506  -0.715   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       4.331  -0.715   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.744   0.000   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       4.331   0.715   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       3.506   0.715   0.000  1.00  0.00           C  
HETATM   23 CL   UNL     1       3.094   1.429   0.000  1.00  0.00          Cl  
HETATM   24  C   UNL     1      -4.331  -1.429   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.331   0.000   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.744  -0.715   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    3   24   25   26                                       
CONECT    8    6    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   12   16                                            
CONECT   11    9                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   10                                                 
CONECT   17   14   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17   23                                            
CONECT   23   22                                                      
CONECT   24    7                                                      
CONECT   25    7                                                      
CONECT   26    7                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0MZ4V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.393   1.118   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.393   0.293   0.000  1.00  0.00           N  
HETATM    3  O   UNL     1      -0.609   0.038   0.000  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.124   0.706   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.609   1.373   0.000  1.00  0.00           N  
HETATM    6  N   UNL     1      -2.061   1.603   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       0.698   0.706   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.109  -0.006   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.109   1.418   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.698   2.130   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.121   2.130   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1       1.108   2.839   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.929  -0.006   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       2.338   0.703   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       2.338  -0.716   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.003  -1.470   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.616  -2.022   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.330  -1.609   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       3.159  -0.802   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       2.530  -2.839   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.061   2.428   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.846   2.683   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.330   2.016   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.846   1.348   0.000  1.00  0.00           C  
CONECT    1    2    5    6                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    1                                                 
CONECT    6    1   21   24                                            
CONECT    7    4    8    9                                            
CONECT    8    7   13                                                 
CONECT    9    7   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13    8   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   15                                                 
CONECT   20   17                                                      
CONECT   21    6   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23    6                                                 
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0MZ7I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.558  -4.043   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.558  -3.218   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.844  -4.456   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.129  -4.043   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.129  -3.218   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.844  -2.806   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.844  -1.981   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.129  -1.568   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.129  -0.743   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.415  -0.331   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.415   0.494   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.747   0.979   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.002   1.764   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.827   1.764   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.082   0.979   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.379   2.377   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.186   2.205   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.441   1.421   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.889   0.807   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.415  -4.456   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1      -2.844  -5.281   0.000  1.00  0.00          Cl  
HETATM   22  C   UNL     1      -4.272  -4.456   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.124   3.161   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.339   3.416   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.339   4.241   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1      -2.124   4.496   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.609   3.829   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.434   3.829   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.672   2.931   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.025   0.689   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       0.734   1.112   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       0.844   1.930   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       0.274   2.526   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.547   2.452   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1       0.099  -0.133   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1       1.422   0.658   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       1.373  -0.166   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       2.061  -0.620   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       2.799  -0.251   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       2.848   0.572   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       2.160   1.027   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.379   5.281   0.000  1.00  0.00           C  
HETATM   43 CL   UNL     1      -3.738   2.818   0.000  1.00  0.00          Cl  
HETATM   44  C   UNL     1       3.586   0.941   0.000  1.00  0.00           C  
HETATM   45  O   UNL     1       3.635   1.762   0.000  1.00  0.00           O  
HETATM   46  O   UNL     1       4.272   0.488   0.000  1.00  0.00           O  
CONECT    1    2    3   22                                            
CONECT    2    1    6                                                 
CONECT    3    1    4   21                                            
CONECT    4    3    5   20                                            
CONECT    5    4    6                                                 
CONECT    6    5    2    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13   30                                            
CONECT   13   12   14   34                                            
CONECT   14   13   15   16                                            
CONECT   15   14   11   19                                            
CONECT   16   14   17   23                                            
CONECT   17   16   18   43                                            
CONECT   18   17   19                                                 
CONECT   19   18   15                                                 
CONECT   20    4                                                      
CONECT   21    3                                                      
CONECT   22    1                                                      
CONECT   23   16   24   27                                            
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   42                                            
CONECT   27   26   23   28                                            
CONECT   28   27                                                      
CONECT   29   24                                                      
CONECT   30   12   31   35                                            
CONECT   31   30   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   13                                                 
CONECT   35   30                                                      
CONECT   36   31   37   41                                            
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   44   39   41                                            
CONECT   41   40   36                                                 
CONECT   42   26                                                      
CONECT   43   17                                                      
CONECT   44   45   46   40                                            
CONECT   45   44                                                      
CONECT   46   44                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
M  END

$$$$
D0MZ7K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.800   1.986   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.800   1.161   0.000  1.00  0.00           N  
HETATM    3  N   UNL     1      -0.086   0.748   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.629   1.161   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.629   1.986   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.086   2.398   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.585   2.241   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -2.070   1.573   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.585   0.906   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.840   0.121   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.343   0.748   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.430  -0.072   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.237  -0.244   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.649   0.471   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.097   1.084   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.269   1.891   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.053   2.146   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.225   2.953   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.612   3.505   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.827   3.250   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.655   2.443   0.000  1.00  0.00           C  
HETATM   22  F   UNL     1       1.214   3.802   0.000  1.00  0.00           F  
HETATM   23  F   UNL     1       3.666   1.594   0.000  1.00  0.00           F  
HETATM   24  C   UNL     1      -2.647  -0.050   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.901  -0.835   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.349  -1.448   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.542  -1.276   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.288  -0.492   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -2.604  -2.233   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -3.411  -2.404   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.666  -3.189   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1      -3.114  -3.802   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -2.307  -3.630   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.052  -2.846   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   11                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    2   10                                            
CONECT   10    9   24   28                                            
CONECT   11    4   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   11   16                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18   23                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   16                                                 
CONECT   22   20                                                      
CONECT   23   17                                                      
CONECT   24   10   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   10                                                 
CONECT   29   26   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END

$$$$

$$$$

$$$$
D0MZ8D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.379   0.463   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.379  -0.362   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.665  -0.775   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.950  -0.362   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.950   0.463   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.665   0.875   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.166  -0.617   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.681   0.050   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.166   0.718   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.911   1.502   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.104   1.674   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1      -1.463   2.115   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.151   2.458   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.958   2.630   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.510   2.017   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.317   2.188   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.572   2.973   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.020   3.586   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.213   3.414   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       0.661   4.027   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       3.379   3.144   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       1.255   1.232   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.911  -1.402   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.144   0.050   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.104  -1.574   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.463  -2.015   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.151  -2.358   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.958  -2.530   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       1.510  -1.917   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       1.255  -1.132   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.448  -0.961   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.307  -2.130   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       0.541   0.820   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.211  -3.313   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1       1.926  -2.901   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1       1.624  -4.027   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1       0.497  -3.725   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   23                                            
CONECT    8    7    9   24                                            
CONECT    9    8    5   10                                            
CONECT   10    9   11   12                                            
CONECT   11   10   13                                                 
CONECT   12   10                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16   22                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   14   20                                            
CONECT   20   19                                                      
CONECT   21   17                                                      
CONECT   22   15   33                                                 
CONECT   23    7   25   26                                            
CONECT   24    8                                                      
CONECT   25   23   27   31                                            
CONECT   26   23                                                      
CONECT   27   25   28                                                 
CONECT   28   27   29   34                                            
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   25                                                 
CONECT   32   29                                                      
CONECT   33   22                                                      
CONECT   34   28   35   36   37                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0MZ9P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.572  -3.300   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.572  -4.125   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.858  -4.537   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143  -4.125   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143  -3.300   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.858  -2.888   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.858  -2.062   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.287  -4.537   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.429  -4.537   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.429  -2.888   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.429  -2.062   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.715  -1.650   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.715  -0.825   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       0.000  -2.062   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.000   0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.715   0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.429   0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.715   0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.143  -0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.143   0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.143   1.650   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.429   2.062   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.715   1.650   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       2.858   2.062   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       3.572   1.650   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.572   0.825   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       4.287   0.412   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       4.287  -0.412   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1      -2.143   0.825   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1      -2.858   0.412   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.143   1.650   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.429   2.062   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.429   2.888   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.143   3.300   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.858   2.888   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.858   2.062   0.000  1.00  0.00           C  
HETATM   40  N   UNL     1      -2.143   4.125   0.000  1.00  0.00           N  
HETATM   41  C   UNL     1      -2.858   4.537   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1      -1.429   4.537   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.572   0.825   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    2                                                      
CONECT    9    4                                                      
CONECT   10    5   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   15   19                                            
CONECT   14   12                                                      
CONECT   15   13   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   32                                            
CONECT   19   18   13   21                                            
CONECT   20   16   22   26                                            
CONECT   21   19                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   20                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30                                                      
CONECT   32   18   33   34                                            
CONECT   33   32   43                                                 
CONECT   34   32   35   39                                            
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38   40                                            
CONECT   38   37   39                                                 
CONECT   39   38   34                                                 
CONECT   40   37   41   42                                            
CONECT   41   40                                                      
CONECT   42   40                                                      
CONECT   43   33                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
M  END

$$$$
D0N0DD
  -OEChem-09301911162D

 27 27  0     1  0  0  0  0  0999 V2000
    4.2690    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350   -0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350    0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5369    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6210    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3810    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  7  2  1  1  0  0  0
  2 21  1  0  0  0  0
  8  3  1  1  0  0  0
  3 22  1  0  0  0  0
  4 10  1  0  0  0  0
  4 23  1  0  0  0  0
 11  5  1  1  0  0  0
  5 13  1  0  0  0  0
  6 12  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  9 12  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END

$$$$
D0N0FA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.145  -0.675   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.430  -0.263   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.716  -0.675   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.001  -0.263   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.001   0.562   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.716   0.975   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.430   0.562   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.713  -0.675   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.713  -1.500   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.428  -1.913   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.142  -1.500   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.142  -0.675   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.428  -0.263   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.857  -0.263   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.571  -0.675   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.285  -0.263   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.285   0.562   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       3.571   0.975   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.857   0.562   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.859  -0.263   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.574  -0.675   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.574  -1.500   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.859  -1.913   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.145  -1.500   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       5.000   0.975   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.716   1.800   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       0.109   1.800   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -0.716   2.625   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -1.541   1.800   0.000  1.00  0.00           F  
HETATM   30  C   UNL     1      -4.288  -1.913   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -4.699  -1.201   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -5.000  -2.324   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -3.877  -2.625   0.000  1.00  0.00           F  
CONECT    1    2   20   24                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6   26    5    7                                            
CONECT    7    6    2                                                 
CONECT    8    4    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    8                                                 
CONECT   14   12   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   25                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20    1   21                                                 
CONECT   21   20   22                                                 
CONECT   22   30   21   23                                            
CONECT   23   22   24                                                 
CONECT   24   23    1                                                 
CONECT   25   17                                                      
CONECT   26   27   28   29    6                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30   31   32   33   22                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0N0QN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.357   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.357  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.643  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.928  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.928   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.643   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.214   0.619   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.214   1.444   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.928   1.856   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.643   1.444   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.499   0.206   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.785   0.619   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.070   0.206   0.000  1.00  0.00           N  
HETATM   14  O   UNL     1      -1.785   1.444   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.356   0.619   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.359   0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.073   0.619   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.073   1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.359   1.856   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.356   1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.788   0.206   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.788  -0.619   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.502  -1.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.216  -0.619   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.216   0.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.502   0.619   0.000  1.00  0.00           C  
HETATM   27  H   UNL     1       2.502  -1.856   0.000  1.00  0.00           H  
HETATM   28  O   UNL     1      -4.643  -1.856   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       5.357  -1.444   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       5.357  -0.619   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       4.643  -1.856   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       3.928  -1.444   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.214  -1.856   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   28                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   10                                            
CONECT    7    5    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    6                                                 
CONECT   11    7   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   15                                                 
CONECT   14   12                                                      
CONECT   15   13   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   17   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   27                                            
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   23                                                      
CONECT   28    3                                                      
CONECT   29   24   30   31                                            
CONECT   30   29                                                      
CONECT   31   29   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0N0TF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.098   1.600   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.098   0.775   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.813   0.363   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.527   0.775   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.527   1.600   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.813   2.013   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.384   0.363   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.331   0.775   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.242   2.013   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.331   1.600   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.045   2.013   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.760   1.600   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.760   0.775   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.045   0.363   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.528   0.474   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.771  -0.315   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.306  -0.996   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.483  -1.058   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.922  -0.453   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.719  -1.711   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.544  -1.711   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.956  -2.425   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.544  -3.140   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.719  -3.140   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.306  -2.425   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.481  -2.425   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -0.656  -2.425   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -1.481  -1.600   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -1.481  -3.250   0.000  1.00  0.00           F  
HETATM   30  C   UNL     1      -1.045   2.838   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.956   1.600   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.242   2.838   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.956   2.425   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.760   3.250   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.331   3.250   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7   10   14                                            
CONECT    9    5   31   32   33                                       
CONECT   10    8   11                                                 
CONECT   11   10   12   30                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13    8   19                                            
CONECT   15   13   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20   26                                            
CONECT   26   25   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30   11   34   35                                            
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   30                                                      
CONECT   35   30                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0N0XU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.002   0.659   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.915  -0.162   0.000  1.00  0.00           N  
HETATM    3  N   UNL     1      -0.108  -0.333   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.304   0.381   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.248   0.995   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.528  -0.714   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.313  -0.459   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.926  -1.011   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.755  -1.818   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.970  -2.072   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.357  -1.520   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -0.572  -1.775   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1       0.038   1.802   0.000  1.00  0.00           C  
HETATM   14 CL   UNL     1      -3.368  -2.370   0.000  1.00  0.00          Cl  
HETATM   15  C   UNL     1       1.125   0.468   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.677  -0.145   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       2.430   0.190   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.344   1.011   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1       1.537   1.182   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.716   1.071   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.716   1.897   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.430   2.309   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.145   1.897   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.145   1.071   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.430   0.659   0.000  1.00  0.00           C  
HETATM   26 CL   UNL     1      -3.859   2.309   0.000  1.00  0.00          Cl  
HETATM   27  C   UNL     1       3.145  -0.222   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.957   1.563   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.742   1.308   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.786   2.370   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.859   0.190   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.145  -1.047   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.859  -1.460   0.000  1.00  0.00           C  
CONECT    1    2    5   20                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   15                                            
CONECT    5    4    1   13                                            
CONECT    6    2    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10    6   12                                            
CONECT   12   11                                                      
CONECT   13    5                                                      
CONECT   14    9                                                      
CONECT   15    4   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   27                                            
CONECT   18   17   19   28                                            
CONECT   19   18   15                                                 
CONECT   20    1   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23                                                      
CONECT   27   17   31   32                                            
CONECT   28   18   29   30                                            
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   27                                                      
CONECT   32   27   33                                                 
CONECT   33   32                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0N0YE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.535   0.746   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.535  -0.079   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.821  -0.491   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.106  -0.079   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.106   0.746   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.821   1.159   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.608  -0.491   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.323  -0.079   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.323   0.746   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.608   1.159   0.000  1.00  0.00           C  
HETATM   11  S   UNL     1       0.608   1.984   0.000  1.00  0.00           S  
HETATM   12  O   UNL     1       1.433   1.984   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.217   1.984   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1       0.608   2.809   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.352   3.167   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.535   3.971   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.021   4.616   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.196   4.616   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.319   3.971   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.135   3.167   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.821  -1.316   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.106  -1.729   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.106  -2.554   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       0.608  -2.966   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       1.323  -2.554   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       0.608  -3.791   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.106  -4.204   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.608  -4.616   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.323  -4.204   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   21                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   12   13   14                                       
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14   11   15   20                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   14                                                 
CONECT   21    3   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0N1CC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.574  -0.263   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.574  -1.088   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.859  -1.500   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.145  -1.088   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.145  -0.263   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.859   0.150   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.430   0.150   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.716  -0.263   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.001   0.150   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.001   0.975   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.716   1.387   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.430   0.975   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.716   2.212   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.713  -0.263   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.713  -1.088   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.428  -1.500   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.142  -1.088   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.142  -0.263   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.428   0.150   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.857   0.150   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.571  -0.263   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       4.286   0.150   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       4.286   0.975   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.571   1.387   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.857   0.975   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       5.000   1.387   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.288  -1.500   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1      -4.699  -0.788   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -5.000  -1.911   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -3.877  -2.212   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2   27    1    3                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11    7                                                 
CONECT   13   11                                                      
CONECT   14    9   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   14                                                 
CONECT   20   18   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23                                                      
CONECT   27   28   29   30    2                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0N1CF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.772   0.210   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.772  -0.615   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.057  -1.027   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.343  -0.615   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.343   0.210   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.057   0.623   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -3.057  -1.852   0.000  1.00  0.00           F  
HETATM    8  C   UNL     1      -1.628   0.623   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.914   0.210   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.628   1.448   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.914   1.860   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.199   1.448   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       0.515   1.860   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.515   2.685   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.199   3.098   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.914   2.685   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.300   1.605   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.785   2.273   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.300   2.940   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.555   0.821   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.003   0.208   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.258  -0.577   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.065  -0.748   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.617  -0.135   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.362   0.649   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       2.320  -1.533   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       1.835  -2.200   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.320  -2.868   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.104  -2.613   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.104  -1.788   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       1.010  -2.200   0.000  1.00  0.00           O  
HETATM   32  N   UNL     1       3.772  -3.098   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    3                                                      
CONECT    8    5    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   13   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23   27   30                                            
CONECT   27   26   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   26                                                 
CONECT   31   27                                                      
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0N1CG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.412  -1.539   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.412  -1.539   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.127  -1.127   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.539  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.539   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.127   1.127   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.412   1.539   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.412   1.539   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.127   1.127   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.539   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.539  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.127  -1.127   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.679   1.740   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.433   1.404   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.346   0.584   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.147   1.816   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.508   2.547   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.336  -0.626   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.127  -1.952   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1       1.539   1.841   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1       2.336   0.626   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       1.952   1.127   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.924  -1.340   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.679  -1.740   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.433  -1.404   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.346  -0.584   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       1.508  -2.547   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       3.147  -1.816   0.000  1.00  0.00           O  
CONECT    1    2   12                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   24                                            
CONECT    4    3    5   26                                            
CONECT    5    4    6   21                                            
CONECT    6    5    7   20   22                                       
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11   15                                            
CONECT   11   10   12   18                                            
CONECT   12   11    1   19   23                                       
CONECT   13    9   14   17                                            
CONECT   14   13   15   16                                            
CONECT   15   14   10                                                 
CONECT   16   14                                                      
CONECT   17   13                                                      
CONECT   18   11                                                      
CONECT   19   12                                                      
CONECT   20    6                                                      
CONECT   21    5                                                      
CONECT   22    6                                                      
CONECT   23   12                                                      
CONECT   24    3   25   27                                            
CONECT   25   24   26   28                                            
CONECT   26   25    4                                                 
CONECT   27   24                                                      
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END

$$$$

$$$$

$$$$
D0N1RX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.300  -0.296   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.888  -1.010   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.062  -1.010   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.650  -0.296   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.062   0.419   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.888   0.419   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.825  -0.296   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.412   0.419   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.412  -1.010   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.412  -1.010   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.825  -1.725   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.650  -1.725   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.062  -1.010   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.650  -0.296   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.825  -0.296   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.888  -1.010   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.300  -1.725   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       3.300  -0.296   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       2.888   0.419   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       0.408   0.505   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1       0.580   1.312   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.135   1.725   0.000  1.00  0.00           C  
HETATM   23  S   UNL     1      -0.748   1.173   0.000  1.00  0.00           S  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   20   23                                            
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18                                                      
CONECT   20    8   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22    8                                                 
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0N1VC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.080  -0.041   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.661  -0.751   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.856  -0.572   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.777   0.250   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.534   0.578   0.000  1.00  0.00           C  
HETATM    6  S   UNL     1      -1.989  -1.508   0.000  1.00  0.00           S  
HETATM    7  C   UNL     1      -0.067   0.669   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.651   0.264   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.362   0.683   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       2.080   0.277   0.000  1.00  0.00           O1-
HETATM   11  O   UNL     1       1.354   1.508   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1       0.659  -0.561   0.000  1.00  0.00           N1+
HETATM   13  C   UNL     1      -0.051  -0.981   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.378  -0.967   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.667  -1.387   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    1                                                 
CONECT    6    2                                                      
CONECT    7    4    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10   11                                            
CONECT   10    9                                                      
CONECT   11    9                                                      
CONECT   12    8   13   14   15                                       
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15   12                                                      
MASTER        0    0    0    0    0    0    0    0   15    0   15    0
END
M  END

$$$$
D0N2DJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.856   1.882   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.856   1.057   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.141   0.644   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.573   1.057   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.573   1.882   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.141   2.294   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.358   0.802   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.843   1.469   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.358   2.137   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1       2.668   1.469   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       3.080   0.755   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.668   0.041   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.080  -0.674   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.905  -0.674   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.318   0.041   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.905   0.755   0.000  1.00  0.00           C  
HETATM   17 CL   UNL     1       4.318   1.469   0.000  1.00  0.00          Cl  
HETATM   18  C   UNL     1       2.668  -1.389   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       3.080  -2.103   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       3.905  -2.103   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.318  -2.817   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       4.318  -1.389   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       3.905  -3.532   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       5.143  -2.817   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.730  -2.103   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.570   2.294   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.285   1.882   0.000  1.00  0.00           N  
HETATM   28  O   UNL     1      -1.570   3.119   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1      -1.570   0.644   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -1.570  -0.181   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.285  -0.593   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.999   2.294   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.999   3.119   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.714   3.532   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.428   3.119   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.428   2.294   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.714   1.882   0.000  1.00  0.00           C  
HETATM   38  F   UNL     1      -5.143   3.532   0.000  1.00  0.00           F  
HETATM   39 CL   UNL     1       1.843   0.041   0.000  1.00  0.00          Cl  
HETATM   40  C   UNL     1       0.945   0.087   0.000  1.00  0.00           C  
HETATM   41  F   UNL     1      -2.285  -1.418   0.000  1.00  0.00           F  
HETATM   42 CL   UNL     1      -5.143   1.882   0.000  1.00  0.00          Cl  
CONECT    1    2    6   26                                            
CONECT    2    1    3   29                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   40                                            
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13   39                                            
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11   17                                            
CONECT   17   16                                                      
CONECT   18   13   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   23   24   25                                       
CONECT   22   20                                                      
CONECT   23   21                                                      
CONECT   24   21                                                      
CONECT   25   21                                                      
CONECT   26    1   27   28                                            
CONECT   27   26   32                                                 
CONECT   28   26                                                      
CONECT   29    2   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   41                                                 
CONECT   32   33   37   27                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36   38                                            
CONECT   36   35   37   42                                            
CONECT   37   36   32                                                 
CONECT   38   35                                                      
CONECT   39   12                                                      
CONECT   40    7                                                      
CONECT   41   31                                                      
CONECT   42   36                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D0N2DK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.651  -1.123   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.936  -0.711   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.222  -1.123   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.507  -0.711   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.207  -1.123   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.922  -0.711   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.636  -1.123   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.351  -0.711   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.065  -1.123   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.780  -0.711   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       4.494  -1.123   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1       5.209  -0.711   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1       3.780   0.114   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1      -1.222  -1.948   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1      -0.507   0.114   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.920   0.829   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.745   0.829   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.507   1.543   0.000  1.00  0.00           O  
HETATM   19  N   UNL     1      -1.958   1.626   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.782   1.669   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.078   0.899   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.437   0.379   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.231   2.361   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.365  -0.711   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.080  -1.123   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.080  -1.948   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.365  -2.361   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.651  -1.948   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.796  -0.711   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1      -4.384   0.004   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -4.082  -1.123   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -5.209  -1.425   0.000  1.00  0.00           F  
CONECT    1    2   24   28                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   14                                            
CONECT    4    3    5   15                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11                                                      
CONECT   13   10                                                      
CONECT   14    3                                                      
CONECT   15    4   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   19   22                                            
CONECT   18   16                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   20                                                      
CONECT   24    1   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27    1                                                 
CONECT   29   25   30   31   32                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0N2FN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287  -0.412   0.000  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.572   0.000   0.000  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.858  -0.412   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.143   0.000   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.715   0.000   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.715   0.000   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.429  -0.412   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       2.143   0.000   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.858  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.572   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.001   0.000   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.858  -1.238   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1       0.715   0.825   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       4.287  -0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       5.001   0.000   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       5.001   0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.287   1.238   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.572   0.825   0.000  1.00  0.00           C  
CONECT    1    2   13                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   14                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   15                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   16   20                                            
CONECT   13    1                                                      
CONECT   14    3                                                      
CONECT   15    8                                                      
CONECT   16   12   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   12                                                 
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0N2TV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.357   0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.357   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.357  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.072   0.000   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.072   0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.357   1.238   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -1.072   1.238   0.000  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -1.072  -0.412   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.786   0.000   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -1.072  -1.238   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.501  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.215   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.215   0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.930   1.238   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.644   0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.644   0.000   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.930  -0.412   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.215  -0.825   0.000  1.00  0.00           O  
HETATM   19  S   UNL     1       1.786  -0.412   0.000  1.00  0.00           S  
HETATM   20  C   UNL     1       2.501   0.000   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.215  -0.412   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       3.930   0.000   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       3.930   0.825   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       3.215   1.238   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.501   0.825   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       4.644  -0.412   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   19                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    2    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13   17   18                                       
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   12                                                      
CONECT   19    4   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   22                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0N2UQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.313  -0.508   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.599  -0.096   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.116  -0.508   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.830  -0.096   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.028  -0.096   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.028   0.729   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.742   1.142   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.457   0.729   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -3.457  -0.096   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.742  -0.508   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.171  -0.508   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.171  -1.333   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.457  -1.746   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.742  -1.333   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.599   0.729   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.155   1.856   0.000  1.00  0.00           C  
HETATM   17  F   UNL     1      -2.742   2.571   0.000  1.00  0.00           F  
HETATM   18  C   UNL     1      -2.330   1.856   0.000  1.00  0.00           C  
HETATM   19  F   UNL     1      -1.505   1.856   0.000  1.00  0.00           F  
HETATM   20  C   UNL     1      -4.755  -1.917   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1      -5.338  -2.500   0.000  1.00  0.00           F  
HETATM   22  F   UNL     1      -5.338  -1.333   0.000  1.00  0.00           F  
HETATM   23  F   UNL     1      -4.171  -2.500   0.000  1.00  0.00           F  
HETATM   24  C   UNL     1       1.544  -0.508   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.544  -1.333   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.259  -1.746   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.974  -1.333   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.974  -0.508   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.259  -0.096   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1       2.259  -2.571   0.000  1.00  0.00           F  
HETATM   31  N   UNL     1       3.688  -1.746   0.000  1.00  0.00           N  
HETATM   32  S   UNL     1       4.513  -1.746   0.000  1.00  0.00           S  
HETATM   33  C   UNL     1       5.338  -1.746   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       4.513  -0.921   0.000  1.00  0.00           O  
HETATM   35  O   UNL     1       4.513  -2.571   0.000  1.00  0.00           O  
CONECT    1    2    5                                                 
CONECT    2    1    3   15                                            
CONECT    3    2    4                                                 
CONECT    4    3   24                                                 
CONECT    5    1    6   10                                            
CONECT    6    5    7                                                 
CONECT    7    6    8   16   18                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12                                                 
CONECT   12   11   13   20                                            
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15    2                                                      
CONECT   16    7   17                                                 
CONECT   17   16                                                      
CONECT   18    7   19                                                 
CONECT   19   18                                                      
CONECT   20   12   21   22   23                                       
CONECT   21   20                                                      
CONECT   22   20                                                      
CONECT   23   20                                                      
CONECT   24    4   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   26                                                      
CONECT   31   27   32                                                 
CONECT   32   31   33   34   35                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0N2VA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -0.976   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -1.801   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.786  -2.213   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.072  -1.801   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072  -0.976   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786  -0.564   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.357  -0.564   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.357   0.262   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.072   0.674   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.786   0.262   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.072   1.499   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.357  -0.976   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.357  -1.801   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.072  -2.213   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.786  -1.801   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.786  -0.976   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.072  -0.564   0.000  1.00  0.00           C  
HETATM   18  F   UNL     1       2.501  -2.213   0.000  1.00  0.00           F  
HETATM   19  C   UNL     1      -0.659   2.213   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.484   2.213   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   10                                            
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    6                                                 
CONECT   11    9   19   20                                            
CONECT   12    7   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15                                                      
CONECT   19   11   20                                                 
CONECT   20   19   11                                                 
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0N3AF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.800   0.372   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.800  -0.453   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.086  -0.866   0.000  1.00  0.00           N  
HETATM    4  N   UNL     1       0.629  -0.453   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.629   0.372   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.086   0.784   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.514  -0.866   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.229  -0.453   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.943  -0.866   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.943  -1.690   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.229  -2.103   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.514  -1.690   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.414  -0.708   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.899  -0.041   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       1.414   0.627   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.086   1.609   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.724  -0.041   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       3.136   0.674   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       3.136  -0.755   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       3.961   0.674   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.374   1.389   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.961   2.103   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.136   2.103   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.724   1.389   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.629   2.022   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.800   2.022   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.009   1.801   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.009   0.976   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       2.724   2.817   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -0.086   2.434   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.659  -2.103   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1      -3.247  -2.817   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -4.374  -2.515   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -4.072  -1.389   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    6   15                                            
CONECT    6    5    1   16                                            
CONECT    7    2    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   31                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    4   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14    5                                                 
CONECT   16    6   25   26   30                                       
CONECT   17   14   18   19                                            
CONECT   18   17   20   24                                            
CONECT   19   17                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   29                                            
CONECT   24   23   18   27   28                                       
CONECT   25   16                                                      
CONECT   26   16                                                      
CONECT   27   24                                                      
CONECT   28   24                                                      
CONECT   29   23                                                      
CONECT   30   16                                                      
CONECT   31   10   32   33   34                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0N3SU
  -OEChem-04152110532D

 17 18  0     0  0  0  0  0  0999 V2000
    6.4103    0.4947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -1.1147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4548   -0.7247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4548    0.1047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
M  END

$$$$
D0N3XY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.576  -0.841   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.576  -1.666   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.862  -2.078   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.147  -1.666   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.147  -0.841   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.862  -0.428   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.363  -1.921   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.878  -1.253   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.363  -0.586   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.009  -1.253   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.480  -0.614   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1       0.531  -1.837   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       1.387  -0.614   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.765   0.051   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.348   0.763   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.523   0.759   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.115   0.042   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.926   1.352   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.751   1.360   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       3.576   1.368   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       3.340   0.782   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.157   2.078   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11   12                                            
CONECT   11   10   13   17                                            
CONECT   12   10                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   11                                                 
CONECT   18   15   19                                                 
CONECT   19   18   20   21   22                                       
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   19                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0N4ON
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786   0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072  -0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357   0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072   1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.072   1.856   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.072  -1.444   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       0.357  -0.619   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.501   1.031   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.215   0.619   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.501   1.856   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.930   1.031   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -4.644   0.619   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.072  -0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.786  -0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.786  -1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.501  -1.856   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.215  -1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.215  -0.619   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.501  -0.206   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.501   0.619   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.786   1.031   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       1.786   1.856   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1       1.072   0.619   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       0.357   1.031   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.215   1.031   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       3.930   0.619   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       4.644   1.031   0.000  1.00  0.00           C  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    3                                                      
CONECT    9    4   15                                                 
CONECT   10    1   11   12                                            
CONECT   11   10   13                                                 
CONECT   12   10                                                      
CONECT   13   11   14                                                 
CONECT   14   13                                                      
CONECT   15    9   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16   22                                            
CONECT   22   21   23   27                                            
CONECT   23   22   24   25                                            
CONECT   24   23                                                      
CONECT   25   23   26                                                 
CONECT   26   25                                                      
CONECT   27   22   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0N4PL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.447   1.765   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.244   1.551   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.574   0.795   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.189   0.066   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.378  -0.088   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.247   0.450   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.247   1.275   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.980   1.654   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.675   1.210   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       1.017   2.478   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.041   1.765   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.244   2.376   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.164  -0.885   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.748  -1.468   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1       0.632  -1.098   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       0.846  -1.895   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.263  -2.478   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.643  -2.109   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.371   0.581   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.414  -0.242   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.644  -0.538   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.063   1.031   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.798   0.656   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.841  -0.168   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.149  -0.617   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       1.620   0.387   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.305  -0.073   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.045   0.291   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.101   1.114   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.415   1.574   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       3.841   1.478   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       3.731  -0.168   0.000  1.00  0.00           F  
CONECT    1    2    7                                                 
CONECT    2    1    3   11   12                                       
CONECT    3    2    4   19                                            
CONECT    4    3    5   21                                            
CONECT    5    4    6   13                                            
CONECT    6    5    7                                                 
CONECT    7    6    1    8                                            
CONECT    8    7    9   10                                            
CONECT    9    8   26   30                                            
CONECT   10    8                                                      
CONECT   11    2                                                      
CONECT   12    2                                                      
CONECT   13    5   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19    3   20   22                                            
CONECT   20   19   21   25                                            
CONECT   21   20    4                                                 
CONECT   22   19   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26    9   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   32                                            
CONECT   29   28   30   31                                            
CONECT   30   29    9                                                 
CONECT   31   29                                                      
CONECT   32   28                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0N4RI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.215  -0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.215  -1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.501  -1.856   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.786  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.786  -0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.501  -0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.501   0.619   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.072  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.357  -0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.643  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.643   0.619   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.357   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.072   0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.072   1.031   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.786   0.619   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1       0.072   1.856   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       0.873  -0.202   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.679  -0.373   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.092   0.341   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.540   0.954   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.912   0.427   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1       3.397  -0.240   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       4.215  -0.154   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.659  -0.999   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       1.240  -1.580   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.135  -1.211   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    5    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15   16                                            
CONECT   15   14   17   20                                            
CONECT   16   14                                                      
CONECT   17   24   15   18                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   15                                                 
CONECT   21   22   19                                                 
CONECT   22   23   21                                                 
CONECT   23   22                                                      
CONECT   24   25   26   17                                            
CONECT   25   24                                                      
CONECT   26   24                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0N4RJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.292   2.220   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.292   1.395   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.577   0.982   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.863   1.395   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.863   2.220   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.577   2.632   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.577   0.157   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.148   0.982   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.148   0.157   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.434  -0.255   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.281   0.157   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.281   0.982   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.434   1.395   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.434   2.220   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.065  -0.098   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.550   0.570   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       1.065   1.237   0.000  1.00  0.00           N  
HETATM   18  S   UNL     1       1.320  -0.882   0.000  1.00  0.00           S  
HETATM   19  O   UNL     1       0.523  -1.096   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1       1.534  -1.679   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.117  -0.669   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.701  -1.252   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.487  -2.049   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.071  -2.632   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.867  -2.419   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.081  -1.622   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.498  -1.038   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.711  -0.242   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.508  -0.028   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.721   0.769   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.138   1.352   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.341   1.139   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.128   0.342   0.000  1.00  0.00           C  
HETATM   34 CL   UNL     1       4.352   2.149   0.000  1.00  0.00          Cl  
HETATM   35  C   UNL     1      -4.007   0.982   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1      -3.595   0.268   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -4.721   0.570   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1      -4.420   1.697   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   35                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3                                                      
CONECT    8    4    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13   17                                            
CONECT   13   12    8   14                                            
CONECT   14   13                                                      
CONECT   15   11   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   19   20   21                                       
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   18   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22   28                                            
CONECT   28   27   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34   31                                                      
CONECT   35    2   36   37   38                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0N4ZM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  O   UNL     1      -0.836   1.845   0.000  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.386   1.234   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.975   0.522   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.171   0.693   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.085   1.511   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.627   1.922   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.310  -0.229   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.826  -0.894   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.161  -1.645   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.127  -0.315   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.965  -1.816   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.051  -2.634   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1      -1.300  -2.968   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.750  -2.357   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.763  -3.045   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.068  -2.443   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.479  -3.155   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.283  -2.984   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.369  -2.166   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       0.618  -1.832   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       0.447  -1.028   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       1.339   1.511   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.051   1.922   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.051   2.744   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       1.339   3.155   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.627   2.744   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       2.763   1.511   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       2.763   0.689   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.051   0.278   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1       1.640   0.990   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1       1.339  -0.134   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       2.462  -0.434   0.000  1.00  0.00           F  
CONECT    1    2    5                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    1    6                                            
CONECT    6    5   22   26                                            
CONECT    7    3    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8   11   14                                            
CONECT   10    7                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9   16                                            
CONECT   15   12                                                      
CONECT   16   14   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   16   21                                            
CONECT   21   20                                                      
CONECT   22    6   23                                                 
CONECT   23   22   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25    6                                                 
CONECT   27   23   28                                                 
CONECT   28   29   27                                                 
CONECT   29   30   31   32   28                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0N5LW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.097   2.329   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.097   1.504   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.383   1.092   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.332   1.504   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.332   2.329   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.383   2.742   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.117   1.250   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.601   1.917   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       1.117   2.584   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.811   1.092   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.426   1.917   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       1.371   0.465   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.179   0.293   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       2.731   0.906   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1       2.433  -0.491   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.881  -1.104   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.240  -0.663   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.526   1.504   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.240   1.092   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.240   0.267   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.526  -0.145   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.811   0.267   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.075  -0.933   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.522  -1.546   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.777  -2.330   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.584  -2.502   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.136  -1.889   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       0.101  -2.742   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.482  -2.159   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9   11                                            
CONECT    9    8    5                                                 
CONECT   10    2   18   22                                            
CONECT   11    8                                                      
CONECT   12    7   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   16   17                                            
CONECT   16   15   23   27                                            
CONECT   17   15                                                      
CONECT   18   10   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   10                                                 
CONECT   23   16   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   16                                                 
CONECT   28   25   29                                                 
CONECT   29   28                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0N5NV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.359  -1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.359  -2.475   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.644  -2.888   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.930  -2.475   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.930  -1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.644  -1.238   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -6.073  -1.238   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -6.073  -2.888   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -6.787  -2.475   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -7.502  -2.888   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.216  -2.475   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.502  -3.712   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.502  -2.062   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -8.216  -1.650   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1      -6.787  -4.125   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1      -8.216  -4.125   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -6.073  -0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.359   0.000   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.644  -0.412   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.930   0.000   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.930   0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.644   1.238   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.359   0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.644   2.062   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.644   2.888   0.000  1.00  0.00           N  
HETATM   26  O   UNL     1      -3.215  -1.238   0.000  1.00  0.00           O  
HETATM   27 CL   UNL     1      -3.215  -2.888   0.000  1.00  0.00          Cl  
HETATM   28  C   UNL     1      -2.501  -1.650   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.786  -1.238   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.072  -1.650   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.357  -1.238   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.357  -0.412   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.072   0.000   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.786  -0.412   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.072  -2.475   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       0.357  -1.650   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       0.357  -2.475   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       1.072  -2.888   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       1.786  -2.475   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       1.786  -1.650   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       1.072  -1.238   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       1.072  -0.412   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       2.501  -1.238   0.000  1.00  0.00           C  
HETATM   44  O   UNL     1       3.215  -1.650   0.000  1.00  0.00           O  
HETATM   45  C   UNL     1       3.930  -1.238   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1       4.644  -1.650   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1       5.359  -1.238   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1       5.359  -0.412   0.000  1.00  0.00           C  
HETATM   49  C   UNL     1       4.644   0.000   0.000  1.00  0.00           C  
HETATM   50  C   UNL     1       3.930  -0.412   0.000  1.00  0.00           C  
HETATM   51 CL   UNL     1       4.644  -2.475   0.000  1.00  0.00          Cl  
HETATM   52  C   UNL     1       6.073   0.000   0.000  1.00  0.00           C  
HETATM   53  N   UNL     1       6.787  -0.412   0.000  1.00  0.00           N  
HETATM   54  C   UNL     1       7.502   0.000   0.000  1.00  0.00           C  
HETATM   55  C   UNL     1       7.502   0.825   0.000  1.00  0.00           C  
HETATM   56  C   UNL     1       8.216  -0.412   0.000  1.00  0.00           C  
HETATM   57  O   UNL     1       8.216  -1.238   0.000  1.00  0.00           O  
HETATM   58  C   UNL     1       8.216   0.412   0.000  1.00  0.00           C  
HETATM   59  O   UNL     1       6.787   1.238   0.000  1.00  0.00           O  
HETATM   60  O   UNL     1       8.216   1.238   0.000  1.00  0.00           O  
HETATM   61  O   UNL     1       4.644   0.825   0.000  1.00  0.00           O  
HETATM   62  C   UNL     1       3.930   1.238   0.000  1.00  0.00           C  
HETATM   63  C   UNL     1       3.930   2.062   0.000  1.00  0.00           C  
HETATM   64  C   UNL     1       4.644   2.475   0.000  1.00  0.00           C  
HETATM   65  C   UNL     1       4.644   3.300   0.000  1.00  0.00           C  
HETATM   66  C   UNL     1       3.930   3.712   0.000  1.00  0.00           C  
HETATM   67  N   UNL     1       3.215   3.300   0.000  1.00  0.00           N  
HETATM   68  C   UNL     1       3.215   2.475   0.000  1.00  0.00           C  
HETATM   69  C   UNL     1       5.359   3.712   0.000  1.00  0.00           C  
HETATM   70  N   UNL     1       6.073   4.125   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   27                                            
CONECT    5    4    6   26                                            
CONECT    6    5    1                                                 
CONECT    7    1   17                                                 
CONECT    8    2    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   12   13                                       
CONECT   11   10                                                      
CONECT   12   10   15   16                                            
CONECT   13   10   14                                                 
CONECT   14   13                                                      
CONECT   15   12                                                      
CONECT   16   12                                                      
CONECT   17    7   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   18                                                 
CONECT   24   22   25                                                 
CONECT   25   24                                                      
CONECT   26    5   28                                                 
CONECT   27    4                                                      
CONECT   28   26   29                                                 
CONECT   29   28   30   34                                            
CONECT   30   29   31   35                                            
CONECT   31   30   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   30                                                      
CONECT   36   31   37   41                                            
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41   43                                            
CONECT   41   40   36   42                                            
CONECT   42   41                                                      
CONECT   43   40   44                                                 
CONECT   44   43   45                                                 
CONECT   45   44   46   50                                            
CONECT   46   45   47   51                                            
CONECT   47   46   48                                                 
CONECT   48   47   49   52                                            
CONECT   49   48   50   61                                            
CONECT   50   49   45                                                 
CONECT   51   46                                                      
CONECT   52   48   53                                                 
CONECT   53   52   54                                                 
CONECT   54   53   55   56   58                                       
CONECT   55   54   59   60                                            
CONECT   56   54   57                                                 
CONECT   57   56                                                      
CONECT   58   54                                                      
CONECT   59   55                                                      
CONECT   60   55                                                      
CONECT   61   49   62                                                 
CONECT   62   61   63                                                 
CONECT   63   62   64   68                                            
CONECT   64   63   65                                                 
CONECT   65   64   66   69                                            
CONECT   66   65   67                                                 
CONECT   67   66   68                                                 
CONECT   68   67   63                                                 
CONECT   69   65   70                                                 
CONECT   70   69                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
M  END

$$$$
D0N5RH
  -OEChem-09301911192D

 54 55  0     1  0  0  0  0  0999 V2000
    6.8671   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.4050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7331    0.9050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7331    1.9050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0010    0.9050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0010   -1.0950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0010   -2.0950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8671    2.4050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -2.5950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -2.0950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -1.0950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -0.1201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -0.1201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3110    4.4419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6910    3.3681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7751    3.3681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1551    4.4419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 13  1  1  6  0  0  0
 17  1  1  1  0  0  0
  2 16  1  0  0  0  0
  2 19  1  0  0  0  0
  3 17  1  0  0  0  0
  3 22  1  0  0  0  0
 14  4  1  1  0  0  0
  4 43  1  0  0  0  0
 19  5  1  1  0  0  0
  5 26  1  0  0  0  0
  6 18  1  0  0  0  0
  6 44  1  0  0  0  0
 20  7  1  1  0  0  0
  7 45  1  0  0  0  0
 21  8  1  1  0  0  0
  8 46  1  0  0  0  0
  9 23  1  0  0  0  0
  9 47  1  0  0  0  0
 10 24  1  0  0  0  0
 10 51  1  0  0  0  0
 11 25  2  0  0  0  0
 12 15  1  0  0  0  0
 12 25  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 15 19  1  0  0  0  0
 15 30  1  0  0  0  0
 16 23  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
 17 32  1  0  0  0  0
 18 20  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 22  1  0  0  0  0
 21 36  1  0  0  0  0
 22 24  1  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 27  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
M  END

$$$$
D0N5WE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.622  -0.791   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.622   0.031   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.090   0.442   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.090   1.264   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.802   1.675   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.622   1.675   0.000  1.00  0.00           O  
HETATM    7  N   UNL     1       1.514   1.264   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.226   1.675   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1       1.925   2.440   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1       1.103   2.440   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.938   1.264   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.938   0.442   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.650   0.031   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       4.362   0.442   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       4.362   1.264   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.650   1.675   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       3.650  -0.791   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       2.925  -1.202   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.090  -1.202   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.404   0.285   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.887  -0.380   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1      -1.404  -1.046   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.712  -0.380   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.124   0.334   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.950   0.334   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.362  -0.380   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.950  -1.095   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.124  -1.095   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       0.805  -0.790   0.000  1.00  0.00           N  
HETATM   30  O   UNL     1       0.090  -2.027   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       1.519  -1.202   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.519  -2.027   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       2.233  -2.440   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1       2.925  -2.027   0.000  1.00  0.00           C  
CONECT    1    2   19   22                                            
CONECT    2    1    3   20                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    7   10                                            
CONECT    6    4                                                      
CONECT    7    5    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    8   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   13   18                                                 
CONECT   18   17   34                                                 
CONECT   19    1   29   30                                            
CONECT   20    2   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21    1                                                 
CONECT   23   21   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   19   31                                                 
CONECT   30   19                                                      
CONECT   31   29   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   18   33                                                 
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0N6GL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.286   2.198   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.286   1.373   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.572   0.960   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.857   1.373   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.857   2.198   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.572   2.610   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.143   0.960   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.056   0.140   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1       0.750  -0.032   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.163   0.683   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.611   1.296   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.669  -0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.454  -0.157   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.067  -0.709   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.896  -1.516   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.111  -1.771   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.498  -1.219   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.509  -2.068   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.984   0.769   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.468   0.102   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1       2.319   1.523   0.000  1.00  0.00           N  
HETATM   22  S   UNL     1       3.293   0.102   0.000  1.00  0.00           S  
HETATM   23  O   UNL     1       3.507   0.898   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       4.090  -0.112   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       3.293  -0.724   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.579  -1.136   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.579  -1.961   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.293  -2.373   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.008  -1.961   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.008  -1.136   0.000  1.00  0.00           C  
HETATM   31  S   UNL     1      -3.293  -1.813   0.000  1.00  0.00           S  
HETATM   32  O   UNL     1      -3.080  -1.016   0.000  1.00  0.00           O  
HETATM   33  O   UNL     1      -3.507  -2.610   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.090  -1.600   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    8   11    4                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   19                                            
CONECT   11   10    7                                                 
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   31                                                 
CONECT   19   10   20   21                                            
CONECT   20   19   22                                                 
CONECT   21   19                                                      
CONECT   22   20   23   24   25                                       
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25   22   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   18   32   33   34                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0N6HP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.207  -1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.207  -2.269   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.492  -2.681   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.778  -2.269   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.778  -1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.492  -1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.063  -1.031   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.063  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.778   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.492  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.778   1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.063   1.444   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.349   1.031   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.366   1.444   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.366   2.269   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.349   2.681   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.063   2.269   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.349  -1.444   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.366  -1.031   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1      -0.349  -2.269   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       1.080  -1.444   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1       1.167  -2.264   0.000  1.00  0.00           S  
HETATM   23  C   UNL     1       1.974  -2.436   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.386  -1.721   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       1.834  -1.108   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       3.207  -1.635   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -1.991   1.828   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -2.603   1.031   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   10                                            
CONECT    7    5    8   18                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    6                                                 
CONECT   11    9   12   27   28                                       
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    7   19   20                                            
CONECT   19   18   21                                                 
CONECT   20   18                                                      
CONECT   21   19   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   21                                                 
CONECT   26   24                                                      
CONECT   27   11                                                      
CONECT   28   11                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0N6JH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.064   1.190   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.064   0.365   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.349  -0.047   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.635   0.365   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.635   1.190   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.349   1.603   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.349   2.428   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.349  -0.872   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.064  -1.285   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.920  -0.047   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.206   0.365   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.206   1.190   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -1.492  -0.047   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.777   0.365   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.364   1.080   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.432   0.866   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.048   0.365   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.828  -0.232   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.205  -0.275   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.592  -0.488   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.123  -0.901   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.147   0.454   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.933   0.703   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.517   0.119   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.303  -0.678   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.887  -1.261   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.684  -1.048   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.897  -0.251   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.314   0.333   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       4.267  -1.631   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       4.053  -2.428   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.064  -1.417   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    3    9                                                 
CONECT    9    8                                                      
CONECT   10    4   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   19   22                                            
CONECT   17   14   18                                                 
CONECT   18   17   21   22                                            
CONECT   19   16   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   18                                                 
CONECT   22   16   18   23                                            
CONECT   23   22   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27   31   32                                            
CONECT   31   30                                                      
CONECT   32   30                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0N6JZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.009   1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.009   0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.706   0.207   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.420   0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.420   1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.706   1.857   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.706  -0.618   0.000  1.00  0.00           N  
HETATM    8  S   UNL     1       1.420  -1.031   0.000  1.00  0.00           S  
HETATM    9 CL   UNL     1       0.706   2.682   0.000  1.00  0.00          Cl  
HETATM   10  N   UNL     1      -0.723   1.857   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.438   1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.192   1.780   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.744   1.167   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.331   0.452   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.524   0.624   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.564   1.253   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.363   2.587   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.833  -0.317   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       1.008  -1.745   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       2.134  -1.443   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.135  -2.268   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.850  -2.680   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.564  -2.268   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.564  -1.443   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.850  -1.032   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.421  -2.682   0.000  1.00  0.00           C  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    9                                            
CONECT    7    3    8                                                 
CONECT    8    7   18   19   20                                       
CONECT    9    6                                                      
CONECT   10    1   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16   13                                                      
CONECT   17   12                                                      
CONECT   18    8                                                      
CONECT   19    8                                                      
CONECT   20    8   21   25                                            
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   21                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0N6NA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.939   0.321   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.114   0.334   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.309  -0.373   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.134  -0.360   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.558  -1.068   0.000  1.00  0.00           N  
HETATM    6  CA  UNL     1       2.383  -1.055   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.807  -1.763   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       3.631  -1.750   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       0.287   1.055   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.137   1.763   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.264   2.484   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1      -0.962   1.750   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1       1.536   0.360   0.000  1.00  0.00           O  
HETATM   14  CB  UNL     1       2.784  -0.334   0.000  1.00  0.00           C  
HETATM   15  CG2 UNL     1       2.360   0.373   0.000  1.00  0.00           C  
HETATM   16  OG1 UNL     1       3.609  -0.321   0.000  1.00  0.00           O  
HETATM   17  OXT UNL     1       2.405  -2.484   0.000  1.00  0.00           O  
HETATM   18  S   UNL     1      -1.426   0.987   0.000  1.00  0.00           S  
HETATM   19  C   UNL     1      -2.210   0.730   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.210  -0.096   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1      -1.426  -0.348   0.000  1.00  0.00           N  
HETATM   22  CA  UNL     1      -2.878   1.213   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.631   0.876   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.878   2.038   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.593   2.451   0.000  1.00  0.00           O  
CONECT    1    2   18   21                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    6                                                 
CONECT    6    5    7   14                                            
CONECT    7    6    8   17                                            
CONECT    8    7                                                      
CONECT    9    2   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13    4                                                      
CONECT   14    6   15   16                                            
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17    7                                                      
CONECT   18    1   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20    1                                                 
CONECT   22   19   23   24                                            
CONECT   23   22                                                      
CONECT   24   22   25                                                 
CONECT   25   24                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0N6NG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.717  -0.781   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.717  -1.607   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.002  -2.019   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.288  -1.607   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.288  -0.781   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.002  -0.369   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.427  -0.369   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.141  -0.781   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1       0.427   0.456   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.856  -0.369   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.609  -0.705   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       3.162  -0.092   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.749   0.623   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.942   0.451   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.431  -0.369   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.781  -1.512   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.168  -2.064   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.339  -2.871   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.124  -3.126   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.737  -2.574   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.565  -1.767   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.517   0.452   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1      -3.324   0.623   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.737  -0.091   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.185  -0.704   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.660   1.377   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.004   1.407   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.452   2.021   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.645   1.849   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.390   1.065   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.093   2.462   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       1.348   3.247   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       0.286   2.291   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       0.681   3.177   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.432  -2.019   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1      -1.723  -3.247   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -3.660  -2.728   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1      -3.141  -0.791   0.000  1.00  0.00           F  
CONECT    1    2    6   15                                            
CONECT    2    1    3   35                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   14                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   27                                            
CONECT   14   13   10   30                                            
CONECT   15    1   22   25                                            
CONECT   16   11   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   15   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   15                                                 
CONECT   26   23                                                      
CONECT   27   13   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29   14                                                 
CONECT   31   29   32   33   34                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
CONECT   35   36   37   38    2                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END

$$$$

$$$$

$$$$
D0N6UO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215   0.240   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215  -0.585   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.501  -0.997   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.786  -0.585   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.786   0.240   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.501   0.653   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.072  -0.997   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.357  -0.585   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.357   0.240   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.072   0.653   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.900  -1.804   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.080  -1.890   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.256  -1.137   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.357   0.653   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.072   0.240   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.786   0.653   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.501   0.240   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.215   0.653   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.215   1.478   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.501   1.890   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.786   1.478   0.000  1.00  0.00           C  
HETATM   22  F   UNL     1       1.072  -0.585   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10   14                                            
CONECT   10    9    5                                                 
CONECT   11    7   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    9   15                                                 
CONECT   15   14   16   22                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   15                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0N6ZA
  -OEChem-09301911182D

 53 55  0     1  0  0  0  0  0999 V2000
    7.4477    4.4074    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4477    5.4074    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4477    4.4074    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2451   -1.9642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5131   -5.4074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4477   -1.5926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0077   -4.4368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6064   -3.6278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7156   -1.5926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1938   -3.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -4.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1448   -3.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2156   -3.4587    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7156   -2.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3496   -2.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0131   -4.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5816   -0.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5816   -1.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7156    0.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4477    0.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8496   -0.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7156    1.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4477    1.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5816    1.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3137    1.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5816    2.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3137    2.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4477    3.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4477    4.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1614   -3.0474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6083   -4.8615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5118   -4.5680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7644   -3.3792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0585   -2.7436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1141   -3.0676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1168   -2.4322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4226   -4.8976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1787   -1.2826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0447   -0.4027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2526    0.7173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6597   -0.1753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0582    0.5150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5396    0.4443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3127   -0.4027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1596   -0.6296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3356    1.4074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7156    2.0274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0956    1.4074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0447    1.5974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8506    1.5974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0447    3.2174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8506    3.2174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 29  1  0  0  0  0
  3 29  1  0  0  0  0
  4 15  2  0  0  0  0
  5 16  2  0  0  0  0
  6 18  2  0  0  0  0
  7 13  1  0  0  0  0
  7 16  1  0  0  0  0
  7 37  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 38  1  0  0  0  0
  9 14  1  0  0  0  0
  9 18  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 40  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 41  1  0  0  0  0
 20 23  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 50  1  0  0  0  0
 25 27  2  0  0  0  0
 25 51  1  0  0  0  0
 26 28  2  0  0  0  0
 26 52  1  0  0  0  0
 27 28  1  0  0  0  0
 27 53  1  0  0  0  0
 28 29  1  0  0  0  0
M  END

$$$$
D0N6ZR
  -OEChem-09301911282D

 29 30  0     1  0  0  0  0  0999 V2000
    3.0000   -2.2035    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.8660   -0.7035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.7035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -3.0695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    0.2965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    0.2965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    1.7965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    3.2965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -1.2035    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5981   -0.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -2.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    0.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    2.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.5835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8101   -1.2861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2087   -0.5959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9441   -2.7861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3426   -2.0959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7880   -0.6209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3894   -1.3112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    0.4865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8100   -3.6065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.1065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    3.6065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611    3.6065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1 13  1  0  0  0  0
  2 10  1  0  0  0  0
  2 13  1  0  0  0  0
  3 12  1  0  0  0  0
  4 26  1  0  0  0  0
  6 15  2  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 15  1  0  0  0  0
  8 17  2  0  0  0  0
  9 17  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 16  2  0  0  0  0
 14 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
M  END

$$$$
D0N7BW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.725   0.302   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.725  -0.523   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.010  -0.936   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.296  -0.523   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.296   0.302   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.010   0.714   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.439  -0.936   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.419   0.714   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.133   0.302   0.000  1.00  0.00           C  
HETATM   10  S   UNL     1       1.220  -0.519   0.000  1.00  0.00           S  
HETATM   11  C   UNL     1       2.026  -0.690   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.439   0.024   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.887   0.637   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       2.058   1.444   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1       2.362  -1.444   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12    9   14                                            
CONECT   14   13                                                      
CONECT   15   11                                                      
MASTER        0    0    0    0    0    0    0    0   15    0   15    0
END
M  END

$$$$
D0N8BA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.223   2.213   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.223   1.389   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.509   0.976   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.794   1.389   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.794   2.213   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.509   2.626   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.509   3.451   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.008   2.468   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.493   1.801   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.008   1.133   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -4.207   2.213   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.207   1.389   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.263   0.349   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.080   0.976   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       0.635   1.389   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.349   0.976   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.349   0.151   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.064  -0.262   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.778   0.151   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.778   0.976   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.064   1.389   0.000  1.00  0.00           C  
HETATM   22  F   UNL     1       3.493   1.389   0.000  1.00  0.00           F  
HETATM   23  O   UNL     1       3.493  -0.262   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       3.493  -1.087   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.778  -1.499   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.778  -2.324   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.493  -2.736   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       4.207  -2.324   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       4.207  -1.499   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.064  -2.736   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       2.476  -3.451   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       1.349  -3.149   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       1.651  -2.022   0.000  1.00  0.00           F  
CONECT    1    2    6    8                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   14                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    1    9                                                 
CONECT    9    8   10   11   12                                       
CONECT   10    9    2   13                                            
CONECT   11    9                                                      
CONECT   12    9                                                      
CONECT   13   10                                                      
CONECT   14    4   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21   22                                            
CONECT   21   20   16                                                 
CONECT   22   20                                                      
CONECT   23   19   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   26   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0N8CI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.626  -1.174   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.214  -1.889   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.389  -1.889   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.976  -1.174   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.389  -0.460   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.214  -0.460   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -5.451  -1.174   0.000  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -2.151  -1.174   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.568  -1.758   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.833  -1.383   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.962  -0.568   0.000  1.00  0.00           C  
HETATM   12  S   UNL     1      -1.776  -0.439   0.000  1.00  0.00           S  
HETATM   13  C   UNL     1      -0.062  -1.679   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.579  -1.160   0.000  1.00  0.00           N  
HETATM   15  N   UNL     1       0.450  -0.345   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.320  -0.049   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.164   0.068   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.879  -0.345   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.593   0.068   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.593   0.893   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.879   1.305   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.164   0.893   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       3.308   1.305   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       3.308  -0.345   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       4.022   0.068   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.022   0.893   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.737   1.305   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       5.451   0.893   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       5.320   1.889   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.153   1.889   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -0.534   0.748   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    4    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12   16                                            
CONECT   12   11    8                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   11   31                                            
CONECT   17   15   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   20   26                                                 
CONECT   24   19   25                                                 
CONECT   25   24                                                      
CONECT   26   23   27                                                 
CONECT   27   26   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
CONECT   31   16                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0N8CU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.720   2.888   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.720   2.062   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.006   1.650   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.291   2.062   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.291   2.888   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.006   3.300   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.006   0.825   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.720   0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.720  -0.412   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.006  -0.825   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.291  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.291   0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.006  -1.650   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.291  -2.062   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.577   1.650   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.862   2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.862   2.888   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.577   3.300   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.291  -2.888   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.577  -3.300   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.862  -2.888   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.862  -2.062   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.577  -1.650   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.148  -3.300   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       0.567  -2.888   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.281  -3.300   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.995  -2.888   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       1.995  -2.062   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       1.281  -1.650   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.567  -2.062   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.710  -1.650   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.507  -1.863   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.720  -1.067   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.923  -0.853   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   15                                            
CONECT    5    4    6   18                                            
CONECT    6    5    1                                                 
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   19   23                                            
CONECT   15    4   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17    5                                                 
CONECT   19   14   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   14                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   28   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   31                                                 
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0N8PF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429  -0.468   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.715  -0.055   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.000  -0.468   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.715  -0.055   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1      -0.715   0.770   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1       1.429  -0.468   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.143  -0.055   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.143   0.770   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.429   1.182   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.715   0.770   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.858   1.182   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       2.858   2.007   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.572   2.420   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       4.287   2.007   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       2.858  -0.468   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.944  -1.288   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.751  -1.460   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       4.164  -0.745   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1       3.612  -0.132   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       3.825   0.665   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.143  -0.055   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.858  -0.468   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.858  -1.293   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.143  -1.705   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.429  -1.293   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.572  -1.705   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -4.287  -2.118   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -3.985  -0.991   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -3.160  -2.420   0.000  1.00  0.00           F  
HETATM   30 CL   UNL     1       2.230  -1.701   0.000  1.00  0.00          Cl  
CONECT    1    2   21   25                                            
CONECT    2    1    3    5                                            
CONECT    3    2    4                                                 
CONECT    4    3    6   10                                            
CONECT    5    2                                                      
CONECT    6    4    7                                                 
CONECT    7    6    8   15                                            
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    8   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13                                                      
CONECT   15    7   16   19                                            
CONECT   16   15   17   30                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   15   20                                            
CONECT   20   19                                                      
CONECT   21    1   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24    1                                                 
CONECT   26   23   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30   16                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0N8QO
  -OEChem-09301911262D

 66 71  0     0  0  0  0  0  0999 V2000
    9.5993    3.6769    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.7472    5.0834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.1536    4.9356    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.6105    3.0648    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.9307    0.7284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3506    0.8798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.1505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3137    1.3491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -0.1505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6597    2.4391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3538    3.2354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -4.4941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.6893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9538    0.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7628    0.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5416    1.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3383    1.0362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6967    1.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9676    0.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1448    1.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6844    2.1262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9553    0.4155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -1.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2493    2.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3014    1.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570   -1.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6474    2.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0058    3.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2767    1.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -3.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9935    3.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3765    4.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2644    1.9748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6228    2.9084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3984   -0.4308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2644   -0.2937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9060    1.9691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0400    1.8320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9481    1.5180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7075    2.5897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0881    2.0881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4254   -0.0415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1695   -0.3272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5488    1.4172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8730    0.6891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2266    2.4268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4825    2.7124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9445   -0.2044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5639    0.2972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2647   -1.2931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4674   -1.2931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2696    2.9209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -2.2953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.4993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0546    1.2396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -5.0834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -3.6893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2157    4.2644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6546    1.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 39  1  0  0  0  0
  2 39  1  0  0  0  0
  3 39  1  0  0  0  0
  4 41  1  0  0  0  0
  5 27  2  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 24  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  2  0  0  0  0
 10 27  1  0  0  0  0
 10 31  1  0  0  0  0
 10 59  1  0  0  0  0
 11 25  3  0  0  0  0
 12 29  1  0  0  0  0
 12 35  2  0  0  0  0
 13 32  1  0  0  0  0
 13 37  1  0  0  0  0
 13 63  1  0  0  0  0
 14 32  2  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 21  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 46  1  0  0  0  0
 19 22  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 23  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
 21 25  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 23 55  1  0  0  0  0
 23 56  1  0  0  0  0
 24 26  2  0  0  0  0
 24 57  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 28 58  1  0  0  0  0
 29 30  2  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 31 34  2  0  0  0  0
 31 36  1  0  0  0  0
 33 37  2  0  0  0  0
 33 60  1  0  0  0  0
 34 38  1  0  0  0  0
 34 39  1  0  0  0  0
 35 61  1  0  0  0  0
 36 40  2  0  0  0  0
 36 62  1  0  0  0  0
 37 64  1  0  0  0  0
 38 41  2  0  0  0  0
 38 65  1  0  0  0  0
 40 41  1  0  0  0  0
 40 66  1  0  0  0  0
M  END

$$$$
D0N8YJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.102   0.386   0.000  1.00  0.00           N  
HETATM    2  N   UNL     1      -2.661  -0.311   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.861  -0.107   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.808   0.716   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.575   1.021   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.779   1.820   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.925   0.439   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.111   1.157   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.381   0.774   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.317   1.215   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.283   2.039   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.447   2.422   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.145   1.981   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.980   2.480   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       1.047   0.831   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.081   0.007   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.383  -0.434   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.811  -0.376   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.862  -1.200   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.600  -1.568   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.288  -1.112   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.237  -0.289   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.499   0.079   0.000  1.00  0.00           C  
HETATM   24  F   UNL     1       3.925   0.167   0.000  1.00  0.00           F  
HETATM   25  N   UNL     1      -2.993   2.617   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       0.951  -1.792   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.759  -0.403   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.759  -1.315   0.000  1.00  0.00           N  
HETATM   29  O   UNL     1       0.951  -2.617   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -1.416  -1.814   0.000  1.00  0.00           C  
CONECT    1    2    5    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   27                                            
CONECT    4    3    5    8                                            
CONECT    5    4    1    6                                            
CONECT    6    5   25                                                 
CONECT    7    1                                                      
CONECT    8    4    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11                                                      
CONECT   15   10   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19   23                                            
CONECT   19   18   20   26                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   18                                                 
CONECT   24   22                                                      
CONECT   25    6                                                      
CONECT   26   19   28   29                                            
CONECT   27    3   28                                                 
CONECT   28   27   26   30                                            
CONECT   29   26                                                      
CONECT   30   28                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0N9CV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.164   0.735   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.576   0.021   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.783   0.247   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.985   0.021   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.572   0.735   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.366   0.508   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.164   1.560   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.074   1.954   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.783   1.072   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.996  -0.549   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.711  -0.962   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.465  -0.626   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.017  -1.240   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.604  -1.954   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.797  -1.782   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1       0.142   0.323   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.857   0.735   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.571   0.323   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.571  -0.502   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       2.286   0.735   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       3.039   0.400   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.591   1.013   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.179   1.727   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.372   1.556   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.210  -0.406   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       4.017  -0.235   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    9   10                                       
CONECT    4    3    5                                                 
CONECT    5    4    6    8   16                                       
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    5    9                                            
CONECT    9    3    8                                                 
CONECT   10    3   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16    5   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   21   24                                            
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   20                                                 
CONECT   25   21   26                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0N9DS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.339   1.217   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.339   0.392   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.625  -0.021   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.090   0.392   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.090   1.217   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.625   1.629   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -2.054  -0.021   0.000  1.00  0.00          Cl  
HETATM    8  C   UNL     1       0.735  -0.123   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.539   0.061   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.897   0.804   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.539   1.548   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.735   1.731   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.551  -0.927   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.237  -1.170   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.421  -1.974   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.184  -2.535   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.973  -2.292   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.156  -1.488   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.551   2.535   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       2.054   2.193   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6   12                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    4    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   20                                            
CONECT   12   11    5   19                                            
CONECT   13    8   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   12                                                      
CONECT   20   11                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0N9FJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.566   0.082   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.148  -0.330   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.863   0.082   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       1.577  -0.330   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.292   0.082   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       0.863   0.907   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1       3.006  -0.330   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.720   0.082   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.720   0.907   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.006   1.320   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.292   0.907   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.653   0.903   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.460   1.074   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.872   0.360   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.320  -0.253   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.693   0.274   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.178   0.941   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.998   0.855   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.333   0.101   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.849  -0.566   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.028  -0.480   0.000  1.00  0.00           C  
HETATM   22  H   UNL     1      -4.184  -1.320   0.000  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.543  -1.147   0.000  1.00  0.00           H  
HETATM   24  C   UNL     1       3.178  -1.137   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       3.998  -1.223   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1       4.333  -0.470   0.000  1.00  0.00           N  
CONECT    1    2   12   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4    7   11                                            
CONECT    6    3                                                      
CONECT    7    5    8   24                                            
CONECT    8    7    9   26                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    5                                                 
CONECT   12    1   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14    1                                                 
CONECT   16   14   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   16   23                                            
CONECT   22   20                                                      
CONECT   23   21                                                      
CONECT   24    7   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25    8                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0N9GH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.857  -0.811   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.857  -1.636   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -2.049   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.428  -1.636   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.428  -0.811   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143  -0.399   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.714  -2.049   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.001  -1.636   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.001  -0.811   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.714  -0.399   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.715  -0.399   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.715   0.427   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.001   0.839   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.714   0.427   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.430  -0.811   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.144  -0.399   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.144   0.427   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.430   0.839   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.859   0.839   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.859   1.664   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.144   2.077   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.430   1.664   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.571  -2.049   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.428   0.014   0.000  1.00  0.00           C  
HETATM   25  H   UNL     1      -1.428  -2.461   0.000  1.00  0.00           H  
HETATM   26  O   UNL     1       0.001   1.664   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       0.001   0.014   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.715  -1.224   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.859   0.014   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       3.573   0.427   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       1.931   2.873   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.358   2.873   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.143  -2.873   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.573  -0.399   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1      -1.136  -0.399   0.000  1.00  0.00           N  
CONECT    1    2    6   34                                            
CONECT    2    1    3   23                                            
CONECT    3    2    4   33                                            
CONECT    4    3    5    7   25                                       
CONECT    5    4    6   10   24                                       
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11   27                                       
CONECT   10    9    5   14                                            
CONECT   11    9   12   15   28                                       
CONECT   12   11   13   18                                            
CONECT   13   12   14   26                                            
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19   29                                       
CONECT   18   17   12   22                                            
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   31   32                                       
CONECT   22   21   18                                                 
CONECT   23    2                                                      
CONECT   24    5                                                      
CONECT   25    4                                                      
CONECT   26   13                                                      
CONECT   27    9                                                      
CONECT   28   11                                                      
CONECT   29   17   30                                                 
CONECT   30   29                                                      
CONECT   31   21                                                      
CONECT   32   21                                                      
CONECT   33    3                                                      
CONECT   34   35    1                                                 
CONECT   35   34                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0N9IA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.595   0.312   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.595  -0.510   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.883  -0.921   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.172  -0.510   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.172   0.312   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.883   0.723   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.540   0.723   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.292   0.389   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.842   1.000   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.431   1.712   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.626   1.541   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.659   0.914   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.143   1.579   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.994   0.163   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.811   0.077   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       4.295   0.742   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.960   1.493   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       4.146  -0.674   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.798   2.447   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.431   3.193   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       0.626   3.388   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.024   2.885   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.024   2.063   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.443   2.158   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.308  -0.921   0.000  1.00  0.00           O  
HETATM   26  F   UNL     1      -0.883  -1.743   0.000  1.00  0.00           F  
HETATM   27  C   UNL     1      -2.308  -1.743   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.019  -2.155   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.731  -1.743   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.443  -2.155   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.443  -2.977   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.731  -3.388   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.019  -2.977   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   25                                            
CONECT    3    2    4   26                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11   19                                            
CONECT   11   10    7   23                                            
CONECT   12    9   13   14                                            
CONECT   13   12   17                                                 
CONECT   14   12   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   13   24                                            
CONECT   18   15                                                      
CONECT   19   10   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   11                                                 
CONECT   24   17                                                      
CONECT   25    2   27                                                 
CONECT   26    3                                                      
CONECT   27   25   28                                                 
CONECT   28   27   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0N9JJ
  -OEChem-04152110532D

 22 22  0     0  0  0  0  0  0999 V2000
    4.2690    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471    1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456    1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7550    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5150    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  2  6  1  0  0  0  0
  2 22  1  0  0  0  0
  3 12  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5 13  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
M  END

$$$$
D0N9JZ
  -OEChem-09301911232D

 32 34  0     0  0  0  0  0  0999 V2000
    6.7619    0.5304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -1.2017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.4691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0983   -2.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9643   -2.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3551   -2.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7564   -1.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -3.1992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4627   -3.2859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2165   -2.8508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5540   -2.0928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8182   -1.8052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9907   -2.6168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3730   -1.2414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7564   -0.6862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    1.0584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -1.7297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.4744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.1456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 19  1  0  0  0  0
  2 32  1  0  0  0  0
  3 19  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 28  1  0  0  0  0
  6 15  2  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
M  END

$$$$
D0N9RD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.723  -1.220   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.741  -2.044   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.035  -2.472   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.312  -2.075   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.294  -1.250   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.000  -0.822   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.607  -2.502   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.116  -2.105   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.134  -1.280   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.571  -0.853   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.554  -0.028   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.822  -2.533   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.857  -0.883   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.563  -1.311   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.286  -0.914   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.304  -0.089   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.598   0.339   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.875  -0.059   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.982   0.003   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.688   0.430   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.670   1.255   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.411   0.033   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1      -1.993   1.726   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.231   2.515   0.000  1.00  0.00           C  
HETATM   25  S   UNL     1      -3.055   2.533   0.000  1.00  0.00           S  
HETATM   26  C   UNL     1      -3.327   1.754   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.998  -1.340   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1       2.586  -2.055   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1       2.284  -0.928   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1       3.411  -0.626   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   19                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10   13                                            
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    8                                                      
CONECT   13    9   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   27                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19    6   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   23   26                                            
CONECT   22   20                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   15   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END

$$$$

$$$$

$$$$
D0N9WZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.238   0.089   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.423  -0.015   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.105  -0.773   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.603  -1.428   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.419  -1.323   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.736  -0.565   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.925   0.639   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.161   1.426   0.000  1.00  0.00           N  
HETATM    9  S   UNL     1      -1.485   1.895   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1      -0.831   1.397   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.103   0.621   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1      -0.044   1.633   0.000  1.00  0.00           N  
HETATM   13  S   UNL     1       0.555   1.069   0.000  1.00  0.00           S  
HETATM   14  C   UNL     1       1.153   0.506   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.964  -0.294   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.563  -0.858   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.350  -0.621   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.539   0.179   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.941   0.742   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       2.949  -1.185   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       3.736  -0.949   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       1.374  -1.658   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       0.587  -1.895   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.009   0.471   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1       1.118   1.668   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10    7                                                 
CONECT   12   10   13                                                 
CONECT   13   12   14   24   25                                       
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   22                                            
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21                                                 
CONECT   21   20                                                      
CONECT   22   16   23                                                 
CONECT   23   22                                                      
CONECT   24   13                                                      
CONECT   25   13                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0NA2Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215  -1.033   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215  -1.858   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.501  -2.270   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.786  -1.858   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.786  -1.033   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.501  -0.620   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.930  -0.620   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.644  -1.033   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.644  -1.858   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.930  -2.270   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.501   0.205   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.786   0.617   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.072   0.205   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.357   0.617   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.357   1.442   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.072   1.855   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.786   1.442   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.427   0.362   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.912   1.030   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.427   1.697   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.682   2.482   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.489   2.654   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       0.130   3.095   0.000  1.00  0.00           O  
HETATM   24  N   UNL     1       2.072   2.070   0.000  1.00  0.00           N  
HETATM   25  O   UNL     1      -5.359  -0.620   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1      -5.359  -2.270   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.359   0.205   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.359  -3.095   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.943   1.255   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.678   0.881   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.262   1.464   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.887   2.199   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.086   1.421   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.535   2.113   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.160   2.848   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.337   2.891   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1       5.359   2.070   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   11                                            
CONECT    7    1    8                                                 
CONECT    8    7    9   25                                            
CONECT    9    8   10   26                                            
CONECT   10    9    2                                                 
CONECT   11    6   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   14   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20   22   23                                            
CONECT   22   21   24                                                 
CONECT   23   21                                                      
CONECT   24   22   29   32                                            
CONECT   25    8   27                                                 
CONECT   26    9   28                                                 
CONECT   27   25                                                      
CONECT   28   26                                                      
CONECT   29   24   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   33                                            
CONECT   32   31   24   36                                            
CONECT   33   31   34                                                 
CONECT   34   33   35   37                                            
CONECT   35   34   36                                                 
CONECT   36   35   32                                                 
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0NA4O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.572   0.825   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.572   1.650   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.858   2.062   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.143   1.650   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.429   2.062   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.429   2.888   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.143   3.300   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.858   2.888   0.000  1.00  0.00           N  
HETATM   14 CL   UNL     1      -0.715   3.300   0.000  1.00  0.00          Cl  
HETATM   15  C   UNL     1      -0.715   1.650   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.628   0.830   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.179   0.658   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.591   1.373   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.039   1.986   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.398   1.544   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.653   2.329   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.101   2.942   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.294   2.770   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.143  -0.825   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.143  -1.650   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.429  -2.062   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.858  -2.062   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.429  -2.888   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.715  -3.300   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.000  -2.888   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.000  -2.062   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.715  -1.650   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       0.715  -3.300   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1       1.429  -2.888   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.143  -3.300   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1       1.429  -2.062   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1       2.858  -2.888   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       2.858  -2.062   0.000  1.00  0.00           C  
HETATM   39  N   UNL     1       3.572  -1.650   0.000  1.00  0.00           N  
HETATM   40  C   UNL     1       3.572  -0.825   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       4.287  -2.062   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   24                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11                                                      
CONECT   15   10   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   15   23                                            
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   19                                                 
CONECT   24    4   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   28   32                                            
CONECT   27   25                                                      
CONECT   28   26   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   26                                                 
CONECT   33   30   34                                                 
CONECT   34   33   35   36                                            
CONECT   35   34   37                                                 
CONECT   36   34                                                      
CONECT   37   35   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40   41                                            
CONECT   40   39                                                      
CONECT   41   39                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D0NB0V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.012  -2.575   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.298  -2.163   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.583  -2.575   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.869  -2.163   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.154  -2.575   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.440  -2.163   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.725  -2.575   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.011  -2.163   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -3.869  -1.338   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1      -1.725  -3.400   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.583  -3.400   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.440  -1.338   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.440  -0.513   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.154  -0.925   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.856  -0.754   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.296  -2.575   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.418  -2.163   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.418  -1.338   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.296  -0.925   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.011  -1.338   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.133  -0.925   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.133  -0.100   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.418   0.312   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.296  -0.100   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.418   1.137   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.296   1.550   0.000  1.00  0.00           O  
HETATM   27  N   UNL     1       1.133   1.550   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       1.133   2.375   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.800   2.860   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       1.545   3.644   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       0.720   3.644   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.465   2.860   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.296  -3.400   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       0.418  -3.813   0.000  1.00  0.00           N  
HETATM   35  O   UNL     1      -1.011  -3.813   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1       0.418  -4.638   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.296  -5.050   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.296  -5.875   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       0.418  -6.288   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       1.133  -5.875   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       1.133  -5.050   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       1.847  -6.288   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       2.562  -5.875   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       2.562  -5.050   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1       1.847  -4.638   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1       0.137   4.228   0.000  1.00  0.00           C  
HETATM   47  O   UNL     1       0.350   5.025   0.000  1.00  0.00           O  
HETATM   48  N   UNL     1      -0.660   4.014   0.000  1.00  0.00           N  
HETATM   49  C   UNL     1      -1.073   4.729   0.000  1.00  0.00           C  
HETATM   50  C   UNL     1      -0.660   5.443   0.000  1.00  0.00           C  
HETATM   51  C   UNL     1      -1.073   6.158   0.000  1.00  0.00           C  
HETATM   52  C   UNL     1      -1.897   6.158   0.000  1.00  0.00           C  
HETATM   53  C   UNL     1      -2.310   5.443   0.000  1.00  0.00           C  
HETATM   54  C   UNL     1      -1.897   4.729   0.000  1.00  0.00           C  
HETATM   55  C   UNL     1      -3.135   5.443   0.000  1.00  0.00           C  
HETATM   56  C   UNL     1      -3.547   4.729   0.000  1.00  0.00           C  
HETATM   57  C   UNL     1      -3.135   4.014   0.000  1.00  0.00           C  
HETATM   58  C   UNL     1      -2.310   4.014   0.000  1.00  0.00           C  
HETATM   59  C   UNL     1       2.129   4.228   0.000  1.00  0.00           C  
HETATM   60  O   UNL     1       1.716   4.942   0.000  1.00  0.00           O  
HETATM   61  C   UNL     1       2.954   4.228   0.000  1.00  0.00           C  
HETATM   62  C   UNL     1       3.366   3.513   0.000  1.00  0.00           C  
HETATM   63  C   UNL     1       3.366   2.688   0.000  1.00  0.00           C  
HETATM   64  C   UNL     1       4.191   3.513   0.000  1.00  0.00           C  
HETATM   65  C   UNL     1       3.950   2.930   0.000  1.00  0.00           C  
HETATM   66  N   UNL     1       3.366   4.942   0.000  1.00  0.00           N  
HETATM   67  C   UNL     1       4.191   4.942   0.000  1.00  0.00           C  
HETATM   68  C   UNL     1       4.774   5.526   0.000  1.00  0.00           C  
HETATM   69  O   UNL     1       4.774   4.359   0.000  1.00  0.00           O  
HETATM   70  N   UNL     1       5.599   5.526   0.000  1.00  0.00           N  
HETATM   71  C   UNL     1       6.012   6.240   0.000  1.00  0.00           C  
HETATM   72  C   UNL     1       4.459   6.288   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4   11                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    7   12                                            
CONECT    7    6    8   10                                            
CONECT    8    7   16   20                                            
CONECT    9    4                                                      
CONECT   10    7                                                      
CONECT   11    3                                                      
CONECT   12    6   13   14   15                                       
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15   12                                                      
CONECT   16    8   17   33                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20   24                                            
CONECT   20   19    8                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   19                                                 
CONECT   25   23   26   27                                            
CONECT   26   25                                                      
CONECT   27   25   28                                                 
CONECT   28   27   29   32                                            
CONECT   29   28   30                                                 
CONECT   30   29   31   59                                            
CONECT   31   30   32   46                                            
CONECT   32   31   28                                                 
CONECT   33   16   34   35                                            
CONECT   34   33   36                                                 
CONECT   35   33                                                      
CONECT   36   34   37   41                                            
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41   42                                            
CONECT   41   40   36   45                                            
CONECT   42   40   43                                                 
CONECT   43   42   44                                                 
CONECT   44   43   45                                                 
CONECT   45   44   41                                                 
CONECT   46   31   47   48                                            
CONECT   47   46                                                      
CONECT   48   46   49                                                 
CONECT   49   48   50   54                                            
CONECT   50   49   51                                                 
CONECT   51   50   52                                                 
CONECT   52   51   53                                                 
CONECT   53   52   54   55                                            
CONECT   54   53   49   58                                            
CONECT   55   53   56                                                 
CONECT   56   55   57                                                 
CONECT   57   56   58                                                 
CONECT   58   57   54                                                 
CONECT   59   30   60   61                                            
CONECT   60   59                                                      
CONECT   61   59   62   66                                            
CONECT   62   61   63   64   65                                       
CONECT   63   62                                                      
CONECT   64   62                                                      
CONECT   65   62                                                      
CONECT   66   61   67                                                 
CONECT   67   66   68   69                                            
CONECT   68   67   70   72                                            
CONECT   69   67                                                      
CONECT   70   68   71                                                 
CONECT   71   70                                                      
CONECT   72   68                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
M  END

$$$$
D0NB1V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.929   2.062   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.929   1.237   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215   0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501   1.237   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501   2.062   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215   2.474   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.786   0.825   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.072   1.237   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.358   0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.358  -0.000   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.357  -0.412   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.071  -0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.071   0.825   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.357   1.237   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.785   1.237   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -4.643   0.825   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -4.643  -0.000   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.929  -0.412   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -5.358  -0.412   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.929  -1.237   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.215  -1.650   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.501  -1.237   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.501  -0.412   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.215  -0.000   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.215  -2.475   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.786  -0.000   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.500   0.825   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.214   1.237   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.214   2.062   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.500   2.475   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.785   2.062   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       3.929   0.825   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       3.929  -0.000   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.643  -0.413   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1       5.358  -0.000   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1       5.358   0.825   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.643   1.237   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   16                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   26                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13    9                                                 
CONECT   15   13   27   31                                            
CONECT   16    2   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   20   24                                            
CONECT   19   17                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
CONECT   25   21                                                      
CONECT   26    7                                                      
CONECT   27   15   28                                                 
CONECT   28   27   29   32                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   15                                                 
CONECT   32   28   33   37                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   32                                                 
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0NB2K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.640   1.565   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.640   0.740   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.925   0.328   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.211   0.740   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.211   1.565   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.925   1.978   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.496   0.328   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.410  -0.493   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.397  -0.664   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.809   0.050   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.257   0.663   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.023  -1.045   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.808  -0.790   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.421  -1.342   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.249  -2.149   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.465  -2.404   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.852  -1.852   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.862  -2.701   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.630   0.136   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       2.115  -0.531   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1       1.966   0.890   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.786   0.976   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.122   1.730   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.637   2.397   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.816   2.311   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.481   1.557   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.224   3.112   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       2.637   3.826   0.000  1.00  0.00           N  
HETATM   29  O   UNL     1       1.399   3.112   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       3.433   2.611   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.017   2.027   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.814   2.241   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       5.027   3.038   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.444   3.621   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.647   3.408   0.000  1.00  0.00           C  
HETATM   36 CL   UNL     1      -3.354   1.978   0.000  1.00  0.00          Cl  
HETATM   37 CL   UNL     1      -0.496   1.978   0.000  1.00  0.00          Cl  
HETATM   38  C   UNL     1       0.733  -1.418   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.647  -2.446   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.230  -3.029   0.000  1.00  0.00           C  
HETATM   41  N   UNL     1      -5.027  -2.816   0.000  1.00  0.00           N  
HETATM   42  O   UNL     1      -4.017  -3.826   0.000  1.00  0.00           O  
CONECT    1    2    6   36                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   37                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10   38                                            
CONECT   10    9   11   19                                            
CONECT   11   10    7                                                 
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   39                                                 
CONECT   19   10   20   21                                            
CONECT   20   19                                                      
CONECT   21   19   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27   30                                       
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   24   28   29                                            
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   24   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
CONECT   36    1                                                      
CONECT   37    5                                                      
CONECT   38    9                                                      
CONECT   39   18   40                                                 
CONECT   40   39   41   42                                            
CONECT   41   40                                                      
CONECT   42   40                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D0NB5M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429   0.205   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.714  -0.208   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.001   0.205   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.715  -0.208   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       1.429   0.205   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       0.001   1.030   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1       2.144  -0.208   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.858   0.205   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.858   1.030   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.144   1.442   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.429   1.030   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       3.573  -0.208   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       4.287   0.205   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.287   1.030   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.573   1.442   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       5.002  -0.208   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.429   1.030   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.143   1.442   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.857   1.030   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.857   0.205   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.143  -0.208   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.572  -0.208   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.572  -1.033   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.857  -1.445   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.143  -1.033   0.000  1.00  0.00           C  
HETATM   26  H   UNL     1      -2.555   2.157   0.000  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.560   2.026   0.000  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.286   0.205   0.000  1.00  0.00           H  
HETATM   29  C   UNL     1       3.573  -1.033   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.287  -1.442   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -3.875  -2.157   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -5.002  -1.855   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -4.700  -0.728   0.000  1.00  0.00           F  
CONECT    1    2   17   21                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4    7   11                                            
CONECT    6    3                                                      
CONECT    7    5    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10   15                                            
CONECT   10    9   11                                                 
CONECT   11   10    5                                                 
CONECT   12    8   13   29                                            
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14    9                                                 
CONECT   16   13                                                      
CONECT   17    1   18                                                 
CONECT   18   17   19   26   27                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20    1   25                                            
CONECT   22   20   23   28                                            
CONECT   23   22   24   30                                            
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
CONECT   26   18                                                      
CONECT   27   18                                                      
CONECT   28   22                                                      
CONECT   29   12                                                      
CONECT   30   23   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0NB7Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.923  -1.460   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.923  -2.285   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.209  -2.697   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.506  -2.285   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.506  -1.460   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.209  -1.047   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.290  -2.540   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.775  -1.872   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.290  -1.205   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.545  -3.324   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.638  -2.697   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1      -0.209  -0.222   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.993  -3.937   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.352  -3.496   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.506   0.190   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.506   1.015   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.220   1.428   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.220   2.253   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.506   2.665   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.209   2.253   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.209   1.428   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.506   3.490   0.000  1.00  0.00           C  
HETATM   23  CA  UNL     1      -1.638  -3.522   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.352  -3.935   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.923  -3.935   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.923  -4.760   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.352  -4.760   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.173   3.975   0.000  1.00  0.00           C  
HETATM   29  S   UNL     1       0.918   4.760   0.000  1.00  0.00           S  
HETATM   30  C   UNL     1       0.093   4.760   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.162   3.975   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   12                                            
CONECT    7    4    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    7   13   14                                            
CONECT   11    2   23                                                 
CONECT   12    6   15                                                 
CONECT   13   10                                                      
CONECT   14   10                                                      
CONECT   15   12   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   19   28   31                                            
CONECT   23   11   25   24                                            
CONECT   24   27   23                                                 
CONECT   25   23   26                                                 
CONECT   26   25                                                      
CONECT   27   24                                                      
CONECT   28   22   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   22                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0NB7Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.340   0.411   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.340  -0.411   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.628  -0.822   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.916  -0.411   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.916   0.411   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.628   0.822   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.204  -0.822   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.492  -0.411   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.492   0.411   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.204   0.822   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.068   0.411   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.356   0.822   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.356   0.411   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       1.068   0.822   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.780   0.411   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.492   0.822   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.204   0.411   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.204  -0.411   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.492  -0.822   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.780  -0.411   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.916   0.822   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       4.628   0.411   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.628  -0.411   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.916  -0.822   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       5.340   0.822   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.780   0.822   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   26                                            
CONECT   10    9    5                                                 
CONECT   11   12   26                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19   24                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   17   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
CONECT   25   22                                                      
CONECT   26   11    9                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0ND3H
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.048  -0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.048  -1.238   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.333  -1.650   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.619  -1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.619  -0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.333   0.000   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.096  -1.650   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.810  -1.238   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.810  -0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.096   0.000   0.000  1.00  0.00           C  
HETATM   11 CL   UNL     1      -2.762   0.000   0.000  1.00  0.00          Cl  
HETATM   12  C   UNL     1       1.525   0.000   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       2.239  -0.412   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1       1.525   0.825   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1       1.525  -1.650   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.937  -2.365   0.000  1.00  0.00           C  
HETATM   17 CL   UNL     1      -1.333  -2.475   0.000  1.00  0.00          Cl  
HETATM   18  C   UNL     1       2.762  -2.365   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.108  -1.067   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.096   0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.810   1.238   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.810   2.062   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.096   2.475   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.619   2.062   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.619   1.238   0.000  1.00  0.00           C  
CONECT    1    2    6   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   17                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   15                                            
CONECT    9    8   10   12                                            
CONECT   10    9    5   20                                            
CONECT   11    1                                                      
CONECT   12    9   13   14                                            
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15    8   16   19                                            
CONECT   16   15   18                                                 
CONECT   17    3                                                      
CONECT   18   16                                                      
CONECT   19   15                                                      
CONECT   20   10   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0ND5K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.229  -0.039   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.229  -0.864   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.515  -1.276   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.801  -0.864   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.801  -0.039   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.515   0.373   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.016  -1.119   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.469  -0.452   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.016   0.216   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -1.515   1.198   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.294  -0.452   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.706  -1.166   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.239   1.000   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.944   0.373   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.944  -1.276   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.515  -2.102   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.036   1.214   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.619   0.631   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.416   0.844   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.630   1.641   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.046   2.224   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.249   2.011   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.294  -1.881   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.706  -2.595   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.531  -2.595   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       2.944  -1.881   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.531  -1.166   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.665   2.595   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       1.462   2.381   0.000  1.00  0.00           N  
CONECT    1    2    6   14                                            
CONECT    2    1    3   15                                            
CONECT    3    2    4   16                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8    5   13                                            
CONECT   10    6                                                      
CONECT   11    8   12                                                 
CONECT   12   11   23   27                                            
CONECT   13    9   17                                                 
CONECT   14    1                                                      
CONECT   15    2                                                      
CONECT   16    3                                                      
CONECT   17   13   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17   28                                            
CONECT   23   12   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   12                                                 
CONECT   28   22   29                                                 
CONECT   29   28                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0ND6T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.001  -0.001   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.001  -0.826   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.286  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.572  -0.826   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.572  -0.001   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.286   0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.857  -1.238   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.143  -0.826   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.428  -1.238   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.714  -0.826   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.001  -1.238   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.715  -0.826   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.715  -0.001   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.001   0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.714  -0.001   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.430   0.412   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       2.144  -0.001   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       2.144  -0.826   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.859   0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.573  -0.001   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.286   0.413   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       4.286   1.238   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       5.001   0.001   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21                                                      
CONECT   23   21                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0ND9W
  -OEChem-09301911282D

 37 40  0     0  0  0  0  0  0999 V2000
   13.2106   -0.6753    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1270   -0.6141    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -1.8038    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.2106   -2.4074    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2106    1.0567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.8093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2106   -0.6753    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4376    1.9459    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.6907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1270    0.9954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.3093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7106    0.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.3093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.6907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7106    0.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -0.8093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2106   -0.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -0.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7106   -1.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7106    0.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7106   -1.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7106    0.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2106   -0.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.8107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118    1.0007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9006   -1.2123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0236    2.4074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0443    2.0738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402    0.2039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4006    0.7276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -1.0809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0206   -2.0783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0206    0.7276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478   -2.5782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 17  1  0  0  0  0
  3 25  1  0  0  0  0
  4 20  1  0  0  0  0
  5 16  2  0  0  0  0
  6 11  1  0  0  0  0
  6 14  2  0  0  0  0
  7 16  1  0  0  0  0
  7 18  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  2  0  0  0  0
 12 16  1  0  0  0  0
 13 15  2  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 28  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 32  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 21 33  1  0  0  0  0
 22 25  2  0  0  0  0
 22 34  1  0  0  0  0
 23 26  2  0  0  0  0
 23 35  1  0  0  0  0
 24 26  1  0  0  0  0
 24 36  1  0  0  0  0
 25 37  1  0  0  0  0
M  END

$$$$
D0NE0N
  -OEChem-09301911132D

 30 33  0     0  0  0  0  0  0999 V2000
    6.7006    2.6854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0363   -1.7860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0577   -0.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3469    2.1473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2455   -0.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3795   -0.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1115   -0.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6425   -0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1115    0.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0476   -1.8891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3795    0.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0577    0.9905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2455    1.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6414    0.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6144   -0.8581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4527   -2.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4220   -2.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3684    1.9410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4504   -2.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8425    0.9958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2455    1.8058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2504   -1.2083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2614    0.1858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3683   -0.2890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7119   -3.2998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3836   -1.6249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0599   -3.1405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5395    2.7366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7610    1.6858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2  5  1  0  0  0  0
  2 10  1  0  0  0  0
  2 20  1  0  0  0  0
  3  7  1  0  0  0  0
  3 14  1  0  0  0  0
  3 23  1  0  0  0  0
  4 19  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 15  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 16  2  0  0  0  0
 11 13  2  0  0  0  0
 11 21  1  0  0  0  0
 12 14  2  0  0  0  0
 12 19  1  0  0  0  0
 13 22  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  1  0  0  0  0
 15 25  1  0  0  0  0
 16 18  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  2  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
M  END

$$$$
D0NE0W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.308  -0.099   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.308  -0.921   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.595  -1.332   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.883  -0.921   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.883  -0.099   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.595   0.312   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.172   0.312   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.580  -0.022   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.130   0.589   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.719   1.300   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.086   1.129   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.947   0.502   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.431   1.168   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.282  -0.248   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.099  -0.335   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.583   0.331   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.248   1.082   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.434  -1.085   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.086   2.036   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.719   2.782   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.086   2.977   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.736   2.474   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.736   1.652   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.731   1.747   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.450   2.886   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1      -2.165   2.474   0.000  1.00  0.00           F  
HETATM   27  O   UNL     1      -3.019  -1.332   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.019  -2.155   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1      -3.019  -2.977   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -2.308  -2.566   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -3.731  -2.566   0.000  1.00  0.00           F  
HETATM   32  C   UNL     1      -1.595  -2.155   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1      -1.595  -2.977   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2   27    1    3                                            
CONECT    3   32    2    4                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11   19                                            
CONECT   11   10    7   23                                            
CONECT   12    9   13   14                                            
CONECT   13   12   17                                                 
CONECT   14   12   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   13   24                                            
CONECT   18   15                                                      
CONECT   19   10   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   11                                                 
CONECT   24   17                                                      
CONECT   25   22   26                                                 
CONECT   26   25                                                      
CONECT   27   28    2                                                 
CONECT   28   29   30   31   27                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
CONECT   32   33    3                                                 
CONECT   33   32                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0NE8M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.590  -1.212   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.590  -2.035   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.122  -2.446   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.834  -2.035   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.834  -1.212   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.122  -0.801   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.546  -2.446   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.258  -2.035   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.258  -1.212   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.546  -0.801   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.970  -0.801   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       3.682  -1.212   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.302  -0.801   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.388   0.016   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.192   0.187   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.603  -0.525   0.000  1.00  0.00           C  
HETATM   17  S   UNL     1      -2.053  -1.136   0.000  1.00  0.00           S  
HETATM   18  C   UNL     1      -2.526   0.938   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.041   1.606   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.377   2.359   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.197   2.446   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.682   1.778   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.347   1.024   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       2.970   0.024   0.000  1.00  0.00           O  
CONECT    1    2    6   13                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12   24                                            
CONECT   12   11                                                      
CONECT   13    1   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   13                                                 
CONECT   18   15   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   11                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0NG2F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.157   3.915   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.789   3.386   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.481   2.620   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.342   2.677   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.542   3.477   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1      -1.590   3.586   0.000  1.00  0.00           O  
HETATM    7  O   UNL     1       1.308   3.786   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.919   1.921   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.872   2.045   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.742   1.865   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.942   1.064   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.243   0.626   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.611   1.156   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.671   1.244   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       1.371   0.806   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       2.003   1.336   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.695   2.101   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.335   2.438   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.128   2.212   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.329   1.411   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.736   0.838   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.820   1.220   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.329   1.870   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.020   2.635   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.203   2.751   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.457  -0.171   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.742  -0.583   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.155  -1.298   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.571  -1.881   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.785  -2.678   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -0.070  -3.090   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -0.070  -3.915   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       0.755  -3.915   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       1.167  -3.201   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       1.882  -2.788   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1       1.668  -1.991   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1       2.251  -1.408   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       1.668  -0.825   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       1.783   0.092   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5    9                                            
CONECT    5    4    1    7                                            
CONECT    6    2                                                      
CONECT    7    5                                                      
CONECT    8    3   10   13                                            
CONECT    9    4   14   17                                            
CONECT   10    8   11   18                                            
CONECT   11   10   12   21                                            
CONECT   12   11   13   26                                            
CONECT   13   12    8                                                 
CONECT   14    9   15                                                 
CONECT   15   14   16   39                                            
CONECT   16   15   17   22                                            
CONECT   17   16    9   25                                            
CONECT   18   10   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   11                                                 
CONECT   22   16   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   17                                                 
CONECT   26   12   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   15   38                                                 
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0NG6O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.063   0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.063   0.000   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.349  -0.412   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.635   0.000   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.635   0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.349   1.238   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.778  -0.412   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.349  -1.238   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.920  -0.412   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.206   0.000   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -0.920  -1.238   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.509  -0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.223   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.938  -0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.652   0.000   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.652   0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.938   1.238   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.223   0.825   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1       1.938  -1.238   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1       3.365  -0.411   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1       2.953  -1.126   0.000  1.00  0.00           F  
HETATM   22  F   UNL     1       2.651   0.001   0.000  1.00  0.00           F  
HETATM   23  F   UNL     1       3.778   0.303   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    3                                                      
CONECT    9    4   10   11                                            
CONECT   10    9   12                                                 
CONECT   11    9                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15   19                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   14                                                      
CONECT   20   15   21   22   23                                       
CONECT   21   20                                                      
CONECT   22   20                                                      
CONECT   23   20                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0NG8M
  -OEChem-09301911102D

 33 34  0     0  0  0  0  0  0999 V2000
    6.0010    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131   -1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116   -0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1771    3.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5571    4.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 19  1  0  0  0  0
  2 18  1  0  0  0  0
  2 33  1  0  0  0  0
  3 18  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 22  1  0  0  0  0
  5 15  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 15  1  0  0  0  0
  9 12  1  0  0  0  0
  9 23  1  0  0  0  0
 10 13  2  0  0  0  0
 10 24  1  0  0  0  0
 11 16  1  0  0  0  0
 11 18  1  0  0  0  0
 12 14  2  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  2  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END

$$$$
D0NG8Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.419   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.419  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.296  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.010  -0.412   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.010   0.412   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.296   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.725   0.825   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       2.439   0.412   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       3.154   0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.868   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.868  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       4.582  -0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       5.297  -0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       5.297   0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.582   0.825   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       1.725   1.650   0.000  1.00  0.00           O  
HETATM   17 CL   UNL     1       6.011   0.825   0.000  1.00  0.00          Cl  
HETATM   18 CL   UNL     1       4.582  -1.650   0.000  1.00  0.00          Cl  
HETATM   19  N   UNL     1      -1.133  -0.825   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.848  -0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.562  -0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.277  -0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.991  -0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.706  -0.412   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.792   0.408   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.599   0.580   0.000  1.00  0.00           N  
HETATM   27  N   UNL     1      -6.011  -0.135   0.000  1.00  0.00           N  
HETATM   28  N   UNL     1      -5.459  -0.748   0.000  1.00  0.00           N  
HETATM   29  O   UNL     1      -1.848   0.412   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   19                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   16                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   18                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   10                                                 
CONECT   16    7                                                      
CONECT   17   14                                                      
CONECT   18   12                                                      
CONECT   19    2   20                                                 
CONECT   20   19   21   29                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   24                                                 
CONECT   29   20                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0NG9V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.354   0.406   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.318  -0.418   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       3.013  -0.862   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       3.745  -0.482   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       3.782   0.343   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.087   0.786   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.659   0.850   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.279   1.582   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.835   0.886   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.226   0.330   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.560   0.578   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.169   0.021   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.991  -0.784   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.205  -1.033   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.404  -0.476   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.600  -1.341   0.000  1.00  0.00           C  
HETATM   17  F   UNL     1       0.722   2.191   0.000  1.00  0.00           F  
HETATM   18  C   UNL     1       1.722   2.277   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.342   3.009   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1      -2.387  -1.092   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.995  -1.649   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.817  -2.455   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.031  -2.704   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.422  -2.147   0.000  1.00  0.00           N  
HETATM   25  H   UNL     1      -3.782  -1.401   0.000  1.00  0.00           H  
HETATM   26  N   UNL     1       2.349   2.299   0.000  1.00  0.00           N  
HETATM   27  O   UNL     1       3.064   1.886   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.429  -3.009   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8    9                                            
CONECT    8    7    9   17   18                                       
CONECT    9    8    7   10                                            
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   20   24                                            
CONECT   17    8                                                      
CONECT   18    8   19   26                                            
CONECT   19   18                                                      
CONECT   20   16   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23   28                                            
CONECT   23   22   24                                                 
CONECT   24   23   16                                                 
CONECT   25   21                                                      
CONECT   26   18   27                                                 
CONECT   27   26                                                      
CONECT   28   22                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0NH2H
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.640   1.295   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.640   0.470   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.925   0.058   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.211   0.470   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.211   1.295   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.925   1.707   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1      -2.754  -0.749   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.934  -0.835   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.598  -0.082   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.497   1.707   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.791   0.090   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.015   0.261   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.822   0.433   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.374  -0.180   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.181  -0.009   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.436   0.776   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.884   1.389   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.077   1.217   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.733  -0.622   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       3.539  -0.450   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       4.123  -1.033   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       2.478  -1.406   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       4.336  -1.830   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.919  -1.247   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1       0.525   1.830   0.000  1.00  0.00           F  
HETATM   26  C   UNL     1      -3.306  -1.362   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.113  -1.190   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1      -4.367  -0.406   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -4.919  -1.019   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -4.696  -1.774   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    3    8   26                                            
CONECT    8    7    9                                                 
CONECT    9    8    4   11                                            
CONECT   10    5                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13   25                                            
CONECT   19   15   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   23   24                                            
CONECT   22   19                                                      
CONECT   23   21   24                                                 
CONECT   24   23   21                                                 
CONECT   25   18                                                      
CONECT   26    7   27                                                 
CONECT   27   26   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0NH2M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.072   1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.072   0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.786   0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.501   0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.501   1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.786   1.856   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1       3.215   1.856   0.000  1.00  0.00          Cl  
HETATM    8  N   UNL     1       0.357   0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.357   0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.072  -0.619   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.357  -1.031   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.357  -0.619   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.357   1.444   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.072  -1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.786  -0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.072  -1.856   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.786   0.619   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.501  -0.619   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.786  -1.031   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.215  -1.031   0.000  1.00  0.00           O  
HETATM   23 BR   UNL     1      -1.786  -1.856   0.000  1.00  0.00          Br  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    2    9   13                                            
CONECT    9    8   10   14                                            
CONECT   10    9   11   18                                            
CONECT   11   10   12   21                                            
CONECT   12   11   13                                                 
CONECT   13   12    8   15                                            
CONECT   14    9                                                      
CONECT   15   13   16   17                                            
CONECT   16   15                                                      
CONECT   17   15                                                      
CONECT   18   10   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   11   23                                            
CONECT   22   20                                                      
CONECT   23   21                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0NH9P
  -OEChem-04152110522D

 16 16  0     0  0  0  0  0  0999 V2000
    2.8660   -2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
  2 10  1  0  0  0  0
  2 16  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
M  END

$$$$
D0NI7A
  -OEChem-09301911112D

 40 44  0     0  0  0  0  0  0999 V2000
    7.8600    1.9284    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9989   -1.2387    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    1.9284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.4284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298    0.4284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836   -0.8764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836    0.7331    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6051   -2.0434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9843   -2.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5938   -2.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3990   -3.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0303   -3.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4289   -3.9284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -1.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298   -0.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.9284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    0.9284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    1.9284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939    2.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    2.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939    3.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    3.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    3.9284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5590   -2.4211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4671   -3.2141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7968   -3.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4412   -4.4396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4659   -3.5266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5395   -2.7318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2600   -4.5249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9877   -4.1968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3400    0.3458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7385    1.0360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -0.0716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7249    2.1184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5309    3.7384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7249    3.7384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    4.5484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 10  1  0  0  0  0
  2 15  1  0  0  0  0
  3 18  2  0  0  0  0
  4 15  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 18  1  0  0  0  0
  6 16  2  0  0  0  0
  6 20  1  0  0  0  0
  7 20  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 17 19  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 36  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 37  1  0  0  0  0
 23 25  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  2  0  0  0  0
 24 39  1  0  0  0  0
 25 40  1  0  0  0  0
M  END

$$$$
D0NJ0S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.358   0.503   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.272  -0.318   0.000  1.00  0.00           N  
HETATM    3  N   UNL     1      -0.465  -0.489   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.052   0.225   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.604   0.838   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.885  -0.870   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.669  -0.615   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.282  -1.167   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.111  -1.974   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.326  -2.229   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.713  -1.677   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -0.928  -1.932   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1       0.768   0.311   0.000  1.00  0.00           C  
HETATM   14  S   UNL     1       1.321  -0.302   0.000  1.00  0.00           S  
HETATM   15  C   UNL     1       2.074   0.034   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.988   0.855   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       1.181   1.026   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.072   0.915   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.072   1.740   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.787   2.153   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.501   1.740   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.501   0.915   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.787   0.503   0.000  1.00  0.00           C  
HETATM   24 CL   UNL     1      -4.216   2.153   0.000  1.00  0.00          Cl  
HETATM   25  C   UNL     1       2.789  -0.379   0.000  1.00  0.00           C  
HETATM   26  S   UNL     1      -0.432   1.645   0.000  1.00  0.00           S  
HETATM   27  O   UNL     1      -1.046   2.197   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       2.205  -0.962   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.789  -1.545   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.372  -0.962   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       0.151   2.229   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       0.282   1.233   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.501   0.036   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1       3.089   0.750   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1       4.216   0.448   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1       3.914  -0.679   0.000  1.00  0.00           F  
CONECT    1    2    5   18                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    1   26                                            
CONECT    6    2    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    6   12                                            
CONECT   12   11                                                      
CONECT   13    4   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   25                                            
CONECT   16   15   17                                                 
CONECT   17   16   13                                                 
CONECT   18    1   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   21                                                      
CONECT   25   15   28   30   33                                       
CONECT   26    5   27   31   32                                       
CONECT   27   26                                                      
CONECT   28   25   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   26                                                      
CONECT   32   26                                                      
CONECT   33   25   34   35   36                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0NJ6B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.270   0.055   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.270  -0.770   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.556  -1.182   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.841  -0.770   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.841   0.055   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.556   0.468   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.127   0.468   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.302   0.468   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.714   1.182   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.412   0.055   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.127   0.468   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.841   0.055   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.841  -0.770   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.556  -1.182   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       3.270  -0.770   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       3.270   0.055   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.556   0.468   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    8    9    5                                            
CONECT    8    7    9   10                                            
CONECT    9    8    7                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D0NJ9E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.551  -0.619   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.551  -1.444   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.837  -1.856   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.122  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.122  -0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.837  -0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.164  -1.996   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.829  -2.749   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -2.008  -2.663   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -1.837   0.619   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.122   1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.408  -1.856   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.408  -2.681   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1       0.306  -1.444   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.021  -1.856   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.408   0.619   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.306   1.031   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.306   1.856   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.408   2.269   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.122   1.856   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1      -0.408   3.094   0.000  1.00  0.00           F  
HETATM   22  C   UNL     1       1.021  -2.681   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.736  -3.094   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.450  -2.681   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.450  -1.856   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       1.736  -1.444   0.000  1.00  0.00           N  
HETATM   27  F   UNL     1       3.164  -3.094   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5   12                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   10                                            
CONECT    7    2    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    3                                                 
CONECT   10    6   11                                                 
CONECT   11   10   16   20                                            
CONECT   12    4   13   14                                            
CONECT   13   12                                                      
CONECT   14   12   15                                                 
CONECT   15   14   22   26                                            
CONECT   16   11   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   11                                                 
CONECT   21   19                                                      
CONECT   22   15   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   15                                                 
CONECT   27   24                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0NK1R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.205  -2.062   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.205  -2.888   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.491  -3.300   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.777  -2.888   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.777  -2.062   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.491  -1.650   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.992  -3.142   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.507  -2.475   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.992  -1.808   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -2.491  -0.825   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.777  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.062  -0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.348  -0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.348   0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.062   0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.777   0.412   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.062   1.650   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.777   2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.777   2.888   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.491   3.300   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.491   1.650   0.000  1.00  0.00           O  
HETATM   22  N   UNL     1       0.318  -2.475   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       0.730  -1.761   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.555  -1.761   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.968  -1.046   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.555  -0.332   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.730  -0.332   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.318  -1.046   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       1.968   0.383   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       2.793   0.383   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.205   1.097   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       2.793   1.812   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       1.968   1.812   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.555   1.097   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.205   2.526   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   22                                            
CONECT    9    8    5                                                 
CONECT   10    6   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   11                                                 
CONECT   17   15   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19                                                      
CONECT   21   18                                                      
CONECT   22    8   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   26   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   35                                            
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0NM3B
  -OEChem-09301911272D

 54 56  0     1  0  0  0  0  0999 V2000
    6.7547   -2.9120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5223    3.5130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5736   -1.1895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3883    0.0129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032   -1.4644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5897   -1.8712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2544    3.5130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6563    0.0129    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7427    0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5518   -0.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0736   -0.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5223    0.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1669   -2.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5223    1.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1724   -2.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3883    2.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2544    0.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6724   -3.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -2.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2544    1.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -3.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3883    3.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1204    0.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590   -4.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2544    4.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1204    3.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6238    0.6321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0527    0.9566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2412    0.7841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6166   -1.5982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1718   -0.9816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6588    0.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5720   -0.6879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9854    1.8230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9245   -3.6400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7913    1.8230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4903   -3.9497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0527   -1.5612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8104   -0.5240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6573   -0.2970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4304    0.5499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5525   -4.6419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2879   -5.1194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7654   -4.3840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916   -2.6361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -3.0342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -3.8154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8744    4.5130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2544    5.1330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6344    4.5130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8104    2.4760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6573    2.7030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4304    3.5499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 22  2  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  4 12  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  2  0  0  0  0
  6 19  1  0  0  0  0
  6 39  1  0  0  0  0
  7 22  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 35  1  0  0  0  0
 15 18  1  0  0  0  0
 16 20  1  0  0  0  0
 16 22  1  0  0  0  0
 17 20  2  0  0  0  0
 17 23  1  0  0  0  0
 18 19  2  0  0  0  0
 18 36  1  0  0  0  0
 19 21  1  0  0  0  0
 20 37  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 38  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
M  END

$$$$
D0NM3D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.357  -0.255   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.357   0.158   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.072  -0.255   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.786   0.158   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072   0.158   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072   0.983   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.786   1.395   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.501   0.983   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.501   0.158   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.786  -0.255   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.215  -0.255   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.215  -1.080   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.501  -1.492   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.786  -1.080   0.000  1.00  0.00           C  
HETATM   15  H   UNL     1      -3.930   0.158   0.000  1.00  0.00           H  
HETATM   16 CL   UNL     1      -3.930  -1.492   0.000  1.00  0.00          Cl  
HETATM   17  O   UNL     1       0.357   0.983   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.501  -0.255   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.215   0.158   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.215   0.983   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.501   1.395   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.786   0.983   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.501  -1.080   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.215  -1.492   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       3.930  -1.080   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       3.930  -0.255   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.215  -2.317   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.167   2.167   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.453   1.754   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.992   2.317   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.278   1.905   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3   17                                            
CONECT    3    2    4                                                 
CONECT    4    3   18   22                                            
CONECT    5    1    6   10                                            
CONECT    6    5    7                                                 
CONECT    7    6    8   28   30                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12   15                                            
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11                                                      
CONECT   16   12                                                      
CONECT   17    2                                                      
CONECT   18    4   19   23                                            
CONECT   19   18   20   26                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21    4                                                 
CONECT   23   18   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   19                                                 
CONECT   27   24                                                      
CONECT   28    7   29                                                 
CONECT   29   28                                                      
CONECT   30    7   31                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0NM6I
  -OEChem-09301911172D

 60 63  0     0  0  0  0  0  0999 V2000
    8.4993    5.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    1.0335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8564    3.7594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9639   -5.6604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.4954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101    4.2975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5339    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103   -5.1224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    1.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    3.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    2.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    1.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    3.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    2.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1886    4.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -3.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4778    5.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -3.9656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -3.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7884    6.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318   -4.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -4.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2746   -6.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6714    1.3181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5061    3.4748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0633    2.4822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2277    1.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2772    1.0325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8704    1.5648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9004    3.7604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3071    3.2281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1142    2.3106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9498    3.0906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815    0.0339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7960    4.7589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -1.4661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4983    5.0408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0916    5.5731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7144   -3.8378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.2761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815   -2.9661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.8439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.8439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3777    6.4184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9810    7.2003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1991    6.8036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8848   -4.5059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6852   -6.8036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4672   -7.2003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8639   -6.4184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 26  1  0  0  0  0
  2 18  2  0  0  0  0
  3 19  2  0  0  0  0
  4 31  1  0  0  0  0
  4 33  1  0  0  0  0
  5 12  1  0  0  0  0
  5 18  1  0  0  0  0
  5 44  1  0  0  0  0
  6 13  1  0  0  0  0
  6 19  1  0  0  0  0
  6 45  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 23  1  0  0  0  0
  8 28  2  0  0  0  0
  9 24  2  0  0  0  0
  9 28  1  0  0  0  0
 10 24  1  0  0  0  0
 10 52  1  0  0  0  0
 10 53  1  0  0  0  0
 11 31  2  0  0  0  0
 11 32  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 34  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 35  1  0  0  0  0
 14 16  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 17  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 22 46  1  0  0  0  0
 23 25  1  0  0  0  0
 25 27  2  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 31  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
 29 32  2  0  0  0  0
 29 51  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
 30 56  1  0  0  0  0
 32 57  1  0  0  0  0
 33 58  1  0  0  0  0
 33 59  1  0  0  0  0
 33 60  1  0  0  0  0
M  END

$$$$
D0NN4P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572   0.205   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572  -0.620   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.858  -1.033   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143  -0.620   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143   0.205   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.858   0.617   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.287   0.617   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.429  -1.033   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.714  -0.620   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.000  -1.033   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.714  -0.620   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.714   0.205   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -4.373   1.438   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -5.180   1.609   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -5.593   0.895   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -5.040   0.282   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.429  -1.033   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.143  -0.620   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.143   0.205   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.429   0.617   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.714   0.205   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.429   1.442   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.143   1.855   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       2.858   1.442   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       2.858   0.617   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1       3.572   1.855   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       4.287   1.442   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.373   0.622   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       5.180   0.450   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       5.593   1.165   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.041   1.778   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1      -4.287  -1.033   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.287  -1.855   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       0.000   0.617   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1       0.712   1.028   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2   32    1    3                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1   13   16                                            
CONECT    8    4    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11                                                 
CONECT   11   10   17   21                                            
CONECT   12   34    9                                                 
CONECT   13    7   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15    7                                                 
CONECT   17   11   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   11                                                 
CONECT   22   20   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   27                                                 
CONECT   32   33    2                                                 
CONECT   33   32                                                      
CONECT   34   35   12                                                 
CONECT   35   34                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0NN4U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.072   1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.072   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.357   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.357   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.357   1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.357   1.650   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.072   0.000   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.072  -0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.786   0.412   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       1.786   1.238   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       2.501   0.000   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.501  -0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.786   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.786  -0.825   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.501   0.412   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.501  -1.238   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.501  -2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.786  -2.475   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.072  -2.062   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.072  -1.238   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.357   2.475   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   21                                            
CONECT    7    4    8    9                                            
CONECT    8    7                                                      
CONECT    9    7   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   12                                                 
CONECT   12   11                                                      
CONECT   13    2   14   15                                            
CONECT   14   13   16   20                                            
CONECT   15   13                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   14                                                 
CONECT   21    6                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0NO7V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930  -0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930  -1.238   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215  -1.650   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501  -1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501  -0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215   0.000   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.786  -1.650   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.072  -1.238   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.072  -0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.786   0.000   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.786   0.825   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.072   1.238   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.357   0.825   0.000  1.00  0.00           N  
HETATM   14  O   UNL     1      -1.072   2.062   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       0.357   1.238   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.072   0.825   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.786   1.238   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.786   2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.072   2.475   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.357   2.062   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.501   0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.501   0.000   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.215  -0.412   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       3.930   0.000   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       3.930   0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.215   1.238   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -3.215  -2.475   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   27                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   15                                                 
CONECT   14   12                                                      
CONECT   15   13   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   17   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27    3                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0NP2W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.110  -1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.110  -2.062   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.395  -2.475   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.681  -2.062   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.681  -1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.395  -0.825   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.896  -2.317   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.411  -1.650   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.896  -0.983   0.000  1.00  0.00           N  
HETATM   10 CL   UNL     1      -3.824  -0.825   0.000  1.00  0.00          Cl  
HETATM   11  N   UNL     1      -2.395   0.000   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.110   0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.110   1.238   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.824   1.650   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.539   1.238   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.539   0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.824   0.000   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.038   0.853   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.395   1.650   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.681   1.238   0.000  1.00  0.00           N  
HETATM   21  O   UNL     1      -2.395   2.475   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       0.414  -1.650   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.826  -2.364   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.651  -2.364   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.064  -1.650   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.651  -0.936   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.826  -0.936   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       2.889  -1.650   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       3.301  -2.364   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.126  -2.364   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       4.539  -1.650   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       4.126  -0.936   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.301  -0.936   0.000  1.00  0.00           C  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   22                                            
CONECT    9    8    5                                                 
CONECT   10    1                                                      
CONECT   11    6   12                                                 
CONECT   12   13   17   11                                            
CONECT   13   12   14   19                                            
CONECT   14   13   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   18                                            
CONECT   18   14   17                                                 
CONECT   19   13   20   21                                            
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22    8   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   25   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0NQ6N
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.098   0.481   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.885  -0.316   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.088  -0.529   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.504   0.054   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.718   0.851   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.515   1.065   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.713  -1.264   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.898  -1.135   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.769  -0.320   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.034   0.054   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.342  -0.395   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.607  -0.021   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.085  -0.470   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.820  -0.095   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.041  -1.294   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.512  -0.545   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.247  -0.170   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.939  -0.619   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.674  -0.245   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.717   0.579   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.025   1.028   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.290   0.654   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.315  -1.719   0.000  1.00  0.00           C  
HETATM   24  F   UNL     1      -2.896  -2.300   0.000  1.00  0.00           F  
HETATM   25  F   UNL     1      -1.734  -2.300   0.000  1.00  0.00           F  
HETATM   26  F   UNL     1      -1.734  -1.137   0.000  1.00  0.00           F  
HETATM   27  O   UNL     1       3.068   1.852   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       2.379   2.300   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       4.452   0.953   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       4.495   1.774   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       4.366  -0.694   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       5.098  -0.321   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8   23    7    9                                            
CONECT    9    8    4   10                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13   16                                                 
CONECT   15   13                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   31   18   20                                            
CONECT   20   29   19   21                                            
CONECT   21   27   20   22                                            
CONECT   22   21   17                                                 
CONECT   23   24   25   26    8                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23                                                      
CONECT   27   28   21                                                 
CONECT   28   27                                                      
CONECT   29   30   20                                                 
CONECT   30   29                                                      
CONECT   31   32   19                                                 
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0NR2A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.421   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.421  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.706  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.992  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.992   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.706   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.278   0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.437   0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.437  -0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.151  -0.825   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.866  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.866   0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.151   0.825   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       2.651  -0.667   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       3.135   0.000   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       2.651   0.667   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1      -3.135  -0.825   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1      -0.278  -0.825   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   17                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   18                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13   16                                            
CONECT   13   12    8                                                 
CONECT   14   11   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   12                                                 
CONECT   17    2                                                      
CONECT   18    4                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D0NS6I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.280   0.290   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.077   0.077   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.120  -0.747   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.350  -1.043   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.830  -0.402   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.034  -0.615   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.681  -0.203   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.506  -0.203   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.919   0.512   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.506   1.226   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.681   1.226   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.269   0.512   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       2.725   0.683   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       2.812   1.504   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       2.058   1.839   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.812  -1.196   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.136  -1.839   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1      -2.718   0.596   0.000  1.00  0.00           N  
CONECT    1    2    5                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4   16                                            
CONECT    4    3    5   17                                            
CONECT    5    4    1    6                                            
CONECT    6    5    7                                                 
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    9   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    3                                                      
CONECT   17    4                                                      
CONECT   18    2                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D0NS6S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.308  -1.422   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.022  -1.010   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.737  -1.422   0.000  1.00  0.00           N  
HETATM    4  O   UNL     1       1.022  -0.185   0.000  1.00  0.00           O  
HETATM    5  C   UNL     1       2.451  -1.010   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.166  -1.422   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.880  -1.010   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.880  -0.185   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       3.166   0.228   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       2.451  -0.185   0.000  1.00  0.00           C  
HETATM   11  F   UNL     1       4.595   0.228   0.000  1.00  0.00           F  
HETATM   12  N   UNL     1      -0.446  -1.087   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.998  -1.700   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.585  -2.414   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.222  -2.243   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.617  -0.280   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.004   0.272   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.176   1.079   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.960   1.334   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.573   0.782   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.402  -0.025   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       0.309   1.747   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.176   2.414   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.960   2.159   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.358   1.037   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.971   0.485   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -3.778   0.657   0.000  1.00  0.00           N  
HETATM   28  N   UNL     1      -4.191  -0.058   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.639  -0.671   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.885  -0.335   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.810  -1.478   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.197  -2.030   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.595  -1.733   0.000  1.00  0.00           C  
CONECT    1    2   12   15                                            
CONECT    2    1    3    4                                            
CONECT    3    2    5                                                 
CONECT    4    2                                                      
CONECT    5    3    6   10                                            
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    8                                                      
CONECT   12    1   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    1                                                 
CONECT   16   12   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21   25                                            
CONECT   21   20   16                                                 
CONECT   22   18   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   20   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29   26                                                 
CONECT   31   29   32   33                                            
CONECT   32   31                                                      
CONECT   33   31                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0NS7W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.866   0.718   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.866  -0.107   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.151  -0.520   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.437  -0.107   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.437   0.718   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.151   1.130   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.651   0.973   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.135   0.305   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.651  -0.362   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.905   1.757   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.278  -0.520   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.278  -1.345   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.992  -1.757   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.706  -1.345   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.706  -0.520   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.992  -0.107   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.421  -0.107   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.421   0.718   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.135  -0.520   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.151   1.543   0.000  1.00  0.00           N1+
HETATM   21  O   UNL     1      -0.437   1.130   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1      -1.866   1.130   0.000  1.00  0.00           O1-
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   11                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   20                                            
CONECT    7    1    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    7                                                      
CONECT   11    4   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   11                                                 
CONECT   17   15   18   19                                            
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20    6   21   22                                            
CONECT   21   20                                                      
CONECT   22   20                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0NT2S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.285   0.013   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.285  -0.812   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.571  -1.224   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.856  -0.812   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.856   0.013   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.571   0.426   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.142  -1.224   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.427  -0.812   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.427   0.013   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.142   0.426   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.970  -2.031   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.150  -2.117   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.186  -1.364   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.263  -2.832   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.993  -1.192   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       1.248  -0.407   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1       1.545  -1.805   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.290  -2.590   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.842  -3.203   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.015   0.728   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.810   0.728   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.015   1.553   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.142   1.251   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       0.700   1.965   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.700   2.790   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.015   3.203   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.729   2.790   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.729   1.965   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.223   0.013   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.048   0.013   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       2.460   0.728   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       2.048   1.442   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.223   1.442   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.285   0.728   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10   20                                            
CONECT   10    9    5   23                                            
CONECT   11    7   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    8   15                                            
CONECT   14   12                                                      
CONECT   15   13   16   17                                            
CONECT   16   15                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18                                                      
CONECT   20    9   21   22                                            
CONECT   21   20   29   33                                            
CONECT   22   20   24   28                                            
CONECT   23   10                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   22                                                 
CONECT   29   21   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   21                                                 
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0NT3V
  -OEChem-09301911202D

 61 65  0     1  0  0  0  0  0999 V2000
   11.4410   -0.2600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.9376   -1.1279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9443    0.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2247    0.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    0.4585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5730   -0.7566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0908    0.9827    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9568    0.4827    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0908    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2588    0.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9659   -0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8228    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9568    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8228    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9568   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7168    0.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7089   -0.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6228    0.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7420   -0.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4538    0.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7168    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6228    2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8228   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8228   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6888   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6888   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5549   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3089    0.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5549   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0908    0.3627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4937    0.1727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8787    2.5653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4802    1.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4193    1.3404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6600    0.9020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8055   -1.0821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5648   -0.6437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4011   -0.0640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8395   -0.8233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3553    2.9576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5583    2.9576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3462   -0.4097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7447   -1.0999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6256   -0.8677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7096   -0.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1425   -0.6666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9002   -1.1079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0533    0.8718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2957    1.3131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7096    3.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1586    2.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5706   -1.3766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2859   -2.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6888    0.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6888   -3.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0918   -0.7073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6168   -0.3014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8470    0.5446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0010    0.7748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0918   -2.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  6  1  0  0  0  0
  1 29  1  0  0  0  0
  7  4  1  1  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 18  1  0  0  0  0
  6 53  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 31  1  0  0  0  0
  8 12  1  0  0  0  0
  8 16  1  1  0  0  0
  8 32  1  0  0  0  0
  9 14  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 13  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 13  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 15  2  0  0  0  0
 12 17  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 22  1  0  0  0  0
 16 24  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 19  2  0  0  0  0
 17 46  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 45  1  0  0  0  0
 19 23  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 22 23  2  0  0  0  0
 22 51  1  0  0  0  0
 23 52  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 54  1  0  0  0  0
 26 28  2  0  0  0  0
 26 55  1  0  0  0  0
 27 30  2  0  0  0  0
 27 56  1  0  0  0  0
 28 30  1  0  0  0  0
 28 57  1  0  0  0  0
 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
 29 60  1  0  0  0  0
 30 61  1  0  0  0  0
M  END

$$$$
D0NT8N
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.134  -1.567   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.134  -2.389   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.422  -2.800   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.710  -2.389   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.710  -1.567   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.422  -1.155   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.998  -1.155   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.286  -1.567   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.574  -1.155   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.862  -1.567   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.150  -1.155   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.150  -0.333   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.862   0.078   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.574  -0.333   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.562   0.078   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.313  -0.257   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.863   0.354   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.452   1.066   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1       0.648   0.895   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.681   0.268   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.037   1.446   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.015  -0.483   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.833  -0.569   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.316   0.097   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.982   0.848   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.164   0.933   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       0.208   2.250   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -0.403   2.800   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.185   2.546   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.356   1.742   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -0.745   1.191   0.000  1.00  0.00           N  
HETATM   32  F   UNL     1       5.134   0.011   0.000  1.00  0.00           F  
HETATM   33  C   UNL     1      -3.211  -0.359   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1      -4.005  -0.146   0.000  1.00  0.00           O  
HETATM   35  O   UNL     1      -2.630   0.223   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7   33    5    8                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   15   21                                            
CONECT   20   17   22   26                                            
CONECT   21   19   27   31                                            
CONECT   22   20   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   32                                            
CONECT   25   24   26                                                 
CONECT   26   25   20                                                 
CONECT   27   21   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   21                                                 
CONECT   32   24                                                      
CONECT   33   34   35    7                                            
CONECT   34   33                                                      
CONECT   35   33                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0NT8U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.646   2.643   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.648   1.821   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       3.362   1.413   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       4.072   1.826   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       4.069   2.648   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.356   3.057   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.863   2.895   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1       1.382   2.228   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.867   1.564   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.616   0.782   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.835   0.525   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.838  -0.297   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       1.621  -0.549   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1       2.102   0.118   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.175  -0.783   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.578  -0.451   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.241  -0.937   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.152  -1.754   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.400  -2.086   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.263  -1.600   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.816  -2.240   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.568  -1.908   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1      -1.727  -3.057   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.657  -1.091   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.409  -0.759   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.072  -1.244   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.984  -2.062   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.231  -2.393   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    2   10                                            
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   12   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22   23                                            
CONECT   22   21   24   28                                            
CONECT   23   21                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   22                                                 
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0NV2M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.099   1.600   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.099   0.775   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.814   0.363   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       2.528   0.775   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.528   1.600   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.814   2.013   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.385   0.363   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.330   0.775   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.330   1.600   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.044   2.013   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.758   1.600   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.758   0.775   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.044   0.363   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.526   0.474   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.770  -0.315   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.305  -0.996   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.482  -1.058   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.921  -0.453   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.717  -1.711   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.542  -1.711   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.955  -2.425   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.542  -3.140   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.717  -3.140   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.305  -2.425   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.480  -2.425   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1      -0.655  -2.425   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1      -1.480  -1.600   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -1.480  -3.250   0.000  1.00  0.00           F  
HETATM   29  C   UNL     1      -1.044   2.838   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.758   3.250   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.330   3.250   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.240   2.013   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1       2.828   2.727   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       3.955   2.425   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1       3.653   1.298   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   32                                            
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   29                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    8   18                                            
CONECT   14   12   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19   25                                            
CONECT   25   24   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
CONECT   29   10   30   31                                            
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32    5   33   34   35                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0NW8W
  -OEChem-09301911242D

 57 59  0     1  0  0  0  0  0999 V2000
    3.7320    1.6900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.8100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    1.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    6.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    6.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.1900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7050    3.5404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9550    3.5405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7141    5.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0891    6.3395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9462    4.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5712    4.0405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9550    6.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7050    6.8396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5712    6.3395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9462    5.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5980    4.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3481    3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9731    2.5405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0825    3.0650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3815    6.0650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2165    0.5650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2476    0.5650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2165    6.5650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2165   -1.1850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2476   -1.1850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1160   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4910   -2.1605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3815   -3.9350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3505   -3.9350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3815   -5.6850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3505   -5.6850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1  9  1  0  0  0  0
  1 19  1  0  0  0  0
  2 31  1  0  0  0  0
  3 18  2  0  0  0  0
  6 10  1  0  0  0  0
  6 49  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 45  1  0  0  0  0
 10 18  1  0  0  0  0
 10 46  1  0  0  0  0
 11 13  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 14  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 15  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 42  1  6  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 47  1  0  0  0  0
 21 23  2  0  0  0  0
 21 48  1  0  0  0  0
 22 24  2  0  0  0  0
 22 50  1  0  0  0  0
 23 24  1  0  0  0  0
 23 51  1  0  0  0  0
 25 26  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 54  1  0  0  0  0
 28 30  2  0  0  0  0
 28 55  1  0  0  0  0
 29 31  2  0  0  0  0
 29 56  1  0  0  0  0
 30 31  1  0  0  0  0
 30 57  1  0  0  0  0
M  END

$$$$
D0NX4W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.265   0.084   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.440   0.080   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.027   0.794   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.798   0.794   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.053   1.579   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.385   2.064   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.282   1.579   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.210   0.080   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.035   0.080   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.448  -0.635   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.448   0.794   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.749   0.752   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.534   0.498   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.534  -0.327   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1      -1.749  -0.583   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1      -3.248   0.910   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.963   0.498   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.963  -0.327   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.248  -0.740   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1      -4.677  -0.740   0.000  1.00  0.00           F  
HETATM   21  C   UNL     1       2.035  -1.349   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.448  -2.064   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.273  -2.064   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.685  -1.349   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.273  -0.635   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       3.685   0.080   0.000  1.00  0.00           N  
HETATM   27  N   UNL     1       4.506   0.166   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       4.677   0.973   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.963   1.385   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.350   0.833   0.000  1.00  0.00           C  
CONECT    1    2   12   15                                            
CONECT    2    1    3                                                 
CONECT    3    4    7    2                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    3                                                 
CONECT    8    9    4                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   21   25                                            
CONECT   11    9                                                      
CONECT   12    1   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   19                                            
CONECT   15   14    1                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   14                                                 
CONECT   20   18                                                      
CONECT   21   10   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   10   26                                            
CONECT   26   25   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   26                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0NX6B
  -OEChem-09301911252D

 77 80  0     1  0  0  0  0  0999 V2000
    3.7320    0.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.5000    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   10.6603    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7942    2.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5263    2.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7942    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1836    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5822    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7383    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1369    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382    3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182    1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382    6.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182    4.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -4.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -6.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -6.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -4.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 36  1  0  0  0  0
  2 22  1  0  0  0  0
  2 27  1  0  0  0  0
  3 22  2  0  0  0  0
  4 26  2  0  0  0  0
  5 38  2  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 20  1  0  0  0  0
 14  7  1  6  0  0  0
  7 22  1  0  0  0  0
  7 53  1  0  0  0  0
 16  8  1  6  0  0  0
  8 54  1  0  0  0  0
  8 55  1  0  0  0  0
  9 21  1  0  0  0  0
  9 26  1  0  0  0  0
  9 59  1  0  0  0  0
 10 24  2  0  0  0  0
 10 25  1  0  0  0  0
 11 28  1  0  0  0  0
 11 30  2  0  0  0  0
 12 29  1  0  0  0  0
 12 65  1  0  0  0  0
 12 66  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 69  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 43  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  1  6  0  0  0
 15 44  1  0  0  0  0
 16 18  1  0  0  0  0
 16 45  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 50  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 20 21  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 56  1  0  0  0  0
 24 57  1  0  0  0  0
 25 58  1  0  0  0  0
 26 28  1  0  0  0  0
 27 60  1  0  0  0  0
 27 61  1  0  0  0  0
 27 62  1  0  0  0  0
 28 29  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 31 32  2  0  0  0  0
 31 63  1  0  0  0  0
 32 64  1  0  0  0  0
 33 34  1  0  0  0  0
 33 36  2  0  0  0  0
 34 35  2  0  0  0  0
 34 67  1  0  0  0  0
 35 38  1  0  0  0  0
 35 39  1  0  0  0  0
 36 40  1  0  0  0  0
 37 41  1  0  0  0  0
 37 42  1  0  0  0  0
 37 68  1  0  0  0  0
 39 40  2  0  0  0  0
 39 70  1  0  0  0  0
 40 71  1  0  0  0  0
 41 72  1  0  0  0  0
 41 73  1  0  0  0  0
 41 74  1  0  0  0  0
 42 75  1  0  0  0  0
 42 76  1  0  0  0  0
 42 77  1  0  0  0  0
M  END

$$$$
D0NY3W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -8.675   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.960   1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.246   1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.531   1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.817   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.102   1.444   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.388   1.031   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.673   1.444   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.959   1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.959   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.244  -0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.530   0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.530   1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.244   1.444   0.000  1.00  0.00           C  
HETATM   15  F   UNL     1      -0.815   1.444   0.000  1.00  0.00           F  
HETATM   16  N   UNL     1      -0.815  -0.206   0.000  1.00  0.00           N  
HETATM   17  S   UNL     1      -0.101   0.206   0.000  1.00  0.00           S  
HETATM   18  C   UNL     1       0.614  -0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.614  -1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.328  -1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.042  -1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.042  -0.206   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.328   0.206   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.827  -1.286   0.000  1.00  0.00           C  
HETATM   25 NA   UNL     1       3.312  -0.619   0.000  1.00  0.00          Na  
HETATM   26  C   UNL     1       2.827   0.049   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.137  -0.619   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       4.550  -1.333   0.000  1.00  0.00           O  
HETATM   29  N   UNL     1       4.550   0.096   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       5.375   0.096   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.787  -0.619   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       6.612  -0.619   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       7.025   0.096   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       6.612   0.810   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       5.787   0.810   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       7.850   0.096   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       8.262  -0.619   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       8.262   0.810   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       8.675   0.096   0.000  1.00  0.00           C  
HETATM   40  O   UNL     1      -0.684   0.790   0.000  1.00  0.00           O  
HETATM   41  O   UNL     1       0.614   0.619   0.000  1.00  0.00           O  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14   15                                            
CONECT   14   13    9                                                 
CONECT   15   13                                                      
CONECT   16   12   17                                                 
CONECT   17   16   18   40   41                                       
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23   26                                            
CONECT   23   22   18                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   22                                                 
CONECT   27   25   28   29                                            
CONECT   28   27                                                      
CONECT   29   27   30                                                 
CONECT   30   29   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   36                                            
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
CONECT   36   33   37   38   39                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   36                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D0NY4A
  -OEChem-09301911252D

 63 66  0     0  0  0  0  0  0999 V2000
   10.1603   -4.7182    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -4.3522    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.1603   -2.9862    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9852    1.2356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.8522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.8522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.8522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5309    4.6137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -3.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6032    1.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2942    2.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2942    2.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7064    2.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7119    2.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1132    3.9092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1241    3.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5254    4.7182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    0.1228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.1228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -1.7445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -2.4348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067   -0.9599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082   -0.2696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -2.8272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -2.8272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.1228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.1228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -1.3272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -1.3272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -3.6622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -2.0422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -4.4722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913   -0.5422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.3153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.1622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.3891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    0.6478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    0.6478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1929    1.0440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6587    2.6882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4597    2.3247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7298    3.9740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5075    3.6353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7776    5.2846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 25  1  0  0  0  0
  3 25  1  0  0  0  0
  4 27  1  0  0  0  0
  4 29  1  0  0  0  0
  5 26  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 15  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 18  1  0  0  0  0
  9 26  1  0  0  0  0
  9 51  1  0  0  0  0
 10 34  2  0  0  0  0
 10 35  1  0  0  0  0
 11 13  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 14  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 17  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 48  1  0  0  0  0
 20 22  2  0  0  0  0
 20 49  1  0  0  0  0
 21 22  1  0  0  0  0
 21 50  1  0  0  0  0
 22 25  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 23 54  1  0  0  0  0
 24 55  1  0  0  0  0
 24 56  1  0  0  0  0
 24 57  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 30  1  0  0  0  0
 28 58  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 59  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 60  1  0  0  0  0
 33 35  2  0  0  0  0
 33 61  1  0  0  0  0
 34 62  1  0  0  0  0
 35 63  1  0  0  0  0
M  END

$$$$
D0NY6M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429   0.940   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.429   0.115   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.714  -0.298   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.000   0.115   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.000   0.940   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.714   1.352   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.143  -0.298   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.858   0.115   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -2.143  -1.123   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.858   0.940   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.143   1.352   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.572   1.352   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.858   1.765   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.714   1.352   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.429   0.940   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.429   0.115   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.143  -0.298   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.858   0.115   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.858   0.940   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.143   1.352   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.471   1.492   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.135   2.246   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.315   2.159   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       1.763   2.773   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       2.143  -1.123   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.429  -1.535   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.429  -2.360   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.143  -2.773   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.858  -2.360   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.858  -1.535   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       0.714  -1.123   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       3.572  -1.123   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   14                                            
CONECT    6    5    1                                                 
CONECT    7    2    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   12   13                                       
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13   10                                                      
CONECT   14    5   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   25                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   15   23                                            
CONECT   21   19   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   20   24                                            
CONECT   24   23                                                      
CONECT   25   17   26   30                                            
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25   32                                            
CONECT   31   26                                                      
CONECT   32   30                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0NY7M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.229   0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.229  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.515  -0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.801  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.801   0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.515   1.031   0.000  1.00  0.00           C  
HETATM    7 BR   UNL     1      -1.515   1.856   0.000  1.00  0.00          Br  
HETATM    8 BR   UNL     1      -2.944   1.031   0.000  1.00  0.00          Br  
HETATM    9 BR   UNL     1      -2.944  -0.619   0.000  1.00  0.00          Br  
HETATM   10  C   UNL     1       0.469   0.206   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.016   0.874   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.515  -1.444   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.801  -1.856   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.086  -1.444   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.086  -0.619   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1       1.294   0.206   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.706  -0.508   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.531  -0.508   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.944   0.206   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.531   0.921   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.706   0.921   0.000  1.00  0.00           C  
CONECT    1    2    6    8                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   12                                            
CONECT    4    3    5   15                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    1                                                      
CONECT    9    2                                                      
CONECT   10   11   15   16                                            
CONECT   11   10    5                                                 
CONECT   12    3   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    4   10                                            
CONECT   16   10   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0O0AW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.286   1.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.286   1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.571   0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.857   1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.857   1.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.571   2.268   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.143   0.619   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.429   1.031   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.714   0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.714  -0.206   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.000  -0.619   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.714  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.714   0.619   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.000   1.031   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.429   1.031   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -5.000   0.619   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -5.000  -0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.286  -0.619   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -5.714  -0.619   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.286  -1.443   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.571  -1.856   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.857  -1.443   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.857  -0.619   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.571  -0.206   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.571  -2.681   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.143   0.619   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.857   1.031   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.857   1.856   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.143   2.268   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.429   1.856   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       3.571   2.268   0.000  1.00  0.00           N  
HETATM   33  F   UNL     1      -4.286  -3.093   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -3.571  -3.505   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -2.857  -3.093   0.000  1.00  0.00           F  
HETATM   36  C   UNL     1       4.286   1.856   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       5.000   2.268   0.000  1.00  0.00           C  
HETATM   38  N   UNL     1       5.000   3.093   0.000  1.00  0.00           N  
HETATM   39  C   UNL     1       4.286   3.505   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       3.571   3.093   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       5.714   3.505   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   16                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   26                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13    9                                                 
CONECT   15   13   27   31                                            
CONECT   16    2   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   20   24                                            
CONECT   19   17                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
CONECT   25   21   33   34   35                                       
CONECT   26    7                                                      
CONECT   27   15   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   15                                                 
CONECT   32   29   36   40                                            
CONECT   33   25                                                      
CONECT   34   25                                                      
CONECT   35   25                                                      
CONECT   36   32   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39   41                                            
CONECT   39   38   40                                                 
CONECT   40   39   32                                                 
CONECT   41   38                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D0O0GZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.717  -0.959   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.717  -1.784   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.002  -2.197   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.288  -1.784   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.288  -0.959   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.002  -0.547   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.427  -0.547   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.141  -0.959   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1       0.427   0.279   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.856  -0.547   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.609  -0.882   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1       3.162  -0.269   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.749   0.445   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.942   0.274   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.431  -0.546   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.781  -1.689   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.168  -2.241   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.339  -3.048   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.124  -3.303   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.737  -2.751   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.565  -1.944   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.517   0.274   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1      -3.324   0.446   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.737  -0.269   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.185  -0.882   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.004   1.230   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.452   1.843   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.645   1.672   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       1.390   0.887   0.000  1.00  0.00           N  
HETATM   30  F   UNL     1       0.427  -2.197   0.000  1.00  0.00           F  
HETATM   31  C   UNL     1       2.707   2.628   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       2.155   3.241   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       3.514   2.799   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.660   1.199   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.921   3.425   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.432  -2.197   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1      -1.723  -3.425   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1      -3.660  -2.906   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1      -3.141  -0.969   0.000  1.00  0.00           F  
CONECT    1    2    6   15                                            
CONECT    2    1    3   36                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   30                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   14                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   26                                            
CONECT   14   13   10   29                                            
CONECT   15    1   22   25                                            
CONECT   16   11   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   15   23                                                 
CONECT   23   22   24   34                                            
CONECT   24   23   25                                                 
CONECT   25   24   15                                                 
CONECT   26   13   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   14                                                 
CONECT   30    4                                                      
CONECT   31   27   32   33   35                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   23                                                      
CONECT   35   31                                                      
CONECT   36   37   38   39    2                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   36                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END

$$$$

$$$$

$$$$
D0O0OD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.988  -0.874   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.988  -1.699   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.274  -2.111   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.559  -1.699   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.559  -0.874   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.274  -0.461   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.845  -2.111   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.130  -1.699   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.130  -0.874   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.845  -0.461   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.416  -0.461   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.416   0.364   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.130   0.776   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.845   0.364   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.369  -0.716   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.854  -0.049   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.369   0.619   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.639   0.206   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.639   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.854   1.286   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.559  -0.049   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.702  -2.111   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.330   1.184   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.271   1.870   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       0.854   2.111   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       2.306   1.516   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.060   1.181   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       1.852   1.828   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1       2.519   0.719   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       3.273   1.978   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.885   1.181   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.098   1.978   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.297   0.466   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       4.702   1.288   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   22                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10   21                                       
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12   15                                            
CONECT   12   11   13   17   23                                       
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   12   20                                            
CONECT   18   16                                                      
CONECT   19   20   26   28                                            
CONECT   20   19   17   24   25                                       
CONECT   21    5                                                      
CONECT   22    2                                                      
CONECT   23   12                                                      
CONECT   24   20                                                      
CONECT   25   20                                                      
CONECT   26   19   27   29                                            
CONECT   27   26   30   31                                            
CONECT   28   19                                                      
CONECT   29   26                                                      
CONECT   30   27                                                      
CONECT   31   27   32   33   34                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0O0RB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.412  -0.262   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.412  -1.087   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.127  -1.499   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.841  -1.087   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.841  -0.262   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.127   0.151   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.302   0.151   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.016  -0.262   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.016  -1.087   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.302  -1.499   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.731  -1.499   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.445  -1.087   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.160  -1.499   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.445  -0.262   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       2.556   0.151   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.270  -0.262   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.985   0.151   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.985   0.976   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.270   1.389   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.556   0.976   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.270  -1.087   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       3.270   2.213   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.985  -1.499   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.572  -2.213   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   15                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    2                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   23   24                                            
CONECT   14   12                                                      
CONECT   15    5   16   20                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   15                                                 
CONECT   21   16                                                      
CONECT   22   19                                                      
CONECT   23   13   24                                                 
CONECT   24   23   13                                                 
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0O0UG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.240   0.385   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.526   0.798   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.811   0.385   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.097   0.798   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.618   0.385   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       1.332   0.798   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1       2.047   0.385   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.526   1.623   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       2.047  -0.440   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.761  -0.852   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.476  -0.440   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.476   0.385   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.761   0.798   0.000  1.00  0.00           C  
HETATM   14  F   UNL     1       2.761  -1.677   0.000  1.00  0.00           F  
HETATM   15  F   UNL     1       4.190   0.798   0.000  1.00  0.00           F  
HETATM   16  C   UNL     1       4.190  -0.852   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.905  -1.265   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       4.688  -0.140   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.778  -1.567   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.994   0.721   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.546   0.108   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1      -3.133  -0.607   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.326  -0.435   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.249   1.506   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.056   1.677   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.608   1.064   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.353   0.279   0.000  1.00  0.00           C  
HETATM   28  H   UNL     1      -4.905  -0.334   0.000  1.00  0.00           H  
CONECT    1    2   20   23                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    9   13                                            
CONECT    8    2                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13   15                                            
CONECT   13   12    7                                                 
CONECT   14   10                                                      
CONECT   15   12                                                      
CONECT   16   11   17   18   19                                       
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19   16                                                      
CONECT   20    1   21   24                                            
CONECT   21   20   22   27                                            
CONECT   22   21   23                                                 
CONECT   23   22    1                                                 
CONECT   24   20   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   21   28                                            
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0O0YI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.942   1.751   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.942   0.926   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       3.656   0.514   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       4.370   0.926   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       4.370   1.751   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.656   2.164   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       2.227   2.164   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       3.656  -0.311   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       4.370  -0.724   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1       2.942  -0.724   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       5.085  -0.311   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.512   1.751   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.798   2.164   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.084   1.751   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.084   0.926   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.798   0.514   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.512   0.926   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.631   0.514   0.000  1.00  0.00           N  
HETATM   19  F   UNL     1       0.798  -0.311   0.000  1.00  0.00           F  
HETATM   20  C   UNL     1      -1.345   0.926   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.060   0.514   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1      -1.345   1.751   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.774   0.926   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.988   1.723   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.812   1.766   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -4.107   0.996   0.000  1.00  0.00           N  
HETATM   27  N   UNL     1      -3.466   0.477   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -4.261   2.458   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.085   2.415   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.886   3.193   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.673   3.173   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.509  -0.347   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.245  -0.722   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.288  -1.546   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.596  -1.995   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.861  -1.620   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.817  -0.796   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.023  -1.920   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.066  -2.744   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.374  -3.193   0.000  1.00  0.00           C  
HETATM   41  N   UNL     1      -3.639  -2.819   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1   12                                                 
CONECT    8    3    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9                                                      
CONECT   12    7   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17   19                                            
CONECT   17   16   12                                                 
CONECT   18   15   20                                                 
CONECT   19   16                                                      
CONECT   20   18   21   22                                            
CONECT   21   20   23                                                 
CONECT   22   20                                                      
CONECT   23   21   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   23   32                                            
CONECT   28   25   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
CONECT   32   27   33   37                                            
CONECT   33   32   34                                                 
CONECT   34   33   35   38                                            
CONECT   35   34   36   41                                            
CONECT   36   35   37                                                 
CONECT   37   36   32                                                 
CONECT   38   34   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41                                                 
CONECT   41   40   35                                                 
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D0O1LX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.854   0.423   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.854  -0.402   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.140  -0.814   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.425  -0.402   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.425   0.423   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.140   0.836   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.289   0.836   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.004   0.423   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.718   0.836   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.433   0.423   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.147   0.836   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       0.289   1.661   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.569  -0.814   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.322  -0.478   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.874  -1.091   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.462  -1.806   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1      -2.655  -1.635   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       2.131   1.550   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.306   1.550   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.901   0.500   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.453   1.114   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.040   1.828   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.233   1.657   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.114  -0.296   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.901  -1.093   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.698  -0.880   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.698  -1.003   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1      -4.698  -0.178   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -3.873  -1.003   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -4.698  -1.828   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   18   19                                       
CONECT   10    9   11                                                 
CONECT   11   10   20   23                                            
CONECT   12    7                                                      
CONECT   13    2   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   27                                            
CONECT   16   15   17                                                 
CONECT   17   16   13                                                 
CONECT   18    9   19                                                 
CONECT   19   18    9                                                 
CONECT   20   11   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   11                                                 
CONECT   24   20   25   26                                            
CONECT   25   24   26                                                 
CONECT   26   25   24                                                 
CONECT   27   15   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0O1NA
  -OEChem-09301911142D

 57 59  0     1  0  0  0  0  0999 V2000
    3.7320    1.1900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.6900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981    2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7050    3.0404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9550    3.0405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7141    5.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0891    5.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9462    4.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5712    3.5405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9550    6.3395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7050    6.3396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5712    5.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9462    5.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5980    4.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3481    2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9731    2.0405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0825    2.5650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3815    5.5650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2165    0.0650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2476    0.0650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2165    6.0650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2165   -1.6850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2476   -1.6850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1160   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4910   -2.6605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3505   -4.4350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3815   -4.4350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3505   -6.1850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3815   -6.1850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -7.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  8  1  0  0  0  0
  1 18  1  0  0  0  0
  2 17  2  0  0  0  0
  5  9  1  0  0  0  0
  5 48  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 44  1  0  0  0  0
  9 17  1  0  0  0  0
  9 45  1  0  0  0  0
 10 12  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 13  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 14  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 41  1  6  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 46  1  0  0  0  0
 20 22  2  0  0  0  0
 20 47  1  0  0  0  0
 21 23  2  0  0  0  0
 21 49  1  0  0  0  0
 22 23  1  0  0  0  0
 22 50  1  0  0  0  0
 24 25  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 53  1  0  0  0  0
 27 29  2  0  0  0  0
 27 54  1  0  0  0  0
 28 30  2  0  0  0  0
 28 55  1  0  0  0  0
 29 30  1  0  0  0  0
 29 56  1  0  0  0  0
 30 57  1  0  0  0  0
M  END

$$$$
D0O1RL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.845   1.007   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.845   0.182   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.131  -0.230   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.416   0.182   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.416   1.007   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.131   1.420   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.630   1.262   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.115   0.595   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.630  -0.072   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.885   2.047   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.131  -1.055   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.702  -0.230   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.987   0.182   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.273  -0.230   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.273  -1.055   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.442  -1.468   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.156  -1.055   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.156  -0.230   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.442   0.182   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.242  -1.876   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.049  -2.047   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.462  -1.333   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.910  -0.719   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       2.081   0.088   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       3.282  -1.246   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.834  -1.859   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       4.588  -1.524   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       4.502  -0.703   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.695  -0.532   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       5.115  -0.151   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1      -1.702  -1.055   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   11                                            
CONECT    4    3    5   12                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    7                                                      
CONECT   11    3                                                      
CONECT   12    4   13   31                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20   23                                       
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   17   24                                            
CONECT   24   23                                                      
CONECT   25   22   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28   25                                                 
CONECT   30   28                                                      
CONECT   31   12                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0O2DY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215   2.324   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215   1.499   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.501   1.087   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.786   1.499   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.786   2.324   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.501   2.736   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -1.072   2.736   0.000  1.00  0.00           S  
HETATM    8  N   UNL     1      -1.072   1.087   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -1.484   3.451   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1      -0.659   2.022   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1      -0.357   3.149   0.000  1.00  0.00           N  
HETATM   12  S   UNL     1      -1.072   0.262   0.000  1.00  0.00           S  
HETATM   13  O   UNL     1      -1.897   0.262   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1      -0.247   0.262   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.072  -0.564   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.786  -0.976   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.786  -1.801   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.072  -2.213   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.357  -1.801   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.357  -0.976   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.357  -2.213   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.357  -3.038   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       1.072  -3.451   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.786  -3.038   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.786  -2.213   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.072  -1.801   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       2.501  -3.451   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       3.215  -3.038   0.000  1.00  0.00           C  
HETATM   29 CL   UNL     1       2.501  -1.801   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    9   10   11                                       
CONECT    8    4   12                                                 
CONECT    9    7                                                      
CONECT   10    7                                                      
CONECT   11    7                                                      
CONECT   12    8   13   14   15                                       
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15   12   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   15                                                 
CONECT   21   19   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26   29                                            
CONECT   26   25   21                                                 
CONECT   27   24   28                                                 
CONECT   28   27                                                      
CONECT   29   25                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0O2EF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215   1.341   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215   0.516   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.500   0.103   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.786   0.516   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.786   1.341   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.500   1.753   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.071   0.103   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.357   0.516   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.357   0.103   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.357  -0.722   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.072  -1.134   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.786  -0.722   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.786   0.103   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.072   0.516   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.501  -1.134   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.501  -1.959   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.215  -2.372   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.930  -1.959   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.930  -1.134   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.215  -0.722   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.357   1.341   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1      -3.573   1.959   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.858   1.547   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.143   2.372   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.429   1.959   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.930   0.516   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.215   0.103   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       1.072   0.928   0.000  1.00  0.00           N1+
HETATM   29  O   UNL     1       1.786   0.516   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       0.357   0.516   0.000  1.00  0.00           O1-
CONECT    1    2    6   22                                            
CONECT    2    1    3   26                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   24                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   21                                            
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9   28                                            
CONECT   15   12   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21    8                                                      
CONECT   22    1   23                                                 
CONECT   23   22                                                      
CONECT   24    6   25                                                 
CONECT   25   24                                                      
CONECT   26    2   27                                                 
CONECT   27   26                                                      
CONECT   28   14   29   30                                            
CONECT   29   28                                                      
CONECT   30   28                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0O2EN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.239  -0.095   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.651  -0.809   0.000  1.00  0.00           N  
HETATM    3  N   UNL     1      -5.099  -1.422   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.346  -1.087   0.000  1.00  0.00           C  
HETATM    5  S   UNL     1      -4.432  -0.266   0.000  1.00  0.00           S  
HETATM    6  C   UNL     1      -5.574   0.659   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.371   0.873   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.631  -1.499   0.000  1.00  0.00           N  
HETATM    9  S   UNL     1      -2.917  -1.087   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1      -2.202  -0.674   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.329  -0.372   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -2.504  -1.801   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.488  -1.087   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.773  -0.674   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.773   0.151   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.488   0.563   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.202   0.151   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.059   0.563   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       0.656   0.151   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.370   0.563   0.000  1.00  0.00           N  
HETATM   21  S   UNL     1       0.656  -0.674   0.000  1.00  0.00           S  
HETATM   22  C   UNL     1       2.085   0.151   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.799   0.563   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       2.085  -0.674   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       3.513   0.151   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.228   0.563   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.942   0.151   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.657   0.563   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.657   1.388   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.942   1.801   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.228   1.388   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1       6.371   1.801   0.000  1.00  0.00           F  
CONECT    1    2    5    6                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    1                                                 
CONECT    6    1    7                                                 
CONECT    7    6                                                      
CONECT    8    4    9                                                 
CONECT    9    8   10   11   12                                       
CONECT   10    9   13   17                                            
CONECT   11    9                                                      
CONECT   12    9                                                      
CONECT   13   10   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   10                                                 
CONECT   18   15   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   22                                                 
CONECT   21   19                                                      
CONECT   22   20   23   24                                            
CONECT   23   22   25                                                 
CONECT   24   22                                                      
CONECT   25   23   26                                                 
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0O2HW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.900   1.600   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.900   0.775   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       3.615   0.363   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       4.329   0.775   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       4.329   1.600   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.615   2.013   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       2.186   2.013   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       1.471   1.600   0.000  1.00  0.00           C  
HETATM    9 XX   UNL     1       3.615  -0.462   0.000  1.00  0.00          Xx  
HETATM   10  N   UNL     1       4.329  -0.875   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1       2.900  -0.875   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.757   2.013   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.042   1.600   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.042   0.775   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.757   0.363   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.471   0.775   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.672   0.363   0.000  1.00  0.00           N  
HETATM   18  F   UNL     1       0.757  -0.462   0.000  1.00  0.00           F  
HETATM   19  C   UNL     1      -1.387   0.775   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.387   1.600   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1      -2.101   0.363   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.816   0.775   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.029   1.572   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.853   1.615   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.149   0.845   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1      -3.507   0.326   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.302   2.307   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.928   3.042   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.126   2.264   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.715   3.022   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.507  -0.499   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.222  -0.912   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.222  -1.737   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.507  -2.149   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.793  -1.737   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.793  -0.912   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.835  -2.289   0.000  1.00  0.00           C  
HETATM   38  N   UNL     1      -4.499  -3.042   0.000  1.00  0.00           N  
HETATM   39  N   UNL     1      -3.679  -2.956   0.000  1.00  0.00           N  
HETATM   40  C   UNL     1       5.126  -0.661   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7   12   16                                            
CONECT    9    3   10   11                                            
CONECT   10    9   40                                                 
CONECT   11    9                                                      
CONECT   12    8   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16   18                                            
CONECT   16   15    8                                                 
CONECT   17   14   19                                                 
CONECT   18   15                                                      
CONECT   19   17   20   21                                            
CONECT   20   19                                                      
CONECT   21   19   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   22   31                                            
CONECT   27   24   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
CONECT   31   26   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34   37                                            
CONECT   34   33   35   39                                            
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
CONECT   37   33   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   34                                                 
CONECT   40   10                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0O2TY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.353  -0.757   0.000  1.00  0.00           C  
HETATM    2  S   UNL     1      -1.638  -0.345   0.000  1.00  0.00           S  
HETATM    3  C   UNL     1      -0.924   0.068   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.209  -0.345   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.505   0.068   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       1.220  -0.345   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       1.934   0.068   0.000  1.00  0.00           C  
HETATM    8  S   UNL     1       2.688  -0.268   0.000  1.00  0.00           S  
HETATM    9  C   UNL     1       3.240   0.345   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       2.827   1.060   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1       2.020   0.888   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       4.056   0.150   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       4.250   0.928   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.386  -0.531   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.833   0.345   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.505   0.892   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1      -2.051   0.369   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1      -1.226  -1.060   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.622  -1.060   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.203  -1.060   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.067  -0.345   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.782  -0.757   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.496  -0.345   0.000  1.00  0.00           C  
HETATM   24  F   UNL     1      -4.496   0.480   0.000  1.00  0.00           F  
HETATM   25  F   UNL     1      -5.211   0.068   0.000  1.00  0.00           F  
HETATM   26  F   UNL     1      -5.211  -0.757   0.000  1.00  0.00           F  
HETATM   27  O   UNL     1       5.211  -0.536   0.000  1.00  0.00           O  
CONECT    1    2   21                                                 
CONECT    2    1    3   17   18                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   19   20                                       
CONECT    5    4    6   16                                            
CONECT    6    5    7                                                 
CONECT    7    6    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11                                                 
CONECT   11   10    7                                                 
CONECT   12    9   13   14   15                                       
CONECT   13   12                                                      
CONECT   14   12   27                                                 
CONECT   15   12                                                      
CONECT   16    5                                                      
CONECT   17    2                                                      
CONECT   18    2                                                      
CONECT   19    4                                                      
CONECT   20    4                                                      
CONECT   21    1   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25   26                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23                                                      
CONECT   27   14                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0O3BR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.367   0.702   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.082   1.114   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.796   0.702   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.796  -0.123   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.082  -0.536   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.367  -0.123   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.653  -0.536   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.062  -0.123   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.776  -0.536   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.491  -0.123   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.491   0.702   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.776   1.114   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.062   0.702   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.205  -0.536   0.000  1.00  0.00           C  
HETATM   15 CL   UNL     1      -3.511   1.114   0.000  1.00  0.00          Cl  
HETATM   16  C   UNL     1       2.291  -1.356   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.098  -1.528   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       3.511  -0.813   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1       2.959  -0.200   0.000  1.00  0.00           N  
HETATM   20 BR   UNL     1       1.708  -1.939   0.000  1.00  0.00          Br  
HETATM   21  C   UNL     1       3.172   0.597   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       2.205   1.114   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       2.205   1.939   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   15                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12   22                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   16   19                                            
CONECT   15    3                                                      
CONECT   16   14   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14   21                                            
CONECT   20   16                                                      
CONECT   21   19                                                      
CONECT   22   11   23                                                 
CONECT   23   22                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0O3JR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143  -1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.287   0.206   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1      -4.287  -1.444   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.001  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.429   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.715  -0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.000   0.206   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.715  -0.206   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.429   0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.143  -0.206   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.000   1.031   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       2.858   0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.572  -0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.287   0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.287   1.031   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.572   1.444   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.858   1.031   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       5.001   1.444   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       5.001  -0.206   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   10                                            
CONECT    7    2    9                                                 
CONECT    8    3                                                      
CONECT    9    7                                                      
CONECT   10    6   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   17                                                 
CONECT   16   12                                                      
CONECT   17   15   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   20                                                      
CONECT   24   19                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0O3KN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.071   1.701   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.071   0.876   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.356   0.463   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.358   0.876   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.358   1.701   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.356   2.113   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.073   0.463   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.787   0.876   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.787   1.701   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.073   2.113   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.073   2.938   0.000  1.00  0.00           N  
HETATM   12  S   UNL     1       0.358   3.351   0.000  1.00  0.00           S  
HETATM   13  O   UNL     1       0.771   4.065   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1      -0.054   2.636   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.356   3.763   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.356   4.588   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.071   5.001   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.785   4.588   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.785   3.763   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.071   3.351   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.500   5.001   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.358   5.001   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.071   2.526   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.787   3.351   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       1.073  -0.362   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       0.358  -0.774   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.356  -0.362   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.071  -0.774   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.071  -1.599   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.785  -0.362   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       0.358  -1.599   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.356  -2.012   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.356  -2.837   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       0.358  -3.249   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.073  -2.837   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       1.073  -2.012   0.000  1.00  0.00           C  
HETATM   37  N   UNL     1      -0.179  -5.001   0.000  1.00  0.00           N  
HETATM   38  C   UNL     1      -0.893  -4.588   0.000  1.00  0.00           C  
HETATM   39  O   UNL     1      -0.893  -3.763   0.000  1.00  0.00           O  
HETATM   40  C   UNL     1      -1.608  -5.001   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       2.500   2.527   0.000  1.00  0.00           C  
HETATM   42  O   UNL     1       2.500   3.352   0.000  1.00  0.00           O  
HETATM   43  O   UNL     1       1.785   2.115   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   25                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   12   24                                            
CONECT   12   11   13   14   15                                       
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15   12   16   20                                            
CONECT   16   15   17   22                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15   23                                            
CONECT   21   18                                                      
CONECT   22   16                                                      
CONECT   23   20                                                      
CONECT   24   11   41                                                 
CONECT   25    7   26                                                 
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   26   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   37                                            
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
CONECT   37   34   38                                                 
CONECT   38   37   39   40                                            
CONECT   39   38                                                      
CONECT   40   38                                                      
CONECT   41   24   42   43                                            
CONECT   42   41                                                      
CONECT   43   41                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
M  END

$$$$
D0O3TG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.072   1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.072   0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.786   0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.501   0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.501   1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.786   1.856   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1       3.215   1.856   0.000  1.00  0.00          Cl  
HETATM    8  N   UNL     1       0.357   0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.357   0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.072  -0.619   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.357  -1.031   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.357  -0.619   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.357   1.444   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.072  -1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.786  -0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.072  -1.856   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.786   0.619   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.501  -0.619   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.786  -1.031   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.215  -1.031   0.000  1.00  0.00           N  
HETATM   23 CL   UNL     1      -1.786  -1.856   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    2    9   13                                            
CONECT    9    8   10   14                                            
CONECT   10    9   11   18                                            
CONECT   11   10   12   21                                            
CONECT   12   11   13                                                 
CONECT   13   12    8   15                                            
CONECT   14    9                                                      
CONECT   15   13   16   17                                            
CONECT   16   15                                                      
CONECT   17   15                                                      
CONECT   18   10   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   11   23                                            
CONECT   22   20                                                      
CONECT   23   21                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0O4KM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.206  -0.357   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.206  -1.072   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.031  -1.072   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.444  -0.357   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.031   0.357   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.206   0.357   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.031  -0.357   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.856  -0.357   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.681  -0.357   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.094   0.357   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.919   0.357   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.331  -0.357   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.919  -1.072   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.094  -1.072   0.000  1.00  0.00           C  
HETATM   15 CL   UNL     1      -4.331   1.072   0.000  1.00  0.00          Cl  
HETATM   16  C   UNL     1       2.269  -0.357   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.681  -1.072   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.681   0.357   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.506   0.357   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.919  -0.357   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.919   1.072   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.331   0.357   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.544   0.509   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.830   0.922   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   11                                                      
CONECT   16    4   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19   24                                            
CONECT   19   18   20   21   22                                       
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   19                                                      
CONECT   23   24                                                      
CONECT   24   18   23                                                 
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0O4ML
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.711   0.043   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.711  -0.782   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.997  -1.195   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.282  -0.782   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.282   0.043   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.997   0.455   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.498  -1.037   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.013  -0.370   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.498   0.298   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.243   1.082   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1      -1.243  -1.822   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1      -0.429   0.213   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.429  -0.953   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.643  -1.750   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.060  -2.333   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.737  -2.120   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.951  -1.323   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.367  -0.740   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.367   0.000   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.951   0.583   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.737   1.380   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.060   1.594   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.643   1.010   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.321   1.964   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.118   1.750   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.331   0.953   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.128   0.740   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.711   1.323   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.498   2.120   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.701   2.333   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       1.748   0.370   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       1.961  -0.427   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12   13                                       
CONECT    9    8    5   10                                            
CONECT   10    9                                                      
CONECT   11    7                                                      
CONECT   12    8   19   23                                            
CONECT   13    8   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   12   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   12                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   26   32                                                 
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0O4QB
  -OEChem-10111523472D

 24 24  0     0  0  0  0  0  0999 V2000
    4.2690    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116   -1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131   -0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4450    1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250    3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2  8  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  9 17  1  0  0  0  0
 10 12  2  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END

$$$$
D0O4RN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.651   0.768   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.365   1.181   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.936   1.181   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.936   2.006   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.651   2.418   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.365   2.006   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -1.222   0.768   0.000  1.00  0.00           S  
HETATM    8  O   UNL     1      -0.809   1.483   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1      -1.634   0.054   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1      -0.507   0.356   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.507  -0.469   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.207  -0.882   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.921  -0.469   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.921   0.356   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.207   0.768   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.636  -0.882   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.350  -0.469   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -4.080   0.768   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.636  -1.707   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.350  -2.119   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.350  -2.944   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.065  -3.357   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.779  -2.944   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.779  -2.119   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.065  -1.707   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.905   0.768   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.492   0.054   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.652   3.245   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1      -3.477   3.245   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -2.652   4.070   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -1.827   3.245   0.000  1.00  0.00           F  
HETATM   32  C   UNL     1       4.492  -3.355   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1       4.080  -4.070   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       3.778  -2.943   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1       4.905  -2.641   0.000  1.00  0.00           F  
CONECT    1    2    3                                                 
CONECT    2    1    6   18                                            
CONECT    3    1    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   28                                            
CONECT    6    5    2                                                 
CONECT    7    3    8    9   10                                       
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    7   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   19                                            
CONECT   17   16                                                      
CONECT   18    2   26   27                                            
CONECT   19   16   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   32                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   18   27                                                 
CONECT   27   26   18                                                 
CONECT   28    5   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
CONECT   32   23   33   34   35                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0O4RX
  -OEChem-09301911252D

 52 56  0     1  0  0  0  0  0999 V2000
    5.2904    3.3083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.3914    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9084    0.5993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744   -5.4396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1404   -3.9396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4084   -2.9396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5367    1.9210    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3325    2.9000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5868    2.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4084   -0.9396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2029    1.1753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5994   -0.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5424   -1.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744   -1.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2174   -0.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6452    3.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9084    0.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5424   -2.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744   -2.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2234    1.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8810    0.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5840   -0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6241    4.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9789    4.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4084   -3.9396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9368    5.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2916    5.5454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744   -4.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2706    5.7496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0902    2.2004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9515    2.8651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0997    2.6173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2936    1.6874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3303   -0.8569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9318   -1.5472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8850   -1.5472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4865   -0.8569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5274   -0.8887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7838   -0.0996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9318   -2.3319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3303   -3.0222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4865   -3.0222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8850   -2.3319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4218    1.9714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2751    0.0534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3992   -1.1758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7978   -3.8319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1964   -4.5222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5438    5.1304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8785    6.0078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4644    6.3385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8114   -5.7496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3 15  1  0  0  0  0
  3 17  1  0  0  0  0
  4 28  1  0  0  0  0
  4 52  1  0  0  0  0
  5 28  2  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  8 31  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 20  2  0  0  0  0
 11 21  1  0  0  0  0
 12 17  2  0  0  0  0
 12 22  1  0  0  0  0
 13 18  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 19  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 23  2  0  0  0  0
 16 24  1  0  0  0  0
 17 20  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 22  2  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 28  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 26 29  2  0  0  0  0
 26 49  1  0  0  0  0
 27 29  1  0  0  0  0
 27 50  1  0  0  0  0
 29 51  1  0  0  0  0
M  END

$$$$
D0O4TA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.929   2.474   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.929   1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215   1.237   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.500   1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.500   2.474   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215   2.887   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.786   1.237   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.072   1.650   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.357   1.237   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.357   0.412   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.357   0.000   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.071   0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.071   1.237   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.357   1.650   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.786   1.650   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -4.643   1.237   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -4.643   0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.929   0.000   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -5.357   0.000   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.929  -0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.215  -1.237   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.500  -0.825   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.500   0.000   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.215   0.412   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.215  -2.062   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.786   0.412   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.500   1.237   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.214   1.650   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.214   2.474   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.500   2.887   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.786   2.474   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1      -3.929  -2.474   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -3.215  -2.887   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -2.500  -2.474   0.000  1.00  0.00           F  
HETATM   35  N   UNL     1       3.929   1.237   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1       3.929   0.412   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.643  -0.000   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1       5.357   0.412   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1       5.357   1.237   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       4.643   1.650   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   16                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   26                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13    9                                                 
CONECT   15   13   27   31                                            
CONECT   16    2   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   20   24                                            
CONECT   19   17                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
CONECT   25   21   32   33   34                                       
CONECT   26    7                                                      
CONECT   27   15   28                                                 
CONECT   28   27   29   35                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   15                                                 
CONECT   32   25                                                      
CONECT   33   25                                                      
CONECT   34   25                                                      
CONECT   35   28   36   40                                            
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   35                                                 
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0O5IA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.072  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.072  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.357  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.357  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.357  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.357  -0.412   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.072  -2.062   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.786  -1.650   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.786  -0.825   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.072  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.786  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.786   0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.501   0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.215   0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.215  -0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.501  -0.825   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.930   0.825   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       1.072   0.412   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.786   0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.501   0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.215   0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.215   1.650   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.501   2.062   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.786   1.650   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       3.930   0.412   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.501   1.650   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.213   2.061   0.000  1.00  0.00           C  
CONECT    1    2    6   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   18                                            
CONECT   11    1   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   26   12   14                                            
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   14                                                      
CONECT   18   10   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   21                                                      
CONECT   26   27   13                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0O5TC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.001   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.001   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.287   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.572   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.572   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.287   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.858   0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.858  -0.412   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.143  -0.825   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.429   0.412   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.143   0.825   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.714  -0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.000   0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.714   0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.572  -0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.287  -0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.001  -0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.001  -1.650   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.287  -2.062   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.572  -1.650   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       0.714   0.825   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.429   0.413   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.143   0.825   0.000  1.00  0.00           N  
HETATM   26  O   UNL     1       1.429  -0.412   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       2.858   0.413   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.858  -0.412   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.572  -0.825   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.287  -0.412   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.287   0.413   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.572   0.825   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       5.001   0.825   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       5.001   1.650   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.287   2.062   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.572   1.650   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9   17                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12   16                                            
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   23                                            
CONECT   16   15   11                                                 
CONECT   17    8   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   15   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   27                                                 
CONECT   26   24                                                      
CONECT   27   25   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   33                                            
CONECT   32   31   27   36                                            
CONECT   33   31   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   32                                                 
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END

$$$$

$$$$

$$$$
D0O5ZK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.429   0.206   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.429  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.715  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.000   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.715   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.715   1.444   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.429   1.856   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.715  -1.031   0.000  1.00  0.00           C  
HETATM   10  S   UNL     1       1.429  -0.619   0.000  1.00  0.00           S  
HETATM   11  N   UNL     1       0.715  -1.856   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7                                                      
CONECT    9    4   10   11                                            
CONECT   10    9                                                      
CONECT   11    9                                                      
MASTER        0    0    0    0    0    0    0    0   11    0   11    0
END
M  END

$$$$
D0O6GQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       3.324   2.643   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       3.327   1.821   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       4.040   1.413   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       4.751   1.826   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       4.748   2.648   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       4.034   3.057   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.541   2.895   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1       2.060   2.228   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.546   1.564   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.295   0.782   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.514   0.525   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.516  -0.297   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       2.299  -0.549   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1       2.780   0.118   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.853  -0.783   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.101  -0.451   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.563  -0.937   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.474  -1.754   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.278  -2.086   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.942  -1.600   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.137  -2.240   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.889  -1.908   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1      -1.048  -3.057   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.978  -1.091   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.731  -0.759   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.394  -1.244   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.305  -2.062   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.553  -2.393   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.731   0.066   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -3.445   0.479   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -3.531   1.299   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.338   1.471   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.751   0.756   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.199   0.143   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    2   10                                            
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   12   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22   23                                            
CONECT   22   21   24   28                                            
CONECT   23   21                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   22                                                 
CONECT   29   25   30                                                 
CONECT   30   29   31   34                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   30                                                 
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0O6LL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.786   1.031   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.501   1.444   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.215   1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.215   0.206   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.930  -0.206   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.644   0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.930  -1.031   0.000  1.00  0.00           C  
HETATM   14  S   UNL     1      -0.357   0.206   0.000  1.00  0.00           S  
HETATM   15  N   UNL     1       0.357  -0.206   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.072   0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.501   0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.215  -0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.930   0.206   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       4.644  -0.206   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1      -0.770   0.921   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       0.226   0.790   0.000  1.00  0.00           O  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   14                                            
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    1   11                                            
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14    5   15   22   23                                       
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20                                                      
CONECT   22   14                                                      
CONECT   23   14                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0O6LW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.000  -0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.000  -1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.715  -1.856   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.429  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.429  -0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.715  -0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.715  -0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.715   0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.429   1.031   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.429   1.856   0.000  1.00  0.00           O1-
HETATM   11  O   UNL     1      -2.143   0.619   0.000  1.00  0.00           O  
HETATM   12 CL   UNL     1       2.143  -1.856   0.000  1.00  0.00          Cl  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   12                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9                                                      
CONECT   11    9                                                      
CONECT   12    4                                                      
MASTER        0    0    0    0    0    0    0    0   12    0   12    0
END
M  END

$$$$
D0O6SJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.888  -0.296   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.475  -1.010   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.650  -1.010   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.238  -0.296   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.650   0.419   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.475   0.419   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.412  -0.296   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.000   0.419   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.000  -1.010   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.825  -1.010   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.238  -1.725   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.062  -1.725   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.475  -1.010   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.062  -0.296   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.238  -0.296   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.300  -1.010   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.712  -1.725   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       3.712  -0.296   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       3.300   0.419   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       0.821   0.505   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.992   1.312   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       0.278   1.725   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1      -0.336   1.173   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       1.746   1.648   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1      -3.712  -0.296   0.000  1.00  0.00           F  
CONECT    1    2    6   25                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   20   23                                            
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18                                                      
CONECT   20    8   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22    8                                                 
CONECT   24   21                                                      
CONECT   25    1                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0O6TG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.877   0.137   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.289  -0.578   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.114  -0.578   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.527   0.137   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.114   0.851   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.289   0.851   0.000  1.00  0.00           C  
HETATM    7  H   UNL     1       2.527   1.565   0.000  1.00  0.00           H  
HETATM    8  O   UNL     1      -2.073   0.479   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.319   0.145   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.403  -0.675   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.210  -0.849   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.624  -0.135   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.621  -1.564   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.446  -1.565   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.860  -0.852   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.449  -0.137   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.605   0.559   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.110   0.148   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1      -0.607   1.384   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       3.146   0.192   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       3.860  -0.221   0.000  1.00  0.00           O  
CONECT    1    2    6   18                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   20                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    9   12                                                 
CONECT    9    8   10   17                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11    8   16                                            
CONECT   13   14   11                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   12                                                 
CONECT   17    9   18   19                                            
CONECT   18   17    1                                                 
CONECT   19   17                                                      
CONECT   20    4   21                                                 
CONECT   21   20                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0O6VU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.129   0.420   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.332   0.633   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.749   0.050   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.048   0.264   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.763  -0.149   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.175   0.566   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.461   0.978   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       1.972   0.779   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       2.555   0.196   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.342  -0.601   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.925  -1.184   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.722  -0.971   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.936  -0.174   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.352   0.409   0.000  1.00  0.00           C  
HETATM   15  F   UNL     1       4.733   0.040   0.000  1.00  0.00           F  
HETATM   16  C   UNL     1       4.306  -1.554   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.770   0.939   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.462   0.490   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.248  -0.307   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.425  -0.350   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.813   1.763   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.548   2.138   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.240   1.688   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.197   0.864   0.000  1.00  0.00           C  
HETATM   25  H   UNL     1      -4.889   0.415   0.000  1.00  0.00           H  
HETATM   26  O   UNL     1      -1.332   1.458   0.000  1.00  0.00           O  
HETATM   27  F   UNL     1       2.712  -1.981   0.000  1.00  0.00           F  
HETATM   28  C   UNL     1       4.889  -2.138   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.889  -0.971   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.722  -2.138   0.000  1.00  0.00           C  
CONECT    1    2   17   20                                            
CONECT    2    1    3   26                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    7    8                                            
CONECT    7    6    4                                                 
CONECT    8    6    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   27                                            
CONECT   12   11   13   16                                            
CONECT   13   12   14   15                                            
CONECT   14   13    9                                                 
CONECT   15   13                                                      
CONECT   16   12   28   29   30                                       
CONECT   17    1   18   21                                            
CONECT   18   17   19   24                                            
CONECT   19   18   20                                                 
CONECT   20   19    1                                                 
CONECT   21   17   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   18   25                                            
CONECT   25   24                                                      
CONECT   26    2                                                      
CONECT   27   11                                                      
CONECT   28   16                                                      
CONECT   29   16                                                      
CONECT   30   16                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0O7BH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.580   1.650   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.580   0.825   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.866   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.151   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.151   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.866   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.866  -0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.580  -0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.580  -1.650   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.866  -2.062   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.151  -1.650   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.151  -0.825   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.365  -0.570   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.850  -1.238   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1      -3.365  -1.905   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1      -0.437  -0.412   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.437   0.412   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       0.278  -0.825   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.992  -0.412   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.706  -0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.295   2.062   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.421  -0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.135  -0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.421   0.413   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.850  -0.412   0.000  1.00  0.00           C  
CONECT    1    2    6   21                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8   12                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10   15                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7   16                                            
CONECT   13    8   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    9                                                 
CONECT   16   12   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   22                                                 
CONECT   21    1                                                      
CONECT   22   20   23   24                                            
CONECT   23   22   25                                                 
CONECT   24   22                                                      
CONECT   25   23                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END

$$$$

$$$$

$$$$
D0O7IH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.414   0.468   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.414  -0.357   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.699  -0.770   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.985  -0.357   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.985   0.468   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.699   0.880   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.270  -0.770   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.556  -0.357   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.841  -0.770   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.127  -0.357   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -1.841  -1.595   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.412  -0.770   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.302  -0.357   0.000  1.00  0.00           C  
HETATM   14 XX   UNL     1      -0.412  -1.595   0.000  1.00  0.00          Xx  
HETATM   15  N   UNL     1       1.016  -0.770   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1       0.302   0.468   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.731  -0.357   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.445  -0.770   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.160  -0.357   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.160   0.468   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.445   0.880   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.731   0.468   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.874   0.880   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.699   0.880   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.287   1.595   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       5.414   0.468   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   12                                                 
CONECT   11    9                                                      
CONECT   12   10   13   14                                            
CONECT   13   12   15   16                                            
CONECT   14   12                                                      
CONECT   15   13   17                                                 
CONECT   16   13                                                      
CONECT   17   15   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   20   24   25                                            
CONECT   24   23   25   26                                            
CONECT   25   24   23                                                 
CONECT   26   24                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0O7IQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.566   0.082   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.148  -0.330   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.863   0.082   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       1.577  -0.330   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.292   0.082   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       0.863   0.907   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1       3.006  -0.330   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.720   0.082   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.720   0.907   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.006   1.320   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.292   0.907   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.653   0.903   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.460   1.074   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.872   0.360   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.320  -0.253   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.693   0.274   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.178   0.941   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.998   0.855   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.333   0.101   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.849  -0.566   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.028  -0.480   0.000  1.00  0.00           C  
HETATM   22  F   UNL     1      -4.184  -1.320   0.000  1.00  0.00           F  
HETATM   23  H   UNL     1      -2.543  -1.147   0.000  1.00  0.00           H  
HETATM   24  C   UNL     1       3.178  -1.137   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       3.998  -1.223   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1       4.333  -0.470   0.000  1.00  0.00           N  
CONECT    1    2   12   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4    7   11                                            
CONECT    6    3                                                      
CONECT    7    5    8   24                                            
CONECT    8    7    9   26                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    5                                                 
CONECT   12    1   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14    1                                                 
CONECT   16   14   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   16   23                                            
CONECT   22   20                                                      
CONECT   23   21                                                      
CONECT   24    7   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25    8                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0O8DG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.854   1.038   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.854   0.213   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.139  -0.200   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.425   0.213   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.425   1.038   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.139   1.450   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -0.780  -0.302   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1       0.024  -0.118   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.382   0.625   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.024   1.369   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.780   1.552   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.448   2.077   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.095   2.698   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.854   2.374   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       1.207   0.625   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.620   1.340   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.207   2.054   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       0.539  -0.763   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -2.139  -1.025   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1       0.237  -1.531   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.752  -2.176   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.568  -2.053   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.869  -1.285   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.355  -0.640   0.000  1.00  0.00           C  
HETATM   25  H   UNL     1       2.082  -2.698   0.000  1.00  0.00           H  
HETATM   26  N   UNL     1       2.441   1.343   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.854   2.057   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.854   0.628   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   19                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   18                                            
CONECT    9    8   10   15                                            
CONECT   10    9   11   12                                            
CONECT   11   10    5   14                                            
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   11                                                 
CONECT   15    9   16                                                 
CONECT   16   15   17   26                                            
CONECT   17   16                                                      
CONECT   18    8   20   24                                            
CONECT   19    3                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
CONECT   25   22                                                      
CONECT   26   16   27   28                                            
CONECT   27   26                                                      
CONECT   28   26                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0O8DL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.876  -0.192   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.876  -1.017   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.162  -1.430   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.552  -1.017   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.552  -0.192   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.162   0.220   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.591   0.220   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.305  -0.192   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.305  -1.017   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.591  -1.430   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.162   1.045   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.552   1.458   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.267   1.045   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       0.552   2.283   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.981   1.458   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.195   2.255   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.020   2.255   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.233   1.458   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.195   0.661   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.020   0.661   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.734   2.667   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.734   1.073   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.509   1.747   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.684   1.747   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.591  -2.255   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.020  -1.430   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.020  -2.255   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.305  -2.667   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.734  -2.667   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.734  -1.017   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.734  -0.192   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   11                                            
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   26                                            
CONECT   10    9    2   25                                            
CONECT   11    6   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   15                                                 
CONECT   14   12                                                      
CONECT   15   13   16   19   24                                       
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   20                                                 
CONECT   19   15   20                                                 
CONECT   20   19   18   22                                            
CONECT   21   17   23                                                 
CONECT   22   20   23                                                 
CONECT   23   22   21   24                                            
CONECT   24   23   15                                                 
CONECT   25   10                                                      
CONECT   26    9   27   30                                            
CONECT   27   26   28   29                                            
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   26   31                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0O8FI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.992  -0.826   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.992  -1.651   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.706  -2.064   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.421  -1.651   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.421  -0.826   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.706  -0.414   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       1.706   0.411   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.992   0.824   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.992   1.649   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.706   2.061   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.706   2.886   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.992   3.299   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.278   2.886   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.278   2.061   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.135  -0.414   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.850  -0.826   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       4.564  -0.414   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       5.279  -0.826   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       5.993  -0.414   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1       5.279  -1.651   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       4.152   0.300   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.564   0.411   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       0.278  -2.064   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.437  -1.651   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.151  -2.064   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.866  -1.651   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.580  -2.064   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.580  -2.889   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.866  -3.301   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.151  -2.889   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.866  -0.826   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.295  -1.651   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.295  -0.826   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.009  -0.414   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.724  -0.826   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.724  -1.651   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.009  -2.064   0.000  1.00  0.00           C  
HETATM   38 CL   UNL     1       1.706  -2.889   0.000  1.00  0.00          Cl  
HETATM   39  O   UNL     1      -5.508  -0.572   0.000  1.00  0.00           O  
HETATM   40  C   UNL     1      -5.993  -1.239   0.000  1.00  0.00           C  
HETATM   41  N   UNL     1      -5.508  -1.906   0.000  1.00  0.00           N  
HETATM   42  C   UNL     1       2.420   3.301   0.000  1.00  0.00           C  
HETATM   43  N   UNL     1       3.838   3.301   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   23                                            
CONECT    3    2    4   38                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   15                                            
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   42                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    5   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   21   22                                       
CONECT   18   17   19   20                                            
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   17                                                      
CONECT   22   17                                                      
CONECT   23    2   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27   31                                            
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   26                                                      
CONECT   32   27   33   37                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36   39                                            
CONECT   36   35   37   41                                            
CONECT   37   36   32                                                 
CONECT   38    3                                                      
CONECT   39   35   40                                                 
CONECT   40   39   41                                                 
CONECT   41   40   36                                                 
CONECT   42   43   11                                                 
CONECT   43   42                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
M  END

$$$$
D0O8MJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.394  -0.822   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.106  -0.411   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.106   0.411   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.394   0.822   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.682   0.411   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.682  -0.411   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -1.394  -1.644   0.000  1.00  0.00          Cl  
HETATM    8 CL   UNL     1      -2.818  -0.822   0.000  1.00  0.00          Cl  
HETATM    9  C   UNL     1       0.030   0.822   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       0.030   1.644   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.742   0.411   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.564   0.411   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.153  -0.301   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.742  -1.013   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.564  -1.013   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.405   0.435   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.818   1.146   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       2.813  -0.278   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    2                                                      
CONECT    9    5   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   12   13                                            
CONECT   12   11   13   16                                            
CONECT   13   12   11   14   15                                       
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   12   17   18                                            
CONECT   17   16                                                      
CONECT   18   16                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D0O8RZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.369  -1.622   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.369  -2.447   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.655  -2.859   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.940  -2.447   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.940  -1.622   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.655  -1.209   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.156  -2.702   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.671  -2.034   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.156  -1.367   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       0.154  -2.034   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.084  -2.859   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.798  -2.447   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -4.084  -3.684   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -5.513  -2.859   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.901  -0.582   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.453   0.031   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.094  -0.411   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.161   0.374   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.198   0.816   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.750   1.429   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.557   1.257   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.812   0.473   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.260  -0.140   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.968   0.546   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.223   1.330   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.671   1.943   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.136   1.772   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.391   0.987   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       0.926   2.728   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       1.733   2.899   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.374   3.341   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       1.988   3.684   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       2.285   2.286   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       3.092   2.458   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       3.644   1.845   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.451   2.016   0.000  1.00  0.00           C  
HETATM   37  N   UNL     1       4.706   2.801   0.000  1.00  0.00           N  
HETATM   38  C   UNL     1       4.154   3.414   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       3.347   3.243   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       5.513   2.973   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5   15                                            
CONECT   10    8                                                      
CONECT   11    2   12   13                                            
CONECT   12   11   14                                                 
CONECT   13   11                                                      
CONECT   14   12                                                      
CONECT   15    9   16   17                                            
CONECT   16   15   19   23                                            
CONECT   17   15   18                                                 
CONECT   18   17   24   28                                            
CONECT   19   16   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   16                                                 
CONECT   24   18   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   18                                                 
CONECT   29   26   30   31                                            
CONECT   30   29   32   33                                            
CONECT   31   29                                                      
CONECT   32   30                                                      
CONECT   33   30   34                                                 
CONECT   34   33   35   39                                            
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38   40                                            
CONECT   38   37   39                                                 
CONECT   39   38   34                                                 
CONECT   40   37                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0O8SX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.104   3.149   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.104   2.324   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.389   1.911   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.675   2.324   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.675   3.149   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.389   3.562   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.039   1.911   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.754   2.324   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.754   3.149   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.039   3.562   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.211   1.105   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1       1.031   1.018   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.367   1.772   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.174   1.944   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       2.726   1.330   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1       2.429   2.728   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       3.533   1.502   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.341   0.491   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.818   1.911   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.818   1.087   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.533   0.674   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.533  -0.151   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.818  -0.564   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.104  -0.151   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.104   0.674   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.818  -1.389   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.533  -1.801   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.533  -2.626   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -2.818  -3.038   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -2.104  -2.626   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.104  -1.801   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.818  -3.864   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.166   3.864   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.579   3.149   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   19                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10   33   34                                       
CONECT   10    9    5                                                 
CONECT   11    7   12   18                                            
CONECT   12   11   13                                                 
CONECT   13   12    8   14                                            
CONECT   14   13   15   16                                            
CONECT   15   14   17                                                 
CONECT   16   14                                                      
CONECT   17   15                                                      
CONECT   18   11                                                      
CONECT   19    2   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   29                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END

$$$$

$$$$

$$$$
D0O8ZD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.873   0.911   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.873   0.086   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.158  -0.327   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.556   0.086   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.556   0.911   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.158   1.323   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.271   1.323   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.587  -0.327   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.302   0.086   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.302   0.911   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.016  -0.327   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.016  -1.152   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.731   0.086   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.445  -0.327   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       2.024   0.988   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       2.576   1.601   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.164   2.315   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.357   2.144   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.279   0.203   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.086   0.032   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.638   0.645   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.383   1.429   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.744   2.696   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.915   3.503   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.302   4.055   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.482   3.800   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.654   2.993   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.041   2.441   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.445   0.473   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.139  -0.497   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.723  -1.081   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.306  -1.664   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.093  -2.461   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.676  -3.045   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.473  -2.831   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.687  -2.034   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.103  -1.451   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       1.296  -2.675   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       1.082  -3.471   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       1.666  -4.055   0.000  1.00  0.00           C  
HETATM   41  N   UNL     1       2.462  -3.841   0.000  1.00  0.00           N  
HETATM   42  F   UNL     1       4.056  -3.414   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   30                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5   15   18                                            
CONECT    8    2    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14                                                 
CONECT   14   13                                                      
CONECT   15    7   16   19                                            
CONECT   16   15   17   22                                            
CONECT   17   16   18                                                 
CONECT   18   17    7   23                                            
CONECT   19   15   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   29                                            
CONECT   22   21   16                                                 
CONECT   23   18   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   21                                                      
CONECT   30    4   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   37                                            
CONECT   33   32   34   38                                            
CONECT   34   33   35   41                                            
CONECT   35   34   36   42                                            
CONECT   36   35   37                                                 
CONECT   37   36   32                                                 
CONECT   38   33   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41                                                 
CONECT   41   40   34                                                 
CONECT   42   35                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D0O9BK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.537  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.537  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.822  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.108  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.108  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.822  -0.412   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.607  -2.062   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.321  -1.650   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.321  -0.825   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.607  -0.412   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.607   0.412   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.321   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.035   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.750   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.750   1.650   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.035   2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.321   1.650   0.000  1.00  0.00           C  
HETATM   18  F   UNL     1       0.607   2.062   0.000  1.00  0.00           F  
HETATM   19 CL   UNL     1       3.464   2.062   0.000  1.00  0.00          Cl  
HETATM   20  S   UNL     1      -0.994   0.395   0.000  1.00  0.00           S  
HETATM   21  C   UNL     1      -1.814   0.481   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.150  -0.273   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.227   1.195   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.814   1.910   0.000  1.00  0.00           N  
HETATM   25  O   UNL     1      -3.052   1.195   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.464   0.481   0.000  1.00  0.00           C  
CONECT    1    2    6   22                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   20                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   18                                            
CONECT   18   17                                                      
CONECT   19   15                                                      
CONECT   20    6   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21    1                                                 
CONECT   23   21   24   25                                            
CONECT   24   23                                                      
CONECT   25   23   26                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0O9DS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.706   1.650   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.706   0.825   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.009   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.723   0.825   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.723   1.650   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.009   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.438   2.062   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.152   1.650   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1       1.438   2.888   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1       2.238   0.830   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       3.045   0.658   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.458   1.372   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.906   1.986   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.278   1.459   0.000  1.00  0.00           C  
HETATM   15  H   UNL     1       3.381  -0.096   0.000  1.00  0.00           H  
HETATM   16  C   UNL     1      -1.420   0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.135   0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.420  -0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.135   1.650   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.849   2.062   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.564   1.650   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.564   0.825   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.849   0.412   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.135  -0.825   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.135  -1.650   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.420  -2.062   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.706  -1.650   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.706  -0.825   0.000  1.00  0.00           C  
HETATM   29 CL   UNL     1      -4.278   2.062   0.000  1.00  0.00          Cl  
HETATM   30 CL   UNL     1      -1.420  -2.888   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3   16                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10   13                                            
CONECT    9    7                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13   14                                            
CONECT   13   12    8                                                 
CONECT   14   12                                                      
CONECT   15   11                                                      
CONECT   16    2   17   18                                            
CONECT   17   16   19   23                                            
CONECT   18   16   24   28                                            
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   29                                            
CONECT   22   21   23                                                 
CONECT   23   22   17                                                 
CONECT   24   18   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   18                                                 
CONECT   29   21                                                      
CONECT   30   26                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0O9GI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.541   0.412   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.827   0.825   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.112   0.412   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.602   0.825   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       1.317   0.412   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.112  -0.412   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.256   0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.317  -0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.031  -0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.746  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.746   0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.031   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.256   1.650   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.970   2.062   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.684   1.650   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.684   0.825   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.970   0.412   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.970  -0.412   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.399   2.062   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1      -5.114   1.650   0.000  1.00  0.00           F  
HETATM   21  F   UNL     1      -4.399   2.888   0.000  1.00  0.00           F  
HETATM   22  F   UNL     1      -5.114   2.475   0.000  1.00  0.00           F  
HETATM   23  C   UNL     1      -3.684  -0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.684  -1.650   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.970  -2.062   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.256  -1.650   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.256  -0.825   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.970  -2.888   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1       3.460   0.825   0.000  1.00  0.00           F  
HETATM   30  C   UNL     1       2.970  -1.519   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       3.684  -1.932   0.000  1.00  0.00           N  
HETATM   32  S   UNL     1       4.399  -1.519   0.000  1.00  0.00           S  
HETATM   33  O   UNL     1       3.986  -0.805   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1       4.811  -2.234   0.000  1.00  0.00           O  
HETATM   35  N   UNL     1       5.114  -1.107   0.000  1.00  0.00           N  
CONECT    1    2    7                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4    8   12                                            
CONECT    6    3                                                      
CONECT    7    1   13   17                                            
CONECT    8    5    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   30                                            
CONECT   11   10   12   29                                            
CONECT   12   11    5                                                 
CONECT   13    7   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16    7   18                                            
CONECT   18   17   23   27                                            
CONECT   19   15   20   21   22                                       
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   19                                                      
CONECT   23   18   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   18                                                 
CONECT   28   25                                                      
CONECT   29   11                                                      
CONECT   30   10   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   34   35                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0O9IS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.814  -0.822   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.526  -0.411   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.526   0.411   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.814   0.822   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.102   0.411   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.102  -0.411   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -1.814  -1.644   0.000  1.00  0.00          Cl  
HETATM    8 CL   UNL     1      -3.238  -0.822   0.000  1.00  0.00          Cl  
HETATM    9  C   UNL     1      -0.390   0.822   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.390   1.644   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.322   0.411   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.144   0.411   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.733  -0.301   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.969   0.411   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       2.454  -0.256   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1       3.238  -0.001   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       3.238   0.824   0.000  1.00  0.00           N  
HETATM   18  N   UNL     1       2.454   1.079   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    2                                                      
CONECT    9    5   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   12   13                                            
CONECT   12   11   13   14                                            
CONECT   13   12   11                                                 
CONECT   14   12   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   14                                                 
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D0O9JD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.321   1.502   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.235   0.681   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.482   0.346   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.814   0.831   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.900   1.651   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.654   1.986   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.007   0.659   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.595   1.373   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.147   1.986   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.595  -0.055   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.770  -0.055   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.358   0.659   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.770   1.373   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.358  -0.769   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.467  -0.769   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.879  -0.055   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.467   0.659   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.770   2.198   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.056   1.786   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.007  -0.769   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1       1.704  -0.055   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       0.879  -1.484   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.117  -0.769   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.941  -0.769   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.354  -0.055   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.941   0.659   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.117   0.659   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       4.179  -0.055   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       4.591  -0.769   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.416  -0.769   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       5.828  -0.055   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       5.416   0.659   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.591   0.659   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.075   1.837   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1      -5.828   2.172   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1       0.467  -2.198   0.000  1.00  0.00           C  
CONECT    1    2    6   34                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9   13                                            
CONECT    9    8    5                                                 
CONECT   10    7   11   20                                            
CONECT   11   10   12   14                                            
CONECT   12   11   13   17                                            
CONECT   13   12    8   18   19                                       
CONECT   14   11   15                                                 
CONECT   15   14   16   22                                            
CONECT   16   15   17   21                                            
CONECT   17   16   12                                                 
CONECT   18   13                                                      
CONECT   19   13                                                      
CONECT   20   10                                                      
CONECT   21   16   23   27                                            
CONECT   22   15   36                                                 
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   21                                                 
CONECT   28   25   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34    1   35                                                 
CONECT   35   34                                                      
CONECT   36   22                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0O9JZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       3.176   0.612   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       3.176  -0.213   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       3.890  -0.625   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       4.605  -0.213   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       4.605   0.612   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.890   1.025   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1       5.319   1.025   0.000  1.00  0.00           F  
HETATM    8  N   UNL     1       2.462  -0.625   0.000  1.00  0.00           N  
HETATM    9 CL   UNL     1       5.319  -0.625   0.000  1.00  0.00          Cl  
HETATM   10  C   UNL     1       1.747  -0.213   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.033  -0.625   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       1.747   0.612   0.000  1.00  0.00           O  
HETATM   13  S   UNL     1       0.318  -0.213   0.000  1.00  0.00           S  
HETATM   14  C   UNL     1      -0.396  -0.625   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.150  -0.289   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1      -1.702  -0.903   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1      -1.290  -1.617   0.000  1.00  0.00           N  
HETATM   18  N   UNL     1      -0.482  -1.446   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.522  -0.816   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.858  -0.063   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.679   0.024   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.163  -0.644   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.828  -1.398   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.007  -1.484   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.014   0.777   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.835   0.863   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1      -5.319   0.196   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -5.170   1.617   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    2   10                                                 
CONECT    9    4                                                      
CONECT   10    8   11   12                                            
CONECT   11   10   13                                                 
CONECT   12   10                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   14                                                 
CONECT   19   16   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   21   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26                                                      
CONECT   28   26                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0O9TL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.145  -0.675   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.430  -0.263   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.716  -0.675   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.001  -0.263   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.001   0.562   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.716   0.975   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.430   0.562   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.713  -0.675   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.713  -1.500   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.428  -1.913   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.142  -1.500   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.142  -0.675   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.428  -0.263   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.857  -0.263   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.571  -0.675   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.285  -0.263   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.285   0.562   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       3.571   0.975   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.857   0.562   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.859  -0.263   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.574  -0.675   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.574  -1.500   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.859  -1.913   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.145  -1.500   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       5.000   0.975   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.716   1.800   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       0.109   1.800   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -0.716   2.625   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -1.541   1.800   0.000  1.00  0.00           F  
HETATM   30  C   UNL     1      -4.288  -1.913   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -4.699  -1.201   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -5.000  -2.324   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -3.877  -2.625   0.000  1.00  0.00           F  
CONECT    1    2   20   24                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6   26    5    7                                            
CONECT    7    6    2                                                 
CONECT    8    4    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    8                                                 
CONECT   14   12   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   25                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20    1   21                                                 
CONECT   21   20   22                                                 
CONECT   22   30   21   23                                            
CONECT   23   22   24                                                 
CONECT   24   23    1                                                 
CONECT   25   17                                                      
CONECT   26   27   28   29    6                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30   31   32   33   22                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0O9WQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.994   1.849   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.471   1.176   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.978   0.514   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.196   0.779   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.206   1.604   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       0.592   0.534   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       1.068   1.207   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.575   1.869   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.223  -0.273   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.028  -0.455   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.273  -1.242   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.714  -1.849   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.909  -1.667   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.663  -0.880   0.000  1.00  0.00           C  
HETATM   15 CL   UNL     1      -1.959  -2.636   0.000  1.00  0.00          Cl  
HETATM   16  O   UNL     1      -1.258   2.631   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.296   1.166   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.721   1.873   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.546   1.873   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.945   1.166   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.520   0.459   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.695   0.459   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.893   1.217   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.319   0.510   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       3.144   0.510   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       3.543   1.217   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       3.117   1.924   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       2.292   1.924   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.770   1.154   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.962   2.585   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.926  -0.259   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       4.368   1.228   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       4.770   1.949   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       1.877   2.636   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       1.052   2.632   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       0.856  -0.248   0.000  1.00  0.00           C  
CONECT    1    2    5   16                                            
CONECT    2    1    3   17                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5    6                                            
CONECT    5    4    1    8                                            
CONECT    6    4    7   36                                            
CONECT    7    6    8   23                                            
CONECT    8    7    5                                                 
CONECT    9   10   14    3                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12                                                      
CONECT   16    1                                                      
CONECT   17    2   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   30                                            
CONECT   20   19   21   29                                            
CONECT   21   20   22   31                                            
CONECT   22   21   17                                                 
CONECT   23    7   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   32                                            
CONECT   27   26   28                                                 
CONECT   28   27   23   34                                            
CONECT   29   20                                                      
CONECT   30   19                                                      
CONECT   31   21                                                      
CONECT   32   26   33                                                 
CONECT   33   32                                                      
CONECT   34   28   35                                                 
CONECT   35   34                                                      
CONECT   36    6                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0O9WS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.782   1.440   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.782   0.617   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.071   0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.358   0.617   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.358   1.440   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.071   1.851   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.353   0.206   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.068   0.619   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.782   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.782  -0.619   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.497  -1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.211  -0.619   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       3.211   0.206   0.000  1.00  0.00           N  
HETATM   14  CA  UNL     1       2.497   0.619   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.068  -1.031   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.353  -0.619   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1       1.068  -1.856   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1      -2.497   1.852   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.211   1.440   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.497   1.444   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       1.782   1.856   0.000  1.00  0.00           O  
HETATM   22  OXT UNL     1       3.211   1.856   0.000  1.00  0.00           O  
CONECT    1    2    6   18                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9   20                                            
CONECT   15   10   16   17                                            
CONECT   16   15                                                      
CONECT   17   15                                                      
CONECT   18    1   19                                                 
CONECT   19   18                                                      
CONECT   20   14   21   22                                            
CONECT   21   20                                                      
CONECT   22   20                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0OA1P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.583   0.750   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.869   0.337   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.154   0.750   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.440   0.337   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.275   0.750   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.989   0.337   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.440  -0.488   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.797   1.547   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.620   1.590   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.916   0.820   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1      -3.275   0.301   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.275  -0.524   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.990  -0.937   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.990  -1.762   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.275  -2.174   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.561  -1.762   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.561  -0.937   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.989  -0.488   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.704  -0.900   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.418  -0.488   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.418   0.337   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.704   0.750   0.000  1.00  0.00           C  
HETATM   23  F   UNL     1       3.133   0.750   0.000  1.00  0.00           F  
HETATM   24  C   UNL     1      -4.073   2.283   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1      -4.787   1.870   0.000  1.00  0.00           F  
HETATM   26  F   UNL     1      -4.485   2.997   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1      -3.358   2.695   0.000  1.00  0.00           F  
HETATM   28  C   UNL     1      -1.847  -2.584   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.561  -2.997   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.847  -1.759   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.644  -1.594   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.358  -2.007   0.000  1.00  0.00           C  
HETATM   33  S   UNL     1       4.073  -1.594   0.000  1.00  0.00           S  
HETATM   34  O   UNL     1       3.660  -0.880   0.000  1.00  0.00           O  
HETATM   35  O   UNL     1       4.485  -2.309   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1       4.787  -1.182   0.000  1.00  0.00           C  
CONECT    1    2    8   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5   18   22                                            
CONECT    7    4                                                      
CONECT    8    1    9                                                 
CONECT    9    8   10   24                                            
CONECT   10    9   11                                                 
CONECT   11   10    1   12                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   28                                            
CONECT   17   16   12                                                 
CONECT   18    6   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   31                                            
CONECT   21   20   22   23                                            
CONECT   22   21    6                                                 
CONECT   23   21                                                      
CONECT   24    9   25   26   27                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
CONECT   28   16   29   30                                            
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   20   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   35   36                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0OA6W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.000  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.714   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.714  -1.443   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.000  -1.031   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -2.143   0.206   0.000  1.00  0.00          Cl  
HETATM    8  F   UNL     1       0.714  -1.443   0.000  1.00  0.00           F  
HETATM    9  N   UNL     1       0.714   0.206   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.429  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.143   0.206   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.143   1.031   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.429   1.443   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.714   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.000   1.443   0.000  1.00  0.00           C  
CONECT    1    2    6    9                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    3                                                      
CONECT    8    6                                                      
CONECT    9    1   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9   15                                            
CONECT   15   14                                                      
MASTER        0    0    0    0    0    0    0    0   15    0   15    0
END
M  END

$$$$
D0OB0Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.662   1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.662   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.947   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.233   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.233   1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.947   1.650   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.518   0.000   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.804   0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.804   1.238   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.518   1.650   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.518  -0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.233  -1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.233  -2.062   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.518  -2.475   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.804  -2.062   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.804  -1.238   0.000  1.00  0.00           C  
HETATM   17  H   UNL     1      -0.090  -0.825   0.000  1.00  0.00           H  
HETATM   18  C   UNL     1      -0.090   1.650   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.625   1.238   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1      -0.090   2.475   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       1.187   1.087   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.662   1.087   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.249   1.801   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.425   1.801   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.012   1.087   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.425   0.372   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.249   0.372   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       0.774   0.372   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       0.625   0.412   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.091   0.000   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   30                                            
CONECT    9    8   10   18                                            
CONECT   10    9    5                                                 
CONECT   11    7   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11   17                                            
CONECT   17   16                                                      
CONECT   18    9   19   20                                            
CONECT   19   18   21   29                                            
CONECT   20   18                                                      
CONECT   21   19   25   28                                            
CONECT   22   27   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   21                                            
CONECT   26   25   27                                                 
CONECT   27   22   26                                                 
CONECT   28   21                                                      
CONECT   29   19                                                      
CONECT   30    8                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0OC1S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.786   1.031   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.501   1.444   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.072  -0.206   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.357   0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.357   1.031   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.072   1.444   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1       0.357   1.444   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.072   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.786   1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.501   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.215   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.215   2.269   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.501   2.681   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.786   2.269   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       2.501   3.506   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       1.786   3.919   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       3.930   1.031   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       3.930   0.206   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.072  -1.031   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.786  -1.444   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.786  -2.269   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.501  -2.681   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.501  -3.506   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.786  -3.919   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.072  -3.506   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.072  -2.681   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.215  -3.919   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.930  -3.506   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1      -0.357  -3.919   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1       0.357  -3.506   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   23                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   21                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   13                                                 
CONECT   19   17   20                                                 
CONECT   20   19                                                      
CONECT   21   15   22                                                 
CONECT   22   21                                                      
CONECT   23    7   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30   33                                            
CONECT   30   29   25                                                 
CONECT   31   27   32                                                 
CONECT   32   31                                                      
CONECT   33   29   34                                                 
CONECT   34   33                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0OC6A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501   0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072   0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072   1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   1.856   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.215   0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.930   0.619   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.930   1.444   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.644   1.856   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.359   1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.359   0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.644   0.206   0.000  1.00  0.00           C  
HETATM   14 CL   UNL     1      -4.644  -0.619   0.000  1.00  0.00          Cl  
HETATM   15 CL   UNL     1      -3.215   1.856   0.000  1.00  0.00          Cl  
HETATM   16  C   UNL     1      -0.357   0.206   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.357   0.619   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1      -0.357  -0.619   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.072   0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.072  -0.619   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.786  -1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.501  -0.619   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.501   0.206   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.786   0.619   0.000  1.00  0.00           C  
HETATM   25  H   UNL     1       3.215   0.619   0.000  1.00  0.00           H  
HETATM   26  O   UNL     1       3.215  -1.031   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       3.930  -0.619   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.644  -1.031   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.359  -0.619   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.644  -1.856   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.215  -0.619   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1      -1.786  -0.619   0.000  1.00  0.00           O  
CONECT    1    2    6   15                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8   31                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8   14                                            
CONECT   14   13                                                      
CONECT   15    1                                                      
CONECT   16    4   17   18                                            
CONECT   17   16   19                                                 
CONECT   18   16                                                      
CONECT   19   17   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24   25                                            
CONECT   24   23   19                                                 
CONECT   25   23                                                      
CONECT   26   22   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31    7   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0OE0D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.689   0.028   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.689  -0.797   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.025  -1.210   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.740  -0.797   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.740   0.028   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.025   0.440   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       1.454  -1.210   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       2.169  -0.797   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       2.169   0.028   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.454   0.440   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.581  -1.512   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.966  -0.584   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       1.454   1.265   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       2.883   0.440   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.883   1.265   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.403  -1.210   0.000  1.00  0.00           O  
HETATM   17  S   UNL     1      -2.118  -0.797   0.000  1.00  0.00           S  
HETATM   18  C   UNL     1      -2.441  -1.519   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.833  -0.385   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1      -1.706  -0.083   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       3.598   1.678   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.598   2.503   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.883   2.915   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.169   2.503   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.169   1.678   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.261  -1.604   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.598  -2.358   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.114  -3.026   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.293  -2.941   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.957  -2.187   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.526  -3.740   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1       2.883   3.740   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   16                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   11   12                                       
CONECT    9    8   10   14                                            
CONECT   10    9    5   13                                            
CONECT   11    8                                                      
CONECT   12    8                                                      
CONECT   13   10                                                      
CONECT   14    9   15                                                 
CONECT   15   14   21   25                                            
CONECT   16    2   17                                                 
CONECT   17   16   18   19   20                                       
CONECT   18   17   26   30                                            
CONECT   19   17                                                      
CONECT   20   17                                                      
CONECT   21   15   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   32                                            
CONECT   24   23   25                                                 
CONECT   25   24   15                                                 
CONECT   26   18   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   18                                                 
CONECT   31   28                                                      
CONECT   32   23                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0OE2R
  -OEChem-09301911232D

 36 38  0     0  0  0  0  0  0999 V2000
    6.8671    1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9950    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7220   -1.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4114    1.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4114   -0.3047    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   10.9487    1.6140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1603    1.8716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9791   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2191   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3287   -1.3831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2  9  1  0  0  0  0
  2 21  1  0  0  0  0
  3 10  1  0  0  0  0
  3 14  1  0  0  0  0
  4 21  1  0  0  0  0
  4 34  1  0  0  0  0
  5 20  1  0  0  0  0
  5 35  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END

$$$$
D0OE4F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.787   1.031   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -6.787   0.206   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -6.073  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.359   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.359   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.073   1.444   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.644  -0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.644  -1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.930  -1.444   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.215  -1.031   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.215  -0.206   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.930   0.206   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1      -2.501   0.206   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.786  -0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.786  -1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.072  -1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.357  -1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.357  -0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.357   0.206   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.072  -0.206   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.786   0.206   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.072  -1.031   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       2.501  -0.206   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.215   0.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.215   1.031   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.501   1.444   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.786   1.031   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.930   1.444   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       4.644   1.031   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       4.644   0.206   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.359  -0.206   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       6.073   0.206   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1       6.073   1.031   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       5.359   1.444   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       6.787  -0.206   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11    7                                                 
CONECT   13   11   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   14                                                 
CONECT   20   18   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   24   28                                            
CONECT   23   21                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   22                                                 
CONECT   29   26   30                                                 
CONECT   30   29   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   36                                            
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
CONECT   36   33                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0OE6G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930   0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215  -0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501   0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215   1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.786  -0.619   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.072  -0.206   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.072   0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.786   1.031   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.786   1.856   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.357   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.357   0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.357  -0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.072  -0.619   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.786  -0.206   0.000  1.00  0.00           N1+
HETATM   17  C   UNL     1       1.786   0.619   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.072   1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.501  -0.619   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.215  -0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.930  -0.619   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.644  -0.206   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.644   0.619   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.930   1.031   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.215   0.619   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1       5.359   1.031   0.000  1.00  0.00           F  
HETATM   27  O   UNL     1      -3.215  -1.444   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.930  -1.856   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.644  -0.619   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -5.359  -0.206   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   29                                            
CONECT    3    2    4   27                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    9   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23                                                      
CONECT   27    3   28                                                 
CONECT   28   27                                                      
CONECT   29    2   30                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0OE9W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.730   0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.730  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.016  -0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.301  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.301   0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.016   1.031   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.413   1.031   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.128   0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.128  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.842  -0.619   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.557  -0.206   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.557   0.619   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.842   1.031   0.000  1.00  0.00           N  
HETATM   14  S   UNL     1       3.271   1.031   0.000  1.00  0.00           S  
HETATM   15  C   UNL     1       3.986   0.619   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.700   1.031   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       4.700   1.856   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       5.414   0.619   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       3.986  -0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.700  -0.619   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.700  -1.444   0.000  1.00  0.00           C  
HETATM   22 CL   UNL     1       1.842  -1.444   0.000  1.00  0.00          Cl  
HETATM   23  C   UNL     1      -2.445  -0.619   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.159  -0.206   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.874  -0.619   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.874  -1.444   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.159  -1.856   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.445  -1.444   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.589  -1.856   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -5.414  -1.856   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   23                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   22                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    8                                                 
CONECT   14   12   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17   18                                            
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19   15   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20                                                      
CONECT   22   10                                                      
CONECT   23    2   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   26   30                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0OG3Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.609  -0.089   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.106   0.323   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.106   1.148   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.609   1.561   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.323   1.148   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.323   0.323   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.891   0.068   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.375   0.736   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.891   1.403   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       2.200   0.736   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.613   1.450   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1       2.613   0.021   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       3.433   1.536   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.605   2.343   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.891   2.756   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.277   2.204   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       4.402   2.557   0.000  1.00  0.00           N  
HETATM   18  N   UNL     1      -0.609  -0.914   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.323  -1.327   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.323  -2.152   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.037  -0.914   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.752  -1.327   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.164  -0.612   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.339  -2.041   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.989  -0.612   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.402  -1.327   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.989  -2.041   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.577  -2.756   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.752  -2.756   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.577  -1.327   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.652  -1.863   0.000  1.00  0.00           C  
CONECT    1    2    6   18                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    3                                                 
CONECT   10    8   11   12                                            
CONECT   11   10   13   16                                            
CONECT   12   10                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   14                                                      
CONECT   18    1   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19                                                      
CONECT   21   19   22                                                 
CONECT   22   21   23   24   30                                       
CONECT   23   22   25                                                 
CONECT   24   22   29                                                 
CONECT   25   23   26   31                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   24   28   31                                            
CONECT   30   27   22                                                 
CONECT   31   25   29                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0OG8Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.887   1.083   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.674   0.286   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.917  -0.044   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.188   0.342   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.035   1.152   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.573   1.778   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.397   1.778   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.524  -0.148   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.232   0.182   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.896  -0.308   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.652   0.022   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.316  -0.468   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       1.744   0.842   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1       2.223  -1.288   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       2.887  -1.778   0.000  1.00  0.00           O  
CONECT    1    2    7                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    1                                                 
CONECT    8    4    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11   14                                                 
CONECT   13   11                                                      
CONECT   14   12   15                                                 
CONECT   15   14                                                      
MASTER        0    0    0    0    0    0    0    0   15    0   15    0
END
M  END

$$$$
D0OH0T
  -OEChem-09301911232D

 62 65  0     1  0  0  0  0  0999 V2000
   12.3109    2.1995    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6644    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8075    3.0674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8142    1.3315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -2.5305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -0.7984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8549    1.0047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3356    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1808    0.6720    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2672    1.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -0.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0762   -0.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5788    2.1928    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7788    1.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6728    2.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    2.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5788    1.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6728    0.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    2.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4429    2.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    2.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1788    1.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1827    0.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0429    2.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0506    0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9109    1.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9147    0.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1483    1.2911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5772    1.6156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7656    1.4431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5317   -0.7826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2897   -1.1201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1410   -0.9392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962   -0.3226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.4182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.2721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5753    2.8128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9838    1.6111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2653    0.8131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0664    3.1856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2682    3.1764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.0520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7879    0.5675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1897    1.2572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2682    0.1675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0664    0.1583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5098    2.4820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8396    3.1726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0426    3.1695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    3.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6469    0.3907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0405    2.8261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0560   -3.0674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0530   -0.4138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4466    2.0215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4528    0.4016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1 25  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  2  0  0  0  0
  3 16  1  0  0  0  0
  6 58  1  0  0  0  0
  7 59  1  0  0  0  0
 10  9  1  1  0  0  0
  9 43  1  0  0  0  0
  9 44  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  1  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 20  2  0  0  0  0
 15 24  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 19  1  0  0  0  0
 17 22  1  0  0  0  0
 17 25  1  1  0  0  0
 17 42  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 18 23  1  0  0  0  0
 19 21  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 26  2  0  0  0  0
 24 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 26 55  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 56  1  0  0  0  0
 29 31  2  0  0  0  0
 29 57  1  0  0  0  0
 30 32  2  0  0  0  0
 30 60  1  0  0  0  0
 31 32  1  0  0  0  0
 31 61  1  0  0  0  0
 32 62  1  0  0  0  0
M  END

$$$$
D0OH5L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.101  -0.900   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.517  -1.484   0.000  1.00  0.00           C  
HETATM    3  S   UNL     1      -2.782  -1.109   0.000  1.00  0.00           S  
HETATM    4  C   UNL     1      -2.911  -0.294   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.726  -0.165   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.197   0.118   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.482  -0.294   0.000  1.00  0.00           O  
HETATM    8  N   UNL     1      -2.197   0.943   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.613   1.526   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.899   1.114   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.899   0.289   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.184  -0.123   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.530   0.289   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.530   1.114   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.184   1.526   0.000  1.00  0.00           C  
HETATM   16  H   UNL     1      -3.646  -2.299   0.000  1.00  0.00           H  
HETATM   17 CL   UNL     1      -0.184  -0.949   0.000  1.00  0.00          Cl  
HETATM   18  N   UNL     1       1.244  -0.123   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.959   0.289   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.673  -0.123   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.388   0.289   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       3.388   1.114   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.673   1.526   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.959   1.114   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.101   1.529   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.170   1.584   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.583   2.299   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.408   2.299   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3   16                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    1                                                 
CONECT    6    4    7    8                                            
CONECT    7    6                                                      
CONECT    8    6    9                                                 
CONECT    9    8   10   28                                            
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    2                                                      
CONECT   17   12                                                      
CONECT   18   13   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22                                                      
CONECT   26   27                                                      
CONECT   27   26   28                                                 
CONECT   28    9   27                                                 
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0OI4X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  O   UNL     1      -0.283   0.725   0.000  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.997   0.312   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.825  -0.495   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.005  -0.581   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.331   0.173   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.751   0.648   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.138   0.344   0.000  1.00  0.00           N  
HETATM    8  O   UNL     1      -2.418   0.163   0.000  1.00  0.00           O  
HETATM    9  P   UNL     1      -3.172   0.498   0.000  1.00  0.00           P  
HETATM   10  O   UNL     1      -2.958   1.295   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1      -3.886   0.911   0.000  1.00  0.00           O  
HETATM   12  S   UNL     1      -3.755  -0.085   0.000  1.00  0.00           S  
HETATM   13  O   UNL     1      -1.377  -1.108   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1       0.408  -1.295   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1       1.751  -0.208   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       2.465   0.205   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.294   1.012   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.473   1.098   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.219  -0.131   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       3.886   0.354   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1       3.305  -0.951   0.000  1.00  0.00           N  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4   13                                            
CONECT    4    3    5   14                                            
CONECT    5    4    1    7                                            
CONECT    6    2    8                                                 
CONECT    7    5   15   18                                            
CONECT    8    6    9                                                 
CONECT    9    8   10   11   12                                       
CONECT   10    9                                                      
CONECT   11    9                                                      
CONECT   12    9                                                      
CONECT   13    3                                                      
CONECT   14    4                                                      
CONECT   15    7   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17    7                                                 
CONECT   19   16   20   21                                            
CONECT   20   19                                                      
CONECT   21   19                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0OI8P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.722   0.073   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.310  -0.641   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.722  -1.356   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.547  -1.356   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.960  -0.641   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.547   0.073   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       3.785  -0.641   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       4.197   0.073   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       5.022   0.073   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       5.435   0.788   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       5.022   1.502   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       4.197   1.502   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.785   0.788   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.485  -0.641   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.072   0.073   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.735  -0.098   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.821  -0.919   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.067  -1.254   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.536  -1.331   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.250  -0.919   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.463  -0.122   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.260   0.092   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.844  -0.492   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.630  -1.289   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.833  -1.502   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.641  -0.278   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -5.435  -0.065   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   14                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    2   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   14                                                 
CONECT   19   17   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   26   22   24                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   27   23                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0OJ1R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.072   2.365   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.072   1.540   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.786   1.127   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       2.501   1.540   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.501   2.365   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       1.786   2.777   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       0.357   2.777   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.357   2.365   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.357   1.540   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.357   1.127   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1      -1.072   1.127   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.072   0.302   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.786  -0.111   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.786  -0.935   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.072  -1.348   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.357  -0.935   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.357  -0.111   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.786   0.302   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.072  -0.111   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.072  -0.935   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       1.786  -1.348   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       2.501  -0.935   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.501  -0.111   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.786   3.602   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       3.215   2.777   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       3.215   1.127   0.000  1.00  0.00           C  
HETATM   27  S   UNL     1      -2.501  -1.348   0.000  1.00  0.00           S  
HETATM   28  O   UNL     1      -2.913  -0.634   0.000  1.00  0.00           O  
HETATM   29  N   UNL     1      -2.088  -2.062   0.000  1.00  0.00           N  
HETATM   30  O   UNL     1      -3.215  -1.760   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -2.501  -2.777   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.215  -3.189   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.501  -3.602   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4   18                                            
CONECT    4    3    5   26                                            
CONECT    5    4    6   25                                            
CONECT    6    5    1   24                                            
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    2                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   27                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    3   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24    6                                                      
CONECT   25    5                                                      
CONECT   26    4                                                      
CONECT   27   14   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27   31                                                 
CONECT   30   27                                                      
CONECT   31   29   32   33                                            
CONECT   32   31   33                                                 
CONECT   33   32   31                                                 
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0OK1S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.001   0.824   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.001  -0.001   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.287  -0.414   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.572  -0.001   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.572   0.824   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.287   1.236   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.858  -0.414   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.858  -1.239   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.143  -1.651   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.429  -1.239   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.429  -0.414   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.143  -0.001   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.143   0.824   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.715  -0.001   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.000  -0.414   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       0.715  -0.001   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.429  -0.414   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.143  -0.001   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.143   0.824   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.429   1.236   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.715   0.824   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.858   1.236   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       3.572   0.824   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       3.572  -0.001   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.287  -0.414   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       5.001  -0.001   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       5.001   0.824   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.287   1.236   0.000  1.00  0.00           C  
HETATM   29 BR   UNL     1       0.000   1.236   0.000  1.00  0.00          Br  
HETATM   30  C   UNL     1       4.284   1.651   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       4.998   1.239   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       3.570   1.239   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11    7   13                                            
CONECT   13   12                                                      
CONECT   14   11   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   16   29                                            
CONECT   22   19   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23   30                                            
CONECT   29   21                                                      
CONECT   30   28   31   32                                            
CONECT   31   30                                                      
CONECT   32   30                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0OK3K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.404  -0.743   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.689  -0.330   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.975  -0.743   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.260  -0.330   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.260   0.495   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.975   0.907   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.689   0.495   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.546   0.907   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.251   0.694   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.465   1.490   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.332   1.704   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.179   1.903   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.894   1.490   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       1.179   2.728   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.894   0.665   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.608   0.253   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.322   0.665   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.322   1.490   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.608   1.903   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       4.107   0.411   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       4.592   1.078   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.107   1.745   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.118  -0.330   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.404  -1.568   0.000  1.00  0.00           O  
HETATM   25  N   UNL     1      -4.204   0.490   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.011   0.662   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.424  -0.053   0.000  1.00  0.00           C  
HETATM   28  S   UNL     1      -4.872  -0.666   0.000  1.00  0.00           S  
HETATM   29  C   UNL     1       4.362  -0.374   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.810  -0.987   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.065  -1.772   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.872  -1.943   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       5.424  -1.330   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       5.169  -0.546   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1       5.127  -2.728   0.000  1.00  0.00           F  
CONECT    1    2   23   24                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    7                                                 
CONECT    7    6    2                                                 
CONECT    8    5    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10    8                                                 
CONECT   12   10   13   14                                            
CONECT   13   12   15   19                                            
CONECT   14   12                                                      
CONECT   15   13   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19   22                                            
CONECT   19   18   13                                                 
CONECT   20   17   21   29                                            
CONECT   21   20   22                                                 
CONECT   22   21   18                                                 
CONECT   23    1   25   28                                            
CONECT   24    1                                                      
CONECT   25   23   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   20   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   35                                            
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0OL7Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.262  -0.411   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.845   0.172   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.580  -0.203   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.451  -1.017   0.000  1.00  0.00           C  
HETATM    5  S   UNL     1      -1.636  -1.147   0.000  1.00  0.00           S  
HETATM    6 CL   UNL     1      -3.034  -1.601   0.000  1.00  0.00          Cl  
HETATM    7  S   UNL     1      -0.437  -0.411   0.000  1.00  0.00           S  
HETATM    8  N   UNL     1       0.388  -0.411   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -1.020   0.172   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1      -0.849  -1.126   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.972   0.172   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.559   0.886   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.797   0.172   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       0.972   1.601   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       2.209   0.886   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.034   0.886   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.209  -0.543   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.034  -0.543   0.000  1.00  0.00           C  
CONECT    1    2    5    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    1                                                 
CONECT    6    4                                                      
CONECT    7    1    8    9   10                                       
CONECT    8    7   11                                                 
CONECT    9    7                                                      
CONECT   10    7                                                      
CONECT   11   12    8   13                                            
CONECT   12   11   14                                                 
CONECT   13   11   15   17                                            
CONECT   14   12                                                      
CONECT   15   13   16                                                 
CONECT   16   15                                                      
CONECT   17   13   18                                                 
CONECT   18   17                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D0OM2M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.321   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.321  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.607  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.892  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.892   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.607   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.035  -0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.178   0.825   0.000  1.00  0.00           C  
HETATM    9  H   UNL     1      -0.178   1.650   0.000  1.00  0.00           H  
HETATM   10  N   UNL     1       0.537   0.412   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.537  -0.412   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.178  -0.825   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       1.251  -0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.251   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.966   0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.680   0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.680   1.650   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.966   2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.251   1.650   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.395   0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.109   0.825   0.000  1.00  0.00           C  
HETATM   22  H   UNL     1      -1.607   1.650   0.000  1.00  0.00           H  
HETATM   23  C   UNL     1      -3.750  -0.412   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.464  -0.825   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.464  -1.650   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.750  -2.062   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.035  -1.650   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -5.179  -2.062   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.179  -2.888   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.893  -1.650   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.251  -1.650   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.966  -2.062   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.680  -1.650   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.680  -0.825   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.966  -0.412   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.378  -1.127   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1       1.966   2.888   0.000  1.00  0.00           F  
HETATM   38  C   UNL     1       4.464   0.206   0.000  1.00  0.00           C  
HETATM   39  O   UNL     1       3.750  -0.206   0.000  1.00  0.00           O  
HETATM   40  O   UNL     1       5.179  -0.206   0.000  1.00  0.00           O  
HETATM   41  C   UNL     1       5.893   0.206   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1   22                                            
CONECT    7    2   23   27                                            
CONECT    8    5    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11   14                                            
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   31   35                                            
CONECT   14   10   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   37                                            
CONECT   19   18   14                                                 
CONECT   20   16   21                                                 
CONECT   21   20   38                                                 
CONECT   22    6                                                      
CONECT   23    7   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26    7                                                 
CONECT   28   25   29   30                                            
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   13   32                                                 
CONECT   32   31   33   36                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   13   36                                            
CONECT   36   35   32                                                 
CONECT   37   18                                                      
CONECT   38   21   39   40                                            
CONECT   39   38                                                      
CONECT   40   38   41                                                 
CONECT   41   40                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D0OM6D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.218   1.702   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.218   0.879   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.506   0.469   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.206   0.879   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.206   1.702   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.506   2.113   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.930   2.113   0.000  1.00  0.00           O  
HETATM    8 CL   UNL     1      -0.506   2.935   0.000  1.00  0.00          Cl  
HETATM    9  C   UNL     1       0.918   0.469   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.918  -0.354   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.630  -0.765   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.342  -0.354   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.342   0.469   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.630   0.879   0.000  1.00  0.00           N  
HETATM   15  N   UNL     1       1.630  -1.590   0.000  1.00  0.00           N  
HETATM   16  S   UNL     1       0.916  -2.002   0.000  1.00  0.00           S  
HETATM   17  C   UNL     1       0.201  -2.415   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.328  -2.717   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       0.503  -1.288   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.513  -2.002   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.228  -2.415   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.228  -3.240   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.513  -3.652   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.201  -3.240   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.930   2.938   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.517   3.652   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.342   3.652   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1       0.916  -3.652   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    1   25                                                 
CONECT    8    6                                                      
CONECT    9    4   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17   18   19                                       
CONECT   17   16   20   24                                            
CONECT   18   16                                                      
CONECT   19   16                                                      
CONECT   20   17   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   17   28                                            
CONECT   25    7   26   27                                            
CONECT   26   25   27                                                 
CONECT   27   26   25                                                 
CONECT   28   24                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0ON4M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.566   0.082   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.148  -0.330   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.863   0.082   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       1.577  -0.330   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.292   0.082   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       0.863   0.907   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1       3.006  -0.330   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.720   0.082   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.720   0.907   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.006   1.320   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.292   0.907   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.653   0.903   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.460   1.074   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.872   0.360   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.320  -0.253   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.693   0.274   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.178   0.941   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.998   0.855   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.333   0.101   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.849  -0.566   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.028  -0.480   0.000  1.00  0.00           C  
HETATM   22  H   UNL     1      -4.184  -1.320   0.000  1.00  0.00           H  
HETATM   23  F   UNL     1      -2.543  -1.147   0.000  1.00  0.00           F  
HETATM   24  C   UNL     1       3.178  -1.137   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       3.998  -1.223   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1       4.333  -0.470   0.000  1.00  0.00           N  
CONECT    1    2   12   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4    7   11                                            
CONECT    6    3                                                      
CONECT    7    5    8   24                                            
CONECT    8    7    9   26                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    5                                                 
CONECT   12    1   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14    1                                                 
CONECT   16   14   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   16   23                                            
CONECT   22   20                                                      
CONECT   23   21                                                      
CONECT   24    7   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25    8                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0ON7G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.677  -0.494   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.677  -1.319   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.037  -1.731   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.752  -1.319   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.752  -0.494   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.037  -0.081   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.462  -0.239   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.947  -0.906   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.462  -1.574   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.717   0.546   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.165   1.159   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.358   0.987   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.194   1.600   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.061   2.385   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.868   2.556   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.420   1.943   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.466  -0.081   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.220  -0.417   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.772   0.196   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       2.359   0.911   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       1.552   0.739   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.391  -1.224   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.939   1.291   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.772  -0.906   0.000  1.00  0.00           O  
HETATM   25  N   UNL     1       0.037  -2.556   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   25                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   17                                            
CONECT    6    5    1                                                 
CONECT    7    1    8   10                                            
CONECT    8    7    9   24                                            
CONECT    9    8    2                                                 
CONECT   10    7   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    5   18   21                                            
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   17   23                                            
CONECT   22   18                                                      
CONECT   23   21                                                      
CONECT   24    8                                                      
CONECT   25    3                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0OQ2S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.349   1.964   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.349   1.139   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.635   0.726   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.080   1.139   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.080   1.964   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.635   2.376   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.794   0.726   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.509   1.139   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.509   1.964   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       0.794   2.376   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.064   0.726   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.778   1.139   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.493   0.726   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.493  -0.099   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.778  -0.511   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.064  -0.099   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.207  -0.511   0.000  1.00  0.00           C  
HETATM   18  S   UNL     1       0.794  -0.099   0.000  1.00  0.00           S  
HETATM   19  C   UNL     1       1.509  -0.511   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.509  -1.337   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.223  -1.749   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.938  -1.337   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.938  -0.511   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.223  -0.099   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       3.722  -1.591   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       4.207  -0.924   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.722  -0.257   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.977  -2.376   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.031  -0.099   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       0.581  -0.896   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   18                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    2   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   14                                                      
CONECT   18    7   19   29   30                                       
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24   27                                            
CONECT   24   23   19                                                 
CONECT   25   22   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   23                                                 
CONECT   28   25                                                      
CONECT   29   18                                                      
CONECT   30   18                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0OQ7S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.204   2.209   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.204   1.385   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.989   1.130   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.474   1.797   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.989   2.465   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.510   2.622   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.224   2.209   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.224   1.385   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.510   0.972   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       2.299   1.797   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.939   0.972   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.653   1.385   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.368   0.972   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.368   0.147   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.653  -0.266   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.939   0.147   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.244   0.345   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.051   0.173   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       0.692  -0.268   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       2.306  -0.611   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.754  -1.224   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.009  -2.009   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.816  -2.180   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       3.368  -1.567   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.113  -0.783   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.947  -1.053   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.457  -2.622   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.227  -0.266   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1      -1.640  -0.980   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -1.942   0.147   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -0.815   0.449   0.000  1.00  0.00           F  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   17                                            
CONECT    4    3    5   10                                            
CONECT    5    4    1                                                 
CONECT    6    1    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8    2                                                 
CONECT   10    4                                                      
CONECT   11    8   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11   28                                            
CONECT   17    3   18   19                                            
CONECT   18   17   20                                                 
CONECT   19   17                                                      
CONECT   20   18   21   25                                            
CONECT   21   20   22   26                                            
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   21                                                      
CONECT   27   22                                                      
CONECT   28   16   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END

$$$$

$$$$

$$$$
D0OR0K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.000   0.412   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.715   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.715  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.429  -1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.143  -0.825   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       2.143   0.000   0.000  1.00  0.00           N  
HETATM    7  CA  UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.000  -1.238   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.715  -0.825   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1       0.000  -2.062   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.429   1.238   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       0.715   1.650   0.000  1.00  0.00           O  
HETATM   13  OXT UNL     1       2.143   1.650   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.715   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.715   1.650   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.429   2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.143   1.650   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.143   0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.429   0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.000   2.062   0.000  1.00  0.00           C  
CONECT    1    2   14                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    2   11                                            
CONECT    8    3    9   10                                            
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11    7   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14    1   15   19                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   15                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0OR2V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.780  -0.498   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.780  -1.323   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.066  -1.735   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.649  -1.323   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.649  -0.498   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.066  -0.085   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.066   0.740   0.000  1.00  0.00           N  
HETATM    8  S   UNL     1      -0.780   1.152   0.000  1.00  0.00           S  
HETATM    9  F   UNL     1      -1.494  -0.085   0.000  1.00  0.00           F  
HETATM   10  F   UNL     1      -0.066  -2.560   0.000  1.00  0.00           F  
HETATM   11  F   UNL     1       1.363  -1.735   0.000  1.00  0.00           F  
HETATM   12  N   UNL     1       1.363  -0.085   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.078  -0.498   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.078  -1.323   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.792  -1.735   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.507  -1.323   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.507  -0.498   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.792  -0.085   0.000  1.00  0.00           C  
HETATM   19  F   UNL     1       2.792   0.740   0.000  1.00  0.00           F  
HETATM   20  I   UNL     1       4.221  -1.735   0.000  1.00  0.00           I  
HETATM   21  O   UNL     1      -0.197   1.735   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1      -1.363   0.569   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.363   1.735   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.078   1.323   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.951   2.450   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.776   2.450   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.792   1.735   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.507   1.323   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.221   1.735   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1      -2.792   2.560   0.000  1.00  0.00           O  
CONECT    1    2    6    9                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   10                                            
CONECT    4    3    5   11                                            
CONECT    5    4    6   12                                            
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7   21   22   23                                       
CONECT    9    1                                                      
CONECT   10    3                                                      
CONECT   11    4                                                      
CONECT   12    5   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   13   19                                            
CONECT   19   18                                                      
CONECT   20   16                                                      
CONECT   21    8                                                      
CONECT   22    8                                                      
CONECT   23    8   24   25   26                                       
CONECT   24   23   27                                                 
CONECT   25   23   26                                                 
CONECT   26   25   23                                                 
CONECT   27   24   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28                                                      
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0OR4G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.367   1.114   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.082   1.527   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.796   1.114   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.796   0.289   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.082  -0.123   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.367   0.289   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.653  -0.123   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.062   0.289   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.776  -0.123   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.491   0.289   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.491   1.114   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.776   1.527   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.062   1.114   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.205  -0.123   0.000  1.00  0.00           C  
HETATM   15 CL   UNL     1      -3.511   1.527   0.000  1.00  0.00          Cl  
HETATM   16  C   UNL     1       2.291  -0.944   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.098  -1.115   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       3.511  -0.401   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1       2.959   0.212   0.000  1.00  0.00           N  
HETATM   20 BR   UNL     1       1.708  -1.527   0.000  1.00  0.00          Br  
HETATM   21  C   UNL     1       3.172   1.009   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   15                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   16   19                                            
CONECT   15    3                                                      
CONECT   16   14   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14   21                                            
CONECT   20   16                                                      
CONECT   21   19                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0OR4X
  -OEChem-09301911242D

 39 40  0     0  0  0  0  0  0999 V2000
    4.2690    2.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    4.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3810    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6210    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    5.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4231    2.1181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    2.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0431    3.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244   -2.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230   -3.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -4.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 14  1  0  0  0  0
  2 19  1  0  0  0  0
  2 38  1  0  0  0  0
  3 21  2  0  0  0  0
  4 23  1  0  0  0  0
  4 39  1  0  0  0  0
  5 23  2  0  0  0  0
  6 18  1  0  0  0  0
  6 20  2  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  2  0  0  0  0
 11 15  2  0  0  0  0
 11 24  1  0  0  0  0
 12 15  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 17  2  0  0  0  0
 14 20  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 19  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  2  0  0  0  0
 18 21  1  0  0  0  0
 20 34  1  0  0  0  0
 22 23  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
M  END

$$$$
D0OS1N
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.425  -1.217   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.425  -2.042   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.711  -2.455   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.004  -2.042   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.004  -1.217   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.711  -0.805   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.789  -2.297   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.273  -1.630   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1       0.789  -0.962   0.000  1.00  0.00           S  
HETATM   10  N   UNL     1      -0.882   0.002   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.703   0.089   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.038  -0.665   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.115   0.803   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.703   1.517   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.940   0.803   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.330   0.615   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.477   0.444   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.029   1.057   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       0.774   1.842   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.033   2.013   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.585   1.400   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.326   2.455   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.133   2.283   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.940   2.112   0.000  1.00  0.00           N  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    6   11   16                                            
CONECT   11   10   12   13                                            
CONECT   12   11    1                                                 
CONECT   13   11   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   17   21   10                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   19   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0OS2I
  -OEChem-09301911162D

 57 60  0     1  0  0  0  0  0999 V2000
    8.0622    3.5950    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.0950    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.0950    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4050    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -3.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.4050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3301   -2.4050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641   -2.9050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4641   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -0.4301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -0.4301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -2.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -2.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062   -1.4419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862   -0.3681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    3.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  1  0  0  0  0
  2 30  1  0  0  0  0
  3 31  1  0  0  0  0
 13  4  1  1  0  0  0
  4 47  1  0  0  0  0
  5 23  2  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 18  1  0  0  0  0
 14  7  1  6  0  0  0
  7 45  1  0  0  0  0
  7 46  1  0  0  0  0
  8 19  1  0  0  0  0
  8 23  1  0  0  0  0
  8 50  1  0  0  0  0
  9 21  2  0  0  0  0
  9 22  1  0  0  0  0
 10 24  2  0  0  0  0
 10 26  1  0  0  0  0
 11 25  1  0  0  0  0
 11 53  1  0  0  0  0
 11 54  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 17  1  6  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 14 16  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 51  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 27 28  1  0  0  0  0
 27 52  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  2  0  0  0  0
 32 55  1  0  0  0  0
 33 34  1  0  0  0  0
 33 56  1  0  0  0  0
 34 57  1  0  0  0  0
M  END

$$$$
D0OS9O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.106  -0.904   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.106  -1.729   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.608  -2.141   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.323  -1.729   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.323  -0.904   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.608  -0.491   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.037  -2.141   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.752  -1.729   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.752  -0.904   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.037  -0.491   0.000  1.00  0.00           C  
HETATM   11  S   UNL     1       2.037   0.334   0.000  1.00  0.00           S  
HETATM   12  O   UNL     1       1.212   0.334   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1       2.862   0.334   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1       2.037   1.159   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       2.780   1.517   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.964   2.321   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.450   2.966   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.625   2.966   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.110   2.321   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.294   1.517   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       0.608  -2.966   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.821  -2.141   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.535  -1.729   0.000  1.00  0.00           O  
HETATM   24  P   UNL     1      -2.250  -2.141   0.000  1.00  0.00           P  
HETATM   25  O   UNL     1      -2.662  -1.427   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.837  -2.856   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.964  -2.554   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   22                                            
CONECT    3    2    4   21                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   12   13   14                                       
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14   11   15   20                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   14                                                 
CONECT   21    3                                                      
CONECT   22    2   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26   27                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0OT3G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.004   0.322   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.004  -0.503   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.290  -0.916   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.425  -0.503   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.425   0.322   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.290   0.734   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.718   0.734   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.718  -0.916   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.718   1.559   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.433   1.972   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.147   1.559   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.147   0.734   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.433   0.322   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.433  -0.503   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.147  -0.916   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.147  -1.741   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.433  -2.153   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.718  -1.741   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.038   0.874   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.702   1.628   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.118   1.541   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       1.845   0.702   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       2.397   1.315   0.000  1.00  0.00           O  
HETATM   24  N   UNL     1       2.100  -0.082   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       2.897  -0.296   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.480   0.288   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.313  -0.879   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.527  -1.676   0.000  1.00  0.00           C  
HETATM   29  S   UNL     1       3.324  -1.889   0.000  1.00  0.00           S  
HETATM   30  C   UNL     1       3.907  -1.306   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.694  -0.509   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       3.110  -2.686   0.000  1.00  0.00           O  
HETATM   33  O   UNL     1       4.038  -2.302   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1       3.267   1.085   0.000  1.00  0.00           O  
HETATM   35  N   UNL     1       4.277   0.074   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1      -3.865   1.972   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1      -3.452   2.686   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1      -3.150   1.559   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1      -4.277   1.257   0.000  1.00  0.00           F  
HETATM   40  C   UNL     1      -1.006  -2.153   0.000  1.00  0.00           C  
HETATM   41  N   UNL     1      -1.831  -2.153   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   19                                            
CONECT    6    5    1   21                                            
CONECT    7    9   13    1                                            
CONECT    8    2   14   18                                            
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   36                                            
CONECT   12   11   13                                                 
CONECT   13   12    7                                                 
CONECT   14    8   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17    8   40                                            
CONECT   19    5   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20    6                                                 
CONECT   22   19   23   24                                            
CONECT   23   22                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26   27   31                                       
CONECT   26   25   34   35                                            
CONECT   27   25   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32   33                                       
CONECT   30   29   31                                                 
CONECT   31   30   25                                                 
CONECT   32   29                                                      
CONECT   33   29                                                      
CONECT   34   26                                                      
CONECT   35   26                                                      
CONECT   36   11   37   38   39                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   36                                                      
CONECT   40   18   41                                                 
CONECT   41   40                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D0OT4O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.420   1.403   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.708   1.814   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.004   1.403   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.004   0.581   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.716   0.170   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.428   0.581   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.428   1.403   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.716   1.814   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.140   0.170   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.852   0.581   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.852   1.403   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.140   1.814   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       3.564   1.814   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       4.276   1.403   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       3.564   2.636   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       2.140  -0.652   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.472  -1.137   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.727  -1.922   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1       2.552  -1.922   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.807  -1.137   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.965  -2.636   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.135   1.816   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.849   1.403   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.849   0.578   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.135   0.166   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.420   0.578   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.564   1.816   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1      -3.153   2.528   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -4.276   2.227   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -3.975   1.104   0.000  1.00  0.00           F  
CONECT    1    2   22   26                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7    9                                            
CONECT    7    6    8   12                                            
CONECT    8    7    3                                                 
CONECT    9    6   10   16                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11    7                                                 
CONECT   13   11   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16    9   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   16                                                 
CONECT   21   19                                                      
CONECT   22    1   23                                                 
CONECT   23   27   22   24                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25    1                                                 
CONECT   27   28   29   30   23                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0OT8R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.152  -1.746   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.977  -1.746   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       1.390  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.977  -0.317   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.152  -0.317   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.260  -1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.215  -1.031   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.627  -1.746   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       3.452  -1.746   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       3.865  -1.031   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.452  -0.317   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.627  -0.317   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       4.690  -1.031   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       5.102  -0.317   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       5.927  -0.317   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       6.340   0.398   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       7.165   0.398   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       5.927   1.112   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       5.927  -1.142   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       6.642  -0.729   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.085  -1.031   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.498  -0.317   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.323  -0.317   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.085   0.398   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.808   0.351   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.592   0.096   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.592  -0.729   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.808  -0.984   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.553   1.135   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.307   0.508   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.021   0.096   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.021  -0.729   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.307  -1.142   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.736   0.508   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.736   1.333   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.450   1.746   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.165   1.333   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.165   0.508   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.450   0.096   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   21                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   19   20                                       
CONECT   16   15   17   18                                            
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19   15                                                      
CONECT   20   15                                                      
CONECT   21    6   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   25   28                                            
CONECT   24   22                                                      
CONECT   25   23   26   29                                            
CONECT   26   25   27   30                                            
CONECT   27   26   28   33                                            
CONECT   28   27   23                                                 
CONECT   29   25                                                      
CONECT   30   26   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   27                                                 
CONECT   34   31   35   39                                            
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   34                                                 
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0OU0J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.514  -0.327   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.514  -1.152   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.800  -1.565   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.086  -1.152   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.086  -0.327   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.800   0.085   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.299  -0.072   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -5.784  -0.740   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.299  -1.407   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.371   0.085   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.657  -0.327   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.443  -1.124   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.646  -0.910   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.860  -0.114   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.068  -1.323   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.783  -0.910   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.497  -1.323   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.212  -0.910   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.212  -0.085   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.497   0.327   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.783  -0.085   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.926   0.327   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       3.641  -0.085   0.000  1.00  0.00           N  
HETATM   24  O   UNL     1       2.926   1.152   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       4.355   0.327   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       5.070  -0.085   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       5.784   0.327   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.784   1.152   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.070   1.565   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.355   1.152   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       5.070  -0.910   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    5   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13   11                                                 
CONECT   15   13   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   19   23   24                                            
CONECT   23   22   25                                                 
CONECT   24   22                                                      
CONECT   25   23   26   30                                            
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   26                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0OW2D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287   1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287   0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572   0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858   0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858   1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.572   1.856   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.143   0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.429   0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.715   0.206   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.429   1.444   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.715  -0.619   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.000  -1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.715  -0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.715   0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.000   0.619   0.000  1.00  0.00           C  
HETATM   16  F   UNL     1      -5.001   1.856   0.000  1.00  0.00           F  
HETATM   17  F   UNL     1      -5.001   0.206   0.000  1.00  0.00           F  
HETATM   18  N   UNL     1       1.429   0.619   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       1.429  -1.031   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1       2.143  -0.619   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.143   0.206   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.858   0.619   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.429  -1.856   0.000  1.00  0.00           C  
HETATM   24  S   UNL     1       3.572   0.206   0.000  1.00  0.00           S  
HETATM   25  O   UNL     1       3.160  -0.508   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1       4.287  -0.206   0.000  1.00  0.00           N  
HETATM   27  O   UNL     1       3.985   0.921   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       5.001   0.206   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.287  -1.031   0.000  1.00  0.00           C  
CONECT    1    2    6   16                                            
CONECT    2    1    3   17                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8   11   15                                            
CONECT   10    8                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   19                                            
CONECT   14   13   15   18                                            
CONECT   15   14    9                                                 
CONECT   16    1                                                      
CONECT   17    2                                                      
CONECT   18   14   21                                                 
CONECT   19   13   23                                                 
CONECT   20   21                                                      
CONECT   21   18   22   20                                            
CONECT   22   21   24                                                 
CONECT   23   19                                                      
CONECT   24   22   25   26   27                                       
CONECT   25   24                                                      
CONECT   26   24   28   29                                            
CONECT   27   24                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0OW3S
  -OEChem-09301911152D

 48 51  0     0  0  0  0  0  0999 V2000
    2.2079   -0.3126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6092    0.4964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2661    3.7424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2024   -2.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3364   -2.6492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0685   -2.6492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7024   -1.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3364   -3.6492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0685   -3.6492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2024   -4.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7024   -1.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7024   -1.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2024   -0.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7024   -1.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2024   -0.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7024    0.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2024   -0.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7024    0.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9705    2.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8841    2.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1615    2.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9886    3.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1796    4.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1244   -2.0665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7258   -2.7568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6790   -2.7568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2805   -2.0665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2850   -1.0711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5948   -0.6725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7258   -3.5415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1244   -4.2318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2805   -4.2318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6790   -3.5415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8039   -4.6241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6010   -4.6241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1198   -1.4952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8101   -1.8937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5824   -0.4171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0124   -1.8201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3924    0.9859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8224   -0.4171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0124    0.9859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3857    2.2024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5951    2.4957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5550    3.8135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2444    4.7658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 16  1  0  0  0  0
  2 16  2  0  0  0  0
  2 20  1  0  0  0  0
  3 20  2  0  0  0  0
  4 23  1  0  0  0  0
  4 25  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  6  9  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 10  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 13  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 17  1  0  0  0  0
 14 40  1  0  0  0  0
 15 18  2  0  0  0  0
 15 41  1  0  0  0  0
 17 19  2  0  0  0  0
 17 42  1  0  0  0  0
 18 19  1  0  0  0  0
 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 25  1  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
M  END

$$$$
D0OX9E
  -OEChem-09301911142D

 63 67  0     1  0  0  0  0  0999 V2000
   10.9210    4.0647    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.8480   -2.3086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0693   -3.1466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5693   -0.5486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1081   -1.0486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0693   -1.4146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0693   -1.4146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5693   -0.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1570    0.2604    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.0693    0.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0693   -1.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693    0.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693   -1.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1081   -0.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1570   -1.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8480    1.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5693   -0.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0693   -1.4146    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8699    1.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5172    1.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5693   -2.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5609    2.3705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2081    2.9057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2300    3.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5693   -2.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5693   -2.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0693   -3.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0693   -1.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0693   -3.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5693   -2.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5624   -4.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5278   -2.2646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5208   -4.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5955    0.6989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6519    0.5295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9616    0.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9616   -2.0252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6519   -1.6266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1769    0.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4866    0.5295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4866   -1.6266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1769   -2.0252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7247   -0.1134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2370    0.5579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6097   -1.4130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6769    0.0620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9866   -0.3365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7593   -1.9515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4550    0.9587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1236    1.8257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0323   -2.5906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8793   -2.8176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1062   -1.9706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9544    2.4994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6230    3.3665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7593   -0.8777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3793   -3.6836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3793   -0.8777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8786   -4.5900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2240   -1.7241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2129   -4.6028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -3.1602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2 15  2  0  0  0  0
  3 25  2  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 17  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 46  1  0  0  0  0
 18  6  1  6  0  0  0
  6 25  1  0  0  0  0
  6 57  1  0  0  0  0
  7 28  2  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  9 14  1  0  0  0  0
  9 16  1  1  0  0  0
  9 35  1  0  0  0  0
 10 12  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 13  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 21  1  0  0  0  0
 18 49  1  0  0  0  0
 19 22  1  0  0  0  0
 19 50  1  0  0  0  0
 20 23  2  0  0  0  0
 20 51  1  0  0  0  0
 21 52  1  0  0  0  0
 21 53  1  0  0  0  0
 21 54  1  0  0  0  0
 22 24  2  0  0  0  0
 22 55  1  0  0  0  0
 23 24  1  0  0  0  0
 23 56  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 58  1  0  0  0  0
 28 59  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 33  1  0  0  0  0
 31 60  1  0  0  0  0
 32 34  1  0  0  0  0
 32 61  1  0  0  0  0
 33 34  2  0  0  0  0
 33 62  1  0  0  0  0
 34 63  1  0  0  0  0
M  END

$$$$
D0OY0U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.077  -1.488   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.902  -1.488   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.315  -0.773   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.902  -0.059   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.077  -0.059   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.335  -0.773   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.437  -2.133   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.253  -2.937   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.490  -3.295   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.233  -2.937   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.417  -2.133   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.838  -3.498   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       2.626  -3.255   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.810  -2.451   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.205  -1.890   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.234  -1.919   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.817  -2.503   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.604  -3.300   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.807  -3.513   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1      -0.335   0.655   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.160   0.655   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.573   1.370   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.160   2.084   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.573   2.799   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.397   2.799   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.810   2.084   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.397   1.370   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1      -1.160   3.513   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -2.810   3.513   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   20                                            
CONECT    6    5    1                                                 
CONECT    7    1    8   16                                            
CONECT    8    7    9   19                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10    2   15                                            
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16    7   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18    8                                                 
CONECT   20    5   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25   28                                            
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   24                                                      
CONECT   29   25                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0OZ1P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.045   1.750   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.045   0.924   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.331   0.512   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.616   0.924   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.616   1.750   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.331   2.162   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.902   0.512   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.187   0.924   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.187   1.750   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.902   2.162   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.698   3.200   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.331  -0.313   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.045  -0.726   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.045  -1.550   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.331  -1.963   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.616  -1.550   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.616  -0.726   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.331  -2.788   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.616  -3.200   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.902  -2.788   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.058   2.302   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.639   1.550   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.045   0.846   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.639   0.142   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.825   0.142   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.407   0.866   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.814   1.571   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.593   0.866   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       0.176   1.588   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -0.646   1.588   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -1.060   0.870   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   12                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   21                                            
CONECT   11   21                                                      
CONECT   12    3   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19                                                      
CONECT   21   10   11   30                                            
CONECT   22   23   27                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   22                                                 
CONECT   28   26   29                                                 
CONECT   29   28   30                                                 
CONECT   30   21   29   31                                            
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0OZ8W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429   0.290   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.429  -0.535   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.715  -0.948   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000  -0.535   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.000   0.290   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.715   0.702   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.715  -0.948   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.715  -1.773   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.429  -2.185   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.143  -1.773   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.143  -0.948   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.429  -0.535   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.715   1.527   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.000   1.940   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.000   2.765   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       0.715   1.527   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.429   1.940   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.000  -2.185   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.754  -1.850   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1      -1.306  -2.463   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1      -0.893  -3.177   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1      -0.086  -3.006   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.143   1.527   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.858   1.940   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.858   2.765   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.143   3.177   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.429   2.765   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.143   0.702   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.858   0.290   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.858  -0.535   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.572  -0.948   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.143  -0.948   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.143   1.527   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.858   1.940   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.429   1.940   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.858   2.765   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.429   2.765   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       3.572   3.177   0.000  1.00  0.00           C  
CONECT    1    2    6   28                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   13                                            
CONECT    7    4    8   12                                            
CONECT    8    7    9   18                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    6   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17                                                 
CONECT   17   16   23   27                                            
CONECT   18    8   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   18                                                 
CONECT   23   17   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   38                                            
CONECT   26   25   27                                                 
CONECT   27   26   17                                                 
CONECT   28    1   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   28   34   35                                            
CONECT   34   33   36                                                 
CONECT   35   33   37                                                 
CONECT   36   34                                                      
CONECT   37   35                                                      
CONECT   38   25                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0P0ES
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.226   0.498   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       3.023   0.712   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       3.606   0.129   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       4.403   0.342   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       4.986  -0.241   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       4.773  -1.038   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       5.356  -1.621   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       6.153  -1.408   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       6.367  -0.611   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       5.783  -0.028   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       7.163  -0.398   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       7.747  -0.981   0.000  1.00  0.00           C  
HETATM   13  F   UNL     1       7.533  -1.778   0.000  1.00  0.00           F  
HETATM   14  F   UNL     1       8.461  -1.393   0.000  1.00  0.00           F  
HETATM   15  F   UNL     1       8.461  -0.569   0.000  1.00  0.00           F  
HETATM   16  O   UNL     1       3.393  -0.668   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.643   1.082   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.846   0.868   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.632   0.071   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.215  -0.512   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1       2.012  -0.298   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.165  -0.142   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.748   0.441   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.545   0.228   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.128   0.811   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.925   0.598   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.567   1.117   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.258   0.667   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -4.045  -0.130   0.000  1.00  0.00           N  
HETATM   30  N   UNL     1      -3.221  -0.173   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -5.029   0.963   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1      -5.670   0.444   0.000  1.00  0.00           N  
HETATM   33  O   UNL     1      -5.158   1.778   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1      -6.440   0.740   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.081   0.220   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1      -7.878   0.434   0.000  1.00  0.00           N  
HETATM   37  C   UNL     1      -8.461  -0.150   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.248  -0.946   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.451  -1.160   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.867  -0.577   0.000  1.00  0.00           C  
CONECT    1    2   17   21                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   16                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   10                                            
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13   14   15                                       
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15   12                                                      
CONECT   16    3                                                      
CONECT   17    1   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20    1                                                 
CONECT   22   19   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   26                                                 
CONECT   31   28   32   33                                            
CONECT   32   31   34                                                 
CONECT   33   31                                                      
CONECT   34   32   35                                                 
CONECT   35   34   36   40                                            
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   35                                                 
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0P0KY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.418  -1.276   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.418  -2.101   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.703  -2.513   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.989  -2.101   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.989  -1.276   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.703  -0.863   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.274  -2.513   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.560  -2.101   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.560  -1.276   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.274  -0.863   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.155  -0.863   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.155  -0.038   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.560   0.374   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.274  -0.038   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.939  -1.118   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.424  -0.451   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.939   0.217   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.249  -0.451   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.132  -2.513   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.989  -0.451   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.155   0.787   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.194   1.001   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       0.642   1.615   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       1.895   1.087   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       2.258   1.828   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.081   1.884   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       1.798   2.513   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       2.734  -1.118   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.519  -0.863   0.000  1.00  0.00           C  
HETATM   30  S   UNL     1       3.519  -0.038   0.000  1.00  0.00           S  
HETATM   31  C   UNL     1       2.734   0.217   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.563  -1.925   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.176  -2.477   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.960  -2.222   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.132  -1.415   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   19                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10   20                                       
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12   15                                            
CONECT   12   11   13   17   21                                       
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   12   22                                            
CONECT   18   16   28   31                                            
CONECT   19    2                                                      
CONECT   20    5                                                      
CONECT   21   12                                                      
CONECT   22   17   23   24                                            
CONECT   23   22                                                      
CONECT   24   25   22                                                 
CONECT   25   24   26   27                                            
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   18   29   32                                            
CONECT   29   28   30   35                                            
CONECT   30   29   31                                                 
CONECT   31   30   18                                                 
CONECT   32   28   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   29                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END

$$$$

$$$$

$$$$
D0P0MR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.095   1.650   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.095   0.825   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.381   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.666   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.666   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.381   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.952   0.412   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.238   0.825   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.523   0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.191   0.825   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.906   0.412   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.523  -0.412   0.000  1.00  0.00           O  
HETATM   13  H   UNL     1       0.191   1.650   0.000  1.00  0.00           H  
HETATM   14  C   UNL     1       0.906  -0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.620  -0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.335  -0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.335   0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.620   0.825   0.000  1.00  0.00           C  
HETATM   19  F   UNL     1       3.049   0.825   0.000  1.00  0.00           F  
HETATM   20  N   UNL     1      -3.381  -0.412   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.095  -0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.095  -1.650   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.381  -2.062   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.666  -1.650   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.666  -0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.381  -2.888   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.810   2.062   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1      -5.524   1.650   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -4.810   2.888   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -5.524   2.475   0.000  1.00  0.00           F  
HETATM   31  C   UNL     1       3.049  -0.825   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       3.874  -0.825   0.000  1.00  0.00           N  
HETATM   33  S   UNL     1       4.699  -0.825   0.000  1.00  0.00           S  
HETATM   34  C   UNL     1       5.524  -0.825   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1       4.699   0.000   0.000  1.00  0.00           O  
HETATM   36  O   UNL     1       4.699  -1.650   0.000  1.00  0.00           O  
CONECT    1    2    6   27                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   20                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11   13                                            
CONECT   11   10   14   18                                            
CONECT   12    9                                                      
CONECT   13   10                                                      
CONECT   14   11   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   31                                            
CONECT   17   16   18   19                                            
CONECT   18   17   11                                                 
CONECT   19   17                                                      
CONECT   20    3   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23                                                      
CONECT   27    1   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
CONECT   31   16   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   35   36                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0P0OH
  -OEChem-09301911112D

 34 36  0     0  0  0  0  0  0999 V2000
    8.1282   -0.7379    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.7379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.7621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    0.7967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    1.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    1.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038   -2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -1.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    1.4167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7252    2.0721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    0.4521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    2.8821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    2.0721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3839   -2.2645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0062   -2.8821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6238   -2.2597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6238    1.7838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0062    2.4062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3839    1.7886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 13  1  0  0  0  0
  2 15  1  0  0  0  0
  3 11  1  0  0  0  0
  3 21  1  0  0  0  0
  4 12  1  0  0  0  0
  4 22  1  0  0  0  0
  5 15  2  0  0  0  0
  6  8  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 15  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
 10 12  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 25  1  0  0  0  0
 18 20  1  0  0  0  0
 18 26  1  0  0  0  0
 19 20  2  0  0  0  0
 19 27  1  0  0  0  0
 20 28  1  0  0  0  0
 21 29  1  0  0  0  0
 21 30  1  0  0  0  0
 21 31  1  0  0  0  0
 22 32  1  0  0  0  0
 22 33  1  0  0  0  0
 22 34  1  0  0  0  0
M  END

$$$$
D0P0PT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.944  -0.028   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.229  -0.441   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.515  -0.028   0.000  1.00  0.00           N  
HETATM    4  N   UNL     1      -0.200  -0.441   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.914  -0.028   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.914   0.797   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1      -1.629  -0.441   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.343  -0.028   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.058  -0.441   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.772  -0.028   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.487  -0.441   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.487  -1.266   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.772  -1.678   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.058  -1.266   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.697  -0.364   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.249   0.249   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.837   0.964   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       2.030   0.792   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       4.074   0.249   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.487   0.964   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.074   1.678   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.249   1.678   0.000  1.00  0.00           C  
CONECT    1    2   15   18                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5                                                      
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    1   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18   22                                            
CONECT   18   17    1                                                 
CONECT   19   16   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0P0WF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.082  -2.601   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.082  -3.426   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.367  -3.839   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.653  -3.426   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.653  -2.601   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.367  -2.189   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.695  -3.978   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -2.359  -4.732   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.539  -4.646   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.367  -1.364   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.082  -0.951   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.082  -0.126   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.796  -1.364   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1      -1.414   0.359   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.669   1.143   0.000  1.00  0.00           C  
HETATM   16  S   UNL     1      -2.494   1.143   0.000  1.00  0.00           S  
HETATM   17  C   UNL     1      -2.749   0.359   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.184   1.811   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.359   1.811   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1      -0.104   2.595   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.772   3.080   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.439   2.595   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.062  -2.189   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.776  -2.601   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.491  -2.189   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.491  -1.364   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.776  -0.951   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.062  -1.364   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.776  -0.126   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       1.491   0.286   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       2.244  -0.049   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.796   0.564   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.384   1.278   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.577   1.107   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.773   3.907   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1      -1.598   3.907   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -0.773   4.732   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1       0.052   3.907   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   23                                            
CONECT    6    5    1   10                                            
CONECT    7    2    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    3                                                 
CONECT   10    6   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11   14   17                                            
CONECT   13   11                                                      
CONECT   14   12   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   35                                            
CONECT   22   21   18                                                 
CONECT   23    5   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   23                                                 
CONECT   29   27   30                                                 
CONECT   30   29   31   34                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   30                                                 
CONECT   35   21   36   37   38                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END

$$$$

$$$$

$$$$
D0P1AH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.043   1.514   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.043   0.690   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.329   0.277   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.615   0.690   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.615   1.514   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.329   1.927   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1      -3.157  -0.529   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.337  -0.616   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.002   0.138   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.900   1.927   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.195   0.309   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.388   0.481   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.419   0.652   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.971   0.039   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.777   0.211   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.032   0.995   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.480   1.608   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.674   1.437   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.329  -0.402   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       3.136  -0.231   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       3.719  -0.814   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.709  -1.143   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.516  -0.971   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.454  -1.927   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       2.075  -1.187   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       3.933  -1.611   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.516  -1.027   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    3    8   22                                            
CONECT    8    7    9                                                 
CONECT    9    8    4   11                                            
CONECT   10    5                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   15   20   25                                            
CONECT   20   19   21                                                 
CONECT   21   20   26   27                                            
CONECT   22    7   23   24                                            
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25   19                                                      
CONECT   26   21   27                                                 
CONECT   27   26   21                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0P1BE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.877   1.178   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.066   1.315   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.779   2.086   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.303   2.719   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.114   2.582   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.401   1.811   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.542   0.681   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.747  -0.115   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1      -1.052  -0.555   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1      -0.419  -0.031   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.722   0.733   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1       0.352  -0.318   0.000  1.00  0.00           N  
HETATM   13  S   UNL     1       0.985   0.206   0.000  1.00  0.00           S  
HETATM   14  C   UNL     1       1.804   0.129   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.146  -0.619   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.964  -0.697   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.441  -0.026   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.098   0.721   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.280   0.799   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       4.259  -0.104   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       4.735   0.566   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       3.306  -1.444   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       2.830  -2.114   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       0.643   0.954   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1       1.327  -0.542   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.543  -0.328   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.757  -1.125   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.554  -1.339   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.767  -2.136   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.184  -2.719   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.387  -2.506   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.174  -1.709   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1      -4.211   1.674   0.000  1.00  0.00           N1+
HETATM   34  O   UNL     1      -4.735   2.308   0.000  1.00  0.00           O  
HETATM   35  O   UNL     1      -4.498   0.904   0.000  1.00  0.00           O1-
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6   33    5    1                                            
CONECT    7    2    8   11                                            
CONECT    8    7    9   26                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10    7                                                 
CONECT   12   10   13                                                 
CONECT   13   12   14   24   25                                       
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   22                                            
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21                                                 
CONECT   21   20                                                      
CONECT   22   16   23                                                 
CONECT   23   22                                                      
CONECT   24   13                                                      
CONECT   25   13                                                      
CONECT   26    8   27                                                 
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   34   35    6                                            
CONECT   34   33                                                      
CONECT   35   33                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0P1HR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.199   2.681   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.199   1.856   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.484   1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.770   1.856   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.770   2.681   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.484   3.094   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.484   0.619   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.770   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.055   0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.659   0.206   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.770  -0.619   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1      -1.484  -1.031   0.000  1.00  0.00           O  
HETATM   13  S   UNL     1       0.659  -0.619   0.000  1.00  0.00           S  
HETATM   14  C   UNL     1       1.374  -1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.374  -1.856   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.272   0.758   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       0.937   1.512   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       0.116   1.426   0.000  1.00  0.00           N  
HETATM   19  F   UNL     1      -1.484   3.919   0.000  1.00  0.00           F  
HETATM   20 BR   UNL     1      -2.913   3.094   0.000  1.00  0.00          Br  
HETATM   21  N   UNL     1       2.088  -2.269   0.000  1.00  0.00           N  
HETATM   22  S   UNL     1       2.088  -3.094   0.000  1.00  0.00           S  
HETATM   23  N   UNL     1       2.088  -3.919   0.000  1.00  0.00           N  
HETATM   24  O   UNL     1       1.263  -3.094   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1       2.913  -3.094   0.000  1.00  0.00           O  
CONECT    1    2    6   20                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   19                                            
CONECT    7    3    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10   18                                            
CONECT   10    9   13   16                                            
CONECT   11    8   12                                                 
CONECT   12   11                                                      
CONECT   13   10   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   21                                                 
CONECT   16   10   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17    9                                                 
CONECT   19    6                                                      
CONECT   20    1                                                      
CONECT   21   15   22                                                 
CONECT   22   21   23   24   25                                       
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25   22                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0P1KV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.893  -2.396   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.893  -3.221   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.179  -3.634   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.464  -3.221   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.464  -2.396   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.179  -1.984   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.179  -1.159   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.607  -3.634   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.464  -0.746   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.464   0.079   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.750   0.491   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.750   1.316   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.464   1.729   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.179   1.316   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.179   0.491   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.035   0.236   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.520   0.904   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.035   1.571   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.035   2.396   0.000  1.00  0.00           C  
HETATM   20  H   UNL     1      -0.750  -0.334   0.000  1.00  0.00           H  
HETATM   21  C   UNL     1      -0.663   2.137   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.750   2.809   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.464   2.396   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.179   2.809   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.893   2.396   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.607   2.809   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.679   2.809   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.893   1.571   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.179   3.634   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.750  -1.984   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -0.750  -3.634   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   31                                            
CONECT    5    4    6   30                                            
CONECT    6    5    1    7                                            
CONECT    7    6    9                                                 
CONECT    8    2                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12   16   20                                       
CONECT   12   11   13   18   21                                       
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   11   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   12   19                                            
CONECT   19   18   22   27                                            
CONECT   20   11                                                      
CONECT   21   12                                                      
CONECT   22   19   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26   28                                            
CONECT   26   25                                                      
CONECT   27   19                                                      
CONECT   28   25                                                      
CONECT   29   24                                                      
CONECT   30    5                                                      
CONECT   31    4                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0P1TH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.040   0.584   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.865   0.584   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.277   1.299   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.865   2.013   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.040   2.013   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.627   1.299   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.198   1.299   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.683   1.966   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.467   1.711   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.467   0.886   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.683   0.631   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.182   2.124   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.896   1.711   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.896   0.886   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.182   0.474   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.182   2.949   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.611   0.474   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.428  -0.153   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.980  -0.766   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.725  -1.551   0.000  1.00  0.00           N  
HETATM   21  O   UNL     1      -1.787  -0.595   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.277  -2.164   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.082  -1.723   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.022  -2.949   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.337  -2.507   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.896   1.356   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       3.611   0.943   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   26                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11   15                                            
CONECT   11   10    7   18                                            
CONECT   12    9   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   10                                                 
CONECT   16   12                                                      
CONECT   17   14                                                      
CONECT   18   11   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   22   23                                            
CONECT   21   19                                                      
CONECT   22   20   24                                                 
CONECT   23   20   25                                                 
CONECT   24   22                                                      
CONECT   25   23                                                      
CONECT   26    3   27                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0P2AB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.946  -0.501   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.732   0.295   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.092   0.339   0.000  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.387  -0.432   0.000  1.00  0.00           O  
HETATM    5  C   UNL     1       0.254  -0.951   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.254  -1.776   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -0.675   0.922   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1      -1.472   0.708   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.055   1.292   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.852   1.078   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.066   0.281   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.482  -0.302   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.685  -0.088   0.000  1.00  0.00           N  
HETATM   14 CL   UNL     1      -3.863   0.068   0.000  1.00  0.00          Cl  
HETATM   15  C   UNL     1       1.316   0.879   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.112   0.665   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.696   1.249   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.482   2.046   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.685   2.259   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.102   1.676   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.066   2.629   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.649   3.212   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.852   3.426   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       3.863   2.415   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.461  -2.188   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.461  -3.013   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       0.254  -3.426   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       0.968  -3.013   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.968  -2.188   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3   15                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    1    6                                            
CONECT    6    5   25   29                                            
CONECT    7    3    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11                                                      
CONECT   15    2   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22   23   24                                       
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24   21                                                      
CONECT   25    6   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28    6                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0P2BJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572  -0.468   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572  -1.293   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.857  -1.705   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143  -1.293   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143  -0.468   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.857  -0.055   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.428  -1.705   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.714  -1.293   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.714  -0.468   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.428  -0.055   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.428   0.770   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1       0.001  -0.055   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.001   0.770   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.715   1.182   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.714   1.182   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.430   0.770   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.144   1.182   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.144   2.007   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.430   2.420   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.715   2.007   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1       0.001   2.420   0.000  1.00  0.00          Cl  
HETATM   22  C   UNL     1       0.001  -1.705   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.413  -2.420   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.826  -1.705   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       2.857   1.184   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       3.572   0.771   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   22                                            
CONECT    9    8   10   12                                            
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    9   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13   16   20                                            
CONECT   15   13                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18   25                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   14   21                                            
CONECT   21   20                                                      
CONECT   22    8   23   24                                            
CONECT   23   22   24                                                 
CONECT   24   23   22                                                 
CONECT   25   17   26                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0P3DS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.086   0.206   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.086  -0.619   0.000  1.00  0.00           N  
HETATM    3  N   UNL     1       0.801  -1.031   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.515  -0.619   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.515   0.206   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.801   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.699   0.461   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.183  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.699  -0.874   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       0.801   1.444   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       2.229   0.619   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.229   1.444   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.944   1.856   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.944   2.681   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.229   3.094   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.515   2.681   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.515   1.856   0.000  1.00  0.00           C  
HETATM   18  F   UNL     1       0.801   3.094   0.000  1.00  0.00           F  
HETATM   19  N   UNL     1       2.229  -1.031   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.229  -1.856   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.944  -2.269   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.659  -1.856   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.659  -1.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.944  -0.619   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.944  -3.094   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.421  -0.921   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.246  -0.921   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.659  -1.635   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.246  -2.350   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.421  -2.350   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.009  -1.635   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.659  -3.064   0.000  1.00  0.00           C  
HETATM   33  S   UNL     1      -2.010  -0.206   0.000  1.00  0.00           S  
HETATM   34  O   UNL     1      -2.785   0.076   0.000  1.00  0.00           O  
HETATM   35  O   UNL     1      -1.866   0.606   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1       3.657   1.447   0.000  1.00  0.00           C  
HETATM   37  N   UNL     1       2.832   1.447   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   19                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1   10                                            
CONECT    7    1    8                                                 
CONECT    8    7    9   33                                            
CONECT    9    8    2                                                 
CONECT   10    6                                                      
CONECT   11    5   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   36                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   12                                                 
CONECT   18   16                                                      
CONECT   19    4   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   21                                                      
CONECT   26   27   31   33                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   29                                                      
CONECT   33    8   26   34   35                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   13   37                                                 
CONECT   37   36                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0P3EG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.094  -0.953   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.094  -1.778   0.000  1.00  0.00           N  
HETATM    3  N   UNL     1      -0.309  -2.032   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.176  -1.365   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1      -0.309  -0.698   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1      -1.761  -0.468   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.998  -1.365   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.409  -2.077   0.000  1.00  0.00           N  
HETATM    9  S   UNL     1       2.228  -2.077   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1       2.638  -2.787   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.638  -1.367   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       1.819  -2.787   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.675   0.353   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.342   0.838   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.096   0.502   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.182  -0.318   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.515  -0.803   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.601  -1.624   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.352  -1.958   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.409  -0.653   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.999   0.057   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.409   0.766   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       2.228   0.766   0.000  1.00  0.00           O  
HETATM   24  N   UNL     1       0.999   1.476   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       0.183   1.476   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.225   2.183   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.638  -3.611   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.352  -3.199   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.187   2.897   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -0.225   3.611   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -1.050   3.611   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.463   2.897   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.050   2.183   0.000  1.00  0.00           C  
CONECT    1    2    5    6                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    1                                                 
CONECT    6    1   13   17                                            
CONECT    7    4    8   20                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11   12                                       
CONECT   10    9   27   28                                            
CONECT   11    9                                                      
CONECT   12    9                                                      
CONECT   13    6   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16    6   18                                            
CONECT   18   17   19                                                 
CONECT   19   18                                                      
CONECT   20    7   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   29   33                                            
CONECT   27   10   28                                                 
CONECT   28   27   10                                                 
CONECT   29   26   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   26                                                 
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0P3MU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.605   1.517   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.605   0.692   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.320   0.280   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.034   0.692   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.034   1.517   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.320   1.930   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.109   0.280   0.000  1.00  0.00           C  
HETATM    8  B   UNL     1       2.749   1.930   0.000  1.00  0.00           B  
HETATM    9  O   UNL     1       2.749   2.755   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1       3.463   1.517   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1      -0.824   0.692   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1      -1.437   0.140   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.101  -0.614   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.281  -0.527   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.514  -1.328   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.339  -1.328   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.751  -2.043   0.000  1.00  0.00           C  
HETATM   18  F   UNL     1      -3.463  -1.632   0.000  1.00  0.00           F  
HETATM   19  F   UNL     1      -3.162  -2.755   0.000  1.00  0.00           F  
HETATM   20  F   UNL     1      -2.039  -2.454   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2   11   14                                            
CONECT    8    5    9   10                                            
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11    7   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13    7                                                 
CONECT   15   13   16                                                 
CONECT   16   17   15                                                 
CONECT   17   18   19   20   16                                       
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20   17                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0P3PT
  -OEChem-09301911172D

 60 64  0     1  0  0  0  0  0999 V2000
    3.6333   -2.9617    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.6450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8202    2.2617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0400   -2.0482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5468   -3.3684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7197   -2.5550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8076    1.3768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6737    2.8768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6199    2.5721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8076    4.3768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2265   -3.8752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8590   -0.3256    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9416    0.8768    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3590    0.5404    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8371   -0.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0281    1.2836    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4522   -1.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8076    2.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9416    2.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6737    3.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9416    3.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6199    4.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2035    3.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2035    3.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7035    2.5108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7035    4.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7035    2.5108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7035    4.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2035    3.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2035    1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7035    0.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2035    1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2035   -0.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7035    0.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2035   -0.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2491   -0.8074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4616    0.5392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1368    1.1192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9019   -0.7343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4571   -0.1177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5099    1.6738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9382   -0.8924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0215   -1.6851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3446    1.0668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2305    2.4533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4047    2.5668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4047    4.1868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8125    4.7709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5910   -4.3768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6099   -3.9401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3935    1.9739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3935    4.7798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0135    4.7798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8235    3.3768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0835    0.7788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5135    2.1817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8935   -0.6242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3235    0.7788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5135   -0.6242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1 11  1  0  0  0  0
 14  2  1  1  0  0  0
  2 45  1  0  0  0  0
 16  3  1  1  0  0  0
  3 46  1  0  0  0  0
  4 17  1  0  0  0  0
 13  7  1  6  0  0  0
  7 18  1  0  0  0  0
  7 44  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  8 20  1  0  0  0  0
  9 23  2  0  0  0  0
 10 20  1  0  0  0  0
 10 21  2  0  0  0  0
 11 50  1  0  0  0  0
 11 51  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 17  1  6  0  0  0
 12 36  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 37  1  0  0  0  0
 14 16  1  0  0  0  0
 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 19  2  0  0  0  0
 19 21  1  0  0  0  0
 19 47  1  0  0  0  0
 20 22  2  0  0  0  0
 21 48  1  0  0  0  0
 22 23  1  0  0  0  0
 22 49  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 52  1  0  0  0  0
 26 28  1  0  0  0  0
 26 53  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
 28 54  1  0  0  0  0
 29 55  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 56  1  0  0  0  0
 32 34  2  0  0  0  0
 32 57  1  0  0  0  0
 33 35  2  0  0  0  0
 33 58  1  0  0  0  0
 34 35  1  0  0  0  0
 34 59  1  0  0  0  0
 35 60  1  0  0  0  0
M  END

$$$$
D0P3UH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.344  -2.062   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.344  -2.888   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.630  -3.300   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.915  -2.888   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.915  -2.062   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.630  -1.650   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.131  -3.142   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.646  -2.475   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.131  -1.808   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -2.630  -0.825   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.915  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.201  -0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.486  -0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.486   0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.201   0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.915   0.412   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.201   1.650   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.915   2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.915   2.888   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.630   3.300   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.630   1.650   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       0.179  -2.475   0.000  1.00  0.00           C  
HETATM   23 CL   UNL     1      -4.059  -1.650   0.000  1.00  0.00          Cl  
HETATM   24  C   UNL     1       0.592  -3.189   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.417  -3.189   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.829  -2.475   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.417  -1.761   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.592  -1.761   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.654  -2.475   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       3.067  -1.761   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       3.887  -1.674   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.059  -0.867   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.344  -0.455   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.731  -1.007   0.000  1.00  0.00           C  
CONECT    1    2    6   23                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   22                                            
CONECT    9    8    5                                                 
CONECT   10    6   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   11                                                 
CONECT   17   15   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19                                                      
CONECT   21   18                                                      
CONECT   22    8   24   28                                            
CONECT   23    1                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   22                                                 
CONECT   29   26   30                                                 
CONECT   30   29   31   34                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   30                                                 
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0P3VK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.208  -0.920   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.525  -0.542   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.219  -0.988   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.953  -0.610   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1       0.565   0.282   0.000  1.00  0.00           O  
HETATM    6  N   UNL     1       2.689  -0.982   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1       3.270  -0.395   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.892   0.338   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.078   0.205   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.822  -1.796   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.184  -2.318   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.316  -3.132   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.088  -3.424   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.727  -2.902   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.594  -2.088   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.922  -0.508   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.184   1.109   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.492   0.786   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.999   1.242   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       4.291   2.014   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       3.768   2.653   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.954   2.520   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.662   1.748   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.061   3.424   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.009   0.313   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.816   0.484   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.228  -0.230   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.676  -0.843   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.228   1.199   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.053   1.199   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.466   1.913   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.291   1.913   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.848  -1.650   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.632  -1.905   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.804  -2.712   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.191  -3.264   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.406  -3.009   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.235  -2.202   0.000  1.00  0.00           C  
HETATM   39  F   UNL     1      -3.588  -2.967   0.000  1.00  0.00           F  
CONECT    1    2   16                                                 
CONECT    2    1    3    5                                            
CONECT    3    2    4                                                 
CONECT    4    3    6    9                                            
CONECT    5    2                                                      
CONECT    6    4    7   10                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   17                                            
CONECT    9    8    4   18                                            
CONECT   10    6   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    1   25   28                                            
CONECT   17    8   19   23                                            
CONECT   18    9                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   17                                                 
CONECT   24   21                                                      
CONECT   25   16   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   16   33                                            
CONECT   29   26   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31                                                      
CONECT   33   28   34   38                                            
CONECT   34   33   35                                                 
CONECT   35   34   36   39                                            
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   33                                                 
CONECT   39   35                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0P3YA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.459   2.805   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.459   1.980   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.814   1.466   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.010   1.649   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.348   2.392   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.010   3.136   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1      -0.814   3.319   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.227   1.679   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.350   0.863   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.705   0.348   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.937   0.650   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.455   0.968   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.278   1.029   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.636   1.772   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.171   2.454   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.199   0.281   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.014  -0.516   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.700  -0.929   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.487  -1.726   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.070  -2.309   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.857  -3.106   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.060  -3.319   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.524  -2.736   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.310  -1.939   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.202   3.163   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       2.350   2.185   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.350   1.360   0.000  1.00  0.00           C  
CONECT    1    2    7   25                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4   11                                            
CONECT    4    3    5   12                                            
CONECT    5    4    6   15                                            
CONECT    6    5    7                                                 
CONECT    7    6    1                                                 
CONECT    8    2    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    3   16                                            
CONECT   12    4   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   26   27                                       
CONECT   15   14    5                                                 
CONECT   16   11   12   17                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25    1                                                      
CONECT   26   14                                                      
CONECT   27   14                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0P4NF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858  -2.062   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858  -2.888   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -3.300   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429  -2.888   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429  -2.062   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1      -2.143  -1.650   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.572  -1.650   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.714  -1.650   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1      -2.143  -4.125   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1      -4.287  -2.062   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1      -3.572  -3.300   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -0.714  -3.300   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.000  -2.062   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       0.000  -2.888   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       0.714  -3.300   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.429  -2.888   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.429  -2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.714  -1.650   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.714  -0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.143  -3.300   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       2.143  -4.125   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       2.858  -2.888   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       3.572  -3.300   0.000  1.00  0.00           C  
HETATM   25  H   UNL     1       0.000  -1.238   0.000  1.00  0.00           H  
HETATM   26  C   UNL     1       2.143  -1.650   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.143  -0.825   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       1.429  -0.412   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1       2.858  -0.412   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       2.858   0.412   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.572   0.825   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.572   1.650   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.287   2.062   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.287   2.888   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.572   3.300   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.858   2.888   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       2.858   2.062   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1       3.572   4.125   0.000  1.00  0.00           O  
HETATM   39  O   UNL     1       2.143   3.300   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5   12                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    1   10                                                 
CONECT    8    5   13                                                 
CONECT    9    3                                                      
CONECT   10    7                                                      
CONECT   11    2                                                      
CONECT   12    4                                                      
CONECT   13    8   14   18   25                                       
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18   26                                            
CONECT   18   17   13   19                                            
CONECT   19   18   20                                                 
CONECT   20   19                                                      
CONECT   21   16   22   23                                            
CONECT   22   21                                                      
CONECT   23   21   24                                                 
CONECT   24   23                                                      
CONECT   25   13                                                      
CONECT   26   17   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27                                                      
CONECT   29   27   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   37                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36   38                                            
CONECT   36   35   37   39                                            
CONECT   37   36   32                                                 
CONECT   38   35                                                      
CONECT   39   36                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0P4NP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.444   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.444   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.730  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.015   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.015   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.730   1.444   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.301  -0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.414   0.206   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.128  -0.206   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.843   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.843   1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.128   1.444   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.414   1.031   0.000  1.00  0.00           N  
HETATM   14  F   UNL     1       2.557   1.444   0.000  1.00  0.00           F  
HETATM   15  C   UNL     1       2.557  -0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.557  -1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.272  -1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.986  -1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.986  -0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.272   0.206   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       3.272   1.031   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       3.986   1.444   0.000  1.00  0.00           C  
HETATM   23  F   UNL     1       4.700  -1.444   0.000  1.00  0.00           F  
HETATM   24  C   UNL     1      -3.159  -0.206   0.000  1.00  0.00           C  
HETATM   25  S   UNL     1      -3.873   0.206   0.000  1.00  0.00           S  
HETATM   26  O   UNL     1      -3.461   0.921   0.000  1.00  0.00           O  
HETATM   27  N   UNL     1      -4.286  -0.508   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -4.588   0.619   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.588   1.444   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.875  -1.220   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -4.700  -1.220   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   24                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11                                                      
CONECT   15   10   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20   22                                                 
CONECT   22   21                                                      
CONECT   23   18                                                      
CONECT   24    2   25                                                 
CONECT   25   24   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25   30                                                 
CONECT   28   25   29                                                 
CONECT   29   28                                                      
CONECT   30   27   31                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0P4NQ
  -OEChem-09301911132D

 53 57  0     1  0  0  0  0  0999 V2000
    7.2066    0.4029    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9386    3.4029    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6152   -1.1316    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.5101   -3.6214    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8833   -1.1516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5921    0.8683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3405    1.9029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2066    3.4029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4986   -2.6214    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3588   -2.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6268   -2.1315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3472   -1.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4754   -0.6216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7435   -0.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7319    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8602    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5806    1.8682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0116   -0.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4745    2.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6745    2.3821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4745    3.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5806    3.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6745    3.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3405    3.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2066    2.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0726    1.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0726    0.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9386    2.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9386    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8046    1.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8046    0.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0390   -2.9252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5775   -2.6916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9680   -1.9968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0150   -2.0309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4215   -2.7165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9590   -1.2121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5525   -0.5265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8684   -0.1421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0714   -0.1513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0506   -3.9252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9768   -3.9376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1326    0.5645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8530    1.4682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4782   -0.9778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1388    2.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5877    4.5575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1388    3.7358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3405    4.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9386   -0.2171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3416    2.2129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3416    0.5929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3 12  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
 10  4  1  6  0  0  0
  4 42  1  0  0  0  0
  4 43  1  0  0  0  0
  5 15  2  0  0  0  0
  5 19  1  0  0  0  0
  6 16  1  0  0  0  0
  6 18  1  0  0  0  0
  6 44  1  0  0  0  0
  7 17  1  0  0  0  0
  7 19  2  0  0  0  0
  8 20  2  0  0  0  0
  8 26  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 11 13  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 45  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 46  1  0  0  0  0
 20 22  1  0  0  0  0
 21 24  1  0  0  0  0
 21 47  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  2  0  0  0  0
 23 24  2  0  0  0  0
 23 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 50  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 30 51  1  0  0  0  0
 31 32  1  0  0  0  0
 31 52  1  0  0  0  0
 32 53  1  0  0  0  0
M  END

$$$$
D0P5MY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287  -1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287  -2.062   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572  -2.475   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858  -2.062   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858  -1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.572  -0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.143  -0.825   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.429  -1.238   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.715  -0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.000  -1.238   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.715  -0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.715   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.000   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.715   0.000   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM   16  CA  UNL     1       1.429   1.238   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.143   1.650   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       2.858   1.238   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.572   1.650   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       4.287   1.238   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       0.715   1.650   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       0.000   1.238   0.000  1.00  0.00           O  
HETATM   23  OXT UNL     1       0.715   2.475   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       2.858   0.412   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1       3.572   2.475   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   24                                            
CONECT   19   18   20   25                                            
CONECT   20   19                                                      
CONECT   21   16   22   23                                            
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24   18                                                      
CONECT   25   19                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0P5SB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.934   0.339   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.220  -0.074   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.505   0.339   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.209  -0.074   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.924   0.339   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.638  -0.074   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.924   1.164   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       0.209  -0.899   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.147   1.135   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.971   1.179   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.267   0.408   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1      -2.626  -0.111   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.626  -0.936   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.340  -1.348   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.340  -2.173   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.626  -2.586   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.911  -2.173   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.911  -1.348   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -1.197  -2.586   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1       1.638  -0.899   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.353  -1.311   0.000  1.00  0.00           N  
HETATM   22  CA  UNL     1       3.067  -0.899   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.067  -0.074   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.353   0.339   0.000  1.00  0.00           C  
HETATM   25  H   UNL     1       3.782   0.339   0.000  1.00  0.00           H  
HETATM   26  C   UNL     1      -3.424   1.871   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -4.138   1.459   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -3.836   2.586   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -2.709   2.284   0.000  1.00  0.00           F  
HETATM   30  C   UNL     1       3.424  -1.105   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       4.138  -1.518   0.000  1.00  0.00           O  
CONECT    1    2    9   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5   20   24                                            
CONECT    7    5                                                      
CONECT    8    4                                                      
CONECT    9    1   10                                                 
CONECT   10    9   11   26                                            
CONECT   11   10   12                                                 
CONECT   12   11    1   13                                            
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   13                                                 
CONECT   19   17                                                      
CONECT   20    6   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   30                                            
CONECT   23   22   24   25                                            
CONECT   24   23    6                                                 
CONECT   25   23                                                      
CONECT   26   10   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30   22   31                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0P5SF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.126  -1.073   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.132  -0.248   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.919   0.001   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.399  -0.670   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.909  -1.334   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.523   0.308   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.700   1.114   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.487   1.363   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.096   0.807   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.075  -2.142   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.458  -2.689   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.675  -2.429   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.509  -1.621   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       0.274  -1.360   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       0.988  -1.773   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.664   2.169   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.091   1.671   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.116   2.786   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.534   3.498   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1      -2.340   3.320   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.420   2.499   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.706   1.457   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.295   2.706   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.132   2.082   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.623  -3.498   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.988  -2.598   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.703  -3.010   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       2.417  -2.598   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       2.417  -1.773   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.703  -1.360   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.132  -1.360   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.132  -0.535   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.417  -0.123   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.703  -0.535   0.000  1.00  0.00           C  
CONECT    1    2    5   13                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    1   10                                            
CONECT    6    2    7                                                 
CONECT    7    6    8   17                                            
CONECT    8    7    9   16                                            
CONECT    9    8    3                                                 
CONECT   10    5   11                                                 
CONECT   11   10   12   25                                            
CONECT   12   11   13                                                 
CONECT   13   12    1   14                                            
CONECT   14   13   15                                                 
CONECT   15   14   26   30                                            
CONECT   16    8   18   21                                            
CONECT   17    7   22                                                 
CONECT   18   16   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16   24                                            
CONECT   22   17                                                      
CONECT   23   18                                                      
CONECT   24   21                                                      
CONECT   25   11                                                      
CONECT   26   15   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29   15   34                                            
CONECT   31   29   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   30                                                 
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0P6GJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.085  -1.354   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.085  -2.179   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.371  -2.591   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.656  -2.179   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.656  -1.354   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.371  -0.941   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.059  -2.591   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.773  -2.179   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.773  -1.354   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.059  -0.941   0.000  1.00  0.00           C  
HETATM   11  S   UNL     1       0.059  -0.116   0.000  1.00  0.00           S  
HETATM   12  O   UNL     1      -0.766  -0.116   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1       0.883  -0.116   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1       0.059   0.709   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.371  -0.116   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.726   1.194   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.471   1.978   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.354   1.978   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.609   1.194   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.533   1.022   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.085   1.635   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.830   2.420   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       1.023   2.591   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   15                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   12   13   14                                       
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14   11   16   19                                            
CONECT   15    6                                                      
CONECT   16   14   17   20                                            
CONECT   17   16   18   23                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   16   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   17                                                 
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0P6PT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.061   1.940   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.061   1.115   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.776   0.703   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.490   1.115   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.490   1.940   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.776   2.353   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.776  -0.122   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.061  -0.535   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.061  -1.360   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.776  -1.772   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.490  -1.360   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.490  -0.535   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.061  -2.185   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.346  -1.772   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       1.061  -3.010   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       2.490  -2.185   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.204  -1.772   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.346   0.703   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.368   1.115   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.082   0.703   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.368   1.940   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.836   1.038   0.000  1.00  0.00           C  
HETATM   23  S   UNL     1      -2.388   0.425   0.000  1.00  0.00           S  
HETATM   24  C   UNL     1      -1.976  -0.289   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.169  -0.118   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1      -2.311  -1.043   0.000  1.00  0.00           N  
HETATM   27  N   UNL     1      -3.118  -1.215   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.204  -2.035   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.451  -2.371   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.899  -1.758   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       1.776   3.178   0.000  1.00  0.00           N  
HETATM   32  F   UNL     1       3.204   0.703   0.000  1.00  0.00           F  
HETATM   33  N   UNL     1      -2.279  -3.178   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5   32                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   31                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13   16                                       
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   10   17                                                 
CONECT   17   16                                                      
CONECT   18    2   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   22   25                                            
CONECT   21   19                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   20                                                 
CONECT   26   24   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   33                                            
CONECT   30   29   26                                                 
CONECT   31    6                                                      
CONECT   32    4                                                      
CONECT   33   29                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END

$$$$

$$$$

$$$$
D0P6WN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.205   0.205   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.205  -0.620   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.491  -1.033   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.776  -0.620   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.776   0.205   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.491   0.617   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.062  -1.033   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.653  -0.620   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.653   0.205   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.062   0.617   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.062   1.442   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.920   0.617   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.367   0.617   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       1.367  -1.033   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1      -3.006   1.438   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.813   1.609   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.225   0.895   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.673   0.282   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.082   0.205   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.796   0.617   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.511   0.205   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.225   0.617   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       4.225   1.442   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       3.511   1.855   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.796   1.442   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.920  -1.033   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.920  -1.855   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2   26    1    3                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   14                                            
CONECT    9    8   10   13                                            
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    1   15   18                                            
CONECT   13    9   19                                                 
CONECT   14    8                                                      
CONECT   15   12   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   12                                                 
CONECT   19   13   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   27    2                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0P6ZB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.536  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.536  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.821  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.107  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.107  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.821   0.206   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.250  -1.444   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.392   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.322  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.037   0.206   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.392  -1.444   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       1.751  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.466   0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.466   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.751   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.037   1.031   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.250   1.286   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       0.322   1.444   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   11                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   12   16                                            
CONECT   11    4                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   10   18                                            
CONECT   17   14                                                      
CONECT   18   16                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D0P7DA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.669   0.363   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.669  -0.462   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.454  -0.717   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.938  -0.049   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.454   0.618   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.046  -0.049   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -0.629   0.534   0.000  1.00  0.00           F  
HETATM    8  N   UNL     1       1.041  -1.431   0.000  1.00  0.00           N  
HETATM    9  H   UNL     1       0.256   1.078   0.000  1.00  0.00           H  
HETATM   10  H   UNL     1       0.086  -1.045   0.000  1.00  0.00           H  
HETATM   11  C   UNL     1      -0.760  -0.462   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       2.763  -0.049   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       3.176   0.665   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.001   0.665   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.413  -0.049   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       5.238  -0.049   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       5.651   0.665   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       5.238   1.380   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.413   1.380   0.000  1.00  0.00           C  
HETATM   20 CL   UNL     1       6.476   0.665   0.000  1.00  0.00          Cl  
HETATM   21 CL   UNL     1       5.651   2.094   0.000  1.00  0.00          Cl  
HETATM   22  O   UNL     1      -0.760  -1.287   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.475  -0.049   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.189  -0.462   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.904  -0.049   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.618  -0.462   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.332  -0.049   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.047  -0.462   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.761  -0.049   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.476  -0.462   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.037  -1.300   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       2.831  -1.087   0.000  1.00  0.00           O  
HETATM   33  O   UNL     1       1.824  -2.094   0.000  1.00  0.00           O  
CONECT    1    2    5    6    9                                       
CONECT    2    1    3    6   10                                       
CONECT    3   31    2    4    8                                       
CONECT    4    3    5   12                                            
CONECT    5    4    1                                                 
CONECT    6    1    2    7   11                                       
CONECT    7    6                                                      
CONECT    8    3                                                      
CONECT    9    1                                                      
CONECT   10    2                                                      
CONECT   11    6   22   23                                            
CONECT   12    4   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19   21                                            
CONECT   19   18   14                                                 
CONECT   20   17                                                      
CONECT   21   18                                                      
CONECT   22   11                                                      
CONECT   23   11   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29                                                      
CONECT   31   32   33    3                                            
CONECT   32   31                                                      
CONECT   33   31                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0P7HQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.384   0.414   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.384  -0.411   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.669  -0.823   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.955  -0.411   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.955   0.414   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.669   0.827   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.240  -0.823   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.154  -1.644   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.347  -1.815   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.066  -1.101   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.487  -0.488   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.767  -2.196   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.552  -1.941   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.165  -2.493   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.993  -3.300   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.209  -3.555   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.596  -3.003   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.886  -1.015   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.371  -1.682   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       1.222  -0.261   0.000  1.00  0.00           N  
HETATM   21 CL   UNL     1      -4.098   0.827   0.000  1.00  0.00          Cl  
HETATM   22 CL   UNL     1      -0.811  -3.258   0.000  1.00  0.00          Cl  
HETATM   23  C   UNL     1      -0.201   0.319   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.529   1.116   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.009   1.757   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1      -0.459   2.449   0.000  1.00  0.00           N  
HETATM   27  N   UNL     1      -1.256   2.236   0.000  1.00  0.00           N  
HETATM   28  N   UNL     1      -1.299   1.412   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       2.042  -0.175   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.377   0.579   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.198   0.665   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.534   1.419   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.049   2.086   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.228   2.000   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.893   1.246   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.384   2.840   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1       2.669   3.253   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1       3.796   3.555   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1       4.098   2.428   0.000  1.00  0.00           F  
CONECT    1    2    6   21                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   18                                            
CONECT   11   10    7   23                                            
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   22                                            
CONECT   18   10   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   29                                                 
CONECT   21    1                                                      
CONECT   22   17                                                      
CONECT   23   11   24                                                 
CONECT   24   23   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   24                                                 
CONECT   29   20   30                                                 
CONECT   30   29   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   36                                            
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
CONECT   36   33   37   38   39                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   36                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0P7LP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNK A   0      -4.281   1.940   0.000  1.00  0.00           C  
HETATM    2  C   UNK A   0      -4.696   1.228   0.000  1.00  0.00           C  
HETATM    3  C   UNK A   0      -4.287   0.511   0.000  1.00  0.00           C  
HETATM    4  C   UNK A   0      -3.462   0.508   0.000  1.00  0.00           C  
HETATM    5  C   UNK A   0      -3.046   1.221   0.000  1.00  0.00           C  
HETATM    6  C   UNK A   0      -3.456   1.937   0.000  1.00  0.00           C  
HETATM    7  C   UNK A   0      -3.052  -0.208   0.000  1.00  0.00           C  
HETATM    8  N   UNK A   0      -2.227  -0.212   0.000  1.00  0.00           N  
HETATM    9  C   UNK A   0      -3.468  -0.921   0.000  1.00  0.00           C  
HETATM   10  C   UNK A   0      -4.293  -0.917   0.000  1.00  0.00           C  
HETATM   11  C   UNK A   0      -4.708  -1.630   0.000  1.00  0.00           C  
HETATM   12  C   UNK A   0      -4.299  -2.346   0.000  1.00  0.00           C  
HETATM   13  C   UNK A   0      -3.474  -2.350   0.000  1.00  0.00           C  
HETATM   14  C   UNK A   0      -3.058  -1.637   0.000  1.00  0.00           C  
HETATM   15 CL   UNK A   0      -4.690   2.656   0.000  1.00  0.00          Cl  
HETATM   16 CL   UNK A   0      -4.714  -3.059   0.000  1.00  0.00          Cl  
HETATM   17  C   UNK A   0      -1.647  -0.797   0.000  1.00  0.00           C  
HETATM   18  C   UNK A   0      -1.061  -0.212   0.000  1.00  0.00           C  
HETATM   19  C   UNK A   0      -1.647   0.374   0.000  1.00  0.00           C  
HETATM   20  N   UNK A   0      -0.236  -0.212   0.000  1.00  0.00           N  
HETATM   21  C   UNK A   0       0.177   0.503   0.000  1.00  0.00           C  
HETATM   22  S   UNK A   0      -0.052  -1.184   0.000  1.00  0.00           S  
HETATM   23  C   UNK A   0       1.002   0.503   0.000  1.00  0.00           C  
HETATM   24  C   UNK A   0       1.414   1.217   0.000  1.00  0.00           C  
HETATM   25  C   UNK A   0       1.002   1.932   0.000  1.00  0.00           C  
HETATM   26  C   UNK A   0       0.177   1.932   0.000  1.00  0.00           C  
HETATM   27  C   UNK A   0      -0.236   1.217   0.000  1.00  0.00           C  
HETATM   28  C   UNK A   0       2.239   1.217   0.000  1.00  0.00           C  
HETATM   29  C   UNK A   0       0.836  -0.862   0.000  1.00  0.00           C  
HETATM   30  O   UNK A   0      -0.715  -1.775   0.000  1.00  0.00           O  
HETATM   31  O   UNK A   0       0.527  -2.044   0.000  1.00  0.00           O  
HETATM   32  O   UNK A   0       2.652   1.932   0.000  1.00  0.00           O  
ATOM     33  N   ALA A   1       2.652   0.503   0.000  1.00  0.00           N  
ATOM     34  CA  ALA A   1       3.477   0.503   0.000  1.00  0.00           C  
ATOM     35  C   ALA A   1       3.889   1.217   0.000  1.00  0.00           C  
ATOM     36  CB  ALA A   1       3.889  -0.212   0.000  1.00  0.00           C  
ATOM     37  O   ALA A   1       4.714   1.217   0.000  1.00  0.00           O  
HETATM   38  C   UNK A   0      -0.238   2.647   0.000  1.00  0.00           C  
HETATM   39  F   UNK A   0       0.477   3.059   0.000  1.00  0.00           F  
HETATM   40  F   UNK A   0       0.175   1.932   0.000  1.00  0.00           F  
HETATM   41  F   UNK A   0      -0.952   2.234   0.000  1.00  0.00           F  
CONECT    1    2    6   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   17   19                                            
CONECT    9    7   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    1                                                      
CONECT   16   12                                                      
CONECT   17    8   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18    8                                                 
CONECT   20   18   21   22                                            
CONECT   21   20   23   27                                            
CONECT   22   20   29   30   31                                       
CONECT   23   21   24                                                 
CONECT   24   23   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   38                                            
CONECT   27   26   21                                                 
CONECT   28   24   32   33                                            
CONECT   29   22                                                      
CONECT   30   22                                                      
CONECT   31   22                                                      
CONECT   32   28                                                      
CONECT   33   28   34                                                 
CONECT   34   33   35   36                                            
CONECT   35   34   37                                                 
CONECT   36   34                                                      
CONECT   37   35                                                      
CONECT   38   26   39   40   41                                       
CONECT   39   38                                                      
CONECT   40   38                                                      
CONECT   41   38                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D0P7QA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.384   0.414   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.384  -0.411   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.669  -0.823   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.955  -0.411   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.955   0.414   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.669   0.827   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.240  -0.823   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.154  -1.644   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.347  -1.815   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.066  -1.101   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.487  -0.488   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.767  -2.196   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.552  -1.941   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.165  -2.493   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.993  -3.300   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.209  -3.555   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.596  -3.003   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.886  -1.015   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.371  -1.682   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       1.222  -0.261   0.000  1.00  0.00           N  
HETATM   21 CL   UNL     1      -4.098   0.827   0.000  1.00  0.00          Cl  
HETATM   22 CL   UNL     1      -0.811  -3.258   0.000  1.00  0.00          Cl  
HETATM   23  C   UNL     1      -0.201   0.319   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.042  -0.175   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.377   0.579   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.198   0.665   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.534   1.419   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.049   2.086   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.228   2.000   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.893   1.246   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.625  -0.758   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.384   2.840   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1       2.669   3.253   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       3.796   3.555   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1       4.098   2.428   0.000  1.00  0.00           F  
HETATM   36  C   UNL     1      -0.754   0.921   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1      -1.579   0.921   0.000  1.00  0.00           O  
HETATM   38  O   UNL     1      -0.340   1.638   0.000  1.00  0.00           O  
CONECT    1    2    6   21                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   18                                            
CONECT   11   10    7   23                                            
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   22                                            
CONECT   18   10   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   24                                                 
CONECT   21    1                                                      
CONECT   22   17                                                      
CONECT   23   11   36                                                 
CONECT   24   20   25   31                                            
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   32                                            
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   24                                                      
CONECT   32   28   33   34   35                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
CONECT   36   23   37   38                                            
CONECT   37   36                                                      
CONECT   38   36                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0P7QO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.584   1.511   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.584   0.686   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.869   0.273   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.155   0.686   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.155   1.511   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.869   1.923   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.440   1.923   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.726   1.511   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.726   0.686   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.011   0.273   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.297   0.686   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.297   1.511   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.011   1.923   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.488   0.431   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.973   1.098   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1       0.488   1.766   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.743  -0.354   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.191  -0.967   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.446  -1.752   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.253  -1.923   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.805  -1.310   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.550  -0.525   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1       2.612  -1.482   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       3.164  -0.869   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.971  -1.040   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.298   0.273   0.000  1.00  0.00           N  
HETATM   27  S   UNL     1       4.306  -1.794   0.000  1.00  0.00           S  
HETATM   28  C   UNL     1       5.127  -1.707   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.298  -0.900   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.584  -0.488   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   26                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13   16                                            
CONECT   13   12    8                                                 
CONECT   14   11   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   12                                                 
CONECT   17   14   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   17                                                 
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   27   30                                            
CONECT   26    2                                                      
CONECT   27   25   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0P7UB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.858  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.858   0.619   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.429  -1.031   0.000  1.00  0.00           N  
HETATM    8  S   UNL     1      -0.715  -0.619   0.000  1.00  0.00           S  
HETATM    9  C   UNL     1      -0.715   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.429   0.619   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.429   1.444   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       0.082  -0.405   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.501  -1.416   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.429  -1.856   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.000   0.619   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.715   0.206   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       0.000   1.444   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.429   0.619   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.143   0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.858   0.619   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.858   1.444   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.143   1.856   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.429   1.444   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.143  -0.619   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.858  -1.031   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.572  -0.619   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.572   0.206   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   14                                            
CONECT    8    7    9   12   13                                       
CONECT    9    8   10   15                                            
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    8                                                      
CONECT   13    8                                                      
CONECT   14    7                                                      
CONECT   15    9   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   19   23                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21   27                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   19   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   20                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0P7ZY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930  -1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930  -2.062   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215  -2.475   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501  -2.062   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501  -1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215  -0.825   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -1.786  -0.825   0.000  1.00  0.00           S  
HETATM    8  O   UNL     1      -1.072  -1.238   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.357  -0.825   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.369  -0.242   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1      -1.203  -0.242   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.357  -1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.072  -0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.072   0.000   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.357   0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.357   0.000   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.786   0.412   0.000  1.00  0.00           C  
HETATM   18  CA  UNL     1       1.786   1.238   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.501   1.650   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       3.215   1.238   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.930   1.650   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       4.644   1.238   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.072   1.650   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       0.357   1.238   0.000  1.00  0.00           O  
HETATM   25  OXT UNL     1       1.072   2.475   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1       3.215   0.412   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1       3.930   2.475   0.000  1.00  0.00           O  
HETATM   28  F   UNL     1      -4.644  -2.475   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   28                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   10   11                                       
CONECT    8    7    9                                                 
CONECT    9    8   12   16                                            
CONECT   10    7                                                      
CONECT   11    7                                                      
CONECT   12    9   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15    9                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   26                                            
CONECT   21   20   22   27                                            
CONECT   22   21                                                      
CONECT   23   18   24   25                                            
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   20                                                      
CONECT   27   21                                                      
CONECT   28    2                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0P8AX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.265   0.084   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.440   0.080   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.027   0.794   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.798   0.794   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.053   1.579   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.385   2.064   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.282   1.579   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.210   0.080   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.035   0.080   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.448  -0.635   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.448   0.794   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.749   0.752   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.534   0.498   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.534  -0.327   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1      -1.749  -0.583   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1      -3.248   0.910   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.963   0.498   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.963  -0.327   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.248  -0.740   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.035  -1.349   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.448  -2.064   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.273  -2.064   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.685  -1.349   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.273  -0.635   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       3.685   0.080   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1       4.506   0.166   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       4.677   0.973   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.963   1.385   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       3.350   0.833   0.000  1.00  0.00           N  
HETATM   30  F   UNL     1      -4.677   0.910   0.000  1.00  0.00           F  
CONECT    1    2   12   15                                            
CONECT    2    1    3                                                 
CONECT    3    4    7    2                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    3                                                 
CONECT    8    9    4                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   20   24                                            
CONECT   11    9                                                      
CONECT   12    1   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   19                                            
CONECT   15   14    1                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18   30                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   10   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   10   25                                            
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   25                                                 
CONECT   30   17                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0P8CM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.305  -1.929   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.305  -2.753   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.591  -3.166   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.877  -2.753   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.877  -1.929   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.591  -1.516   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.591  -0.691   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.162  -3.166   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1      -4.020  -3.166   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.877  -0.279   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.877   0.546   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.162   0.959   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.162   1.784   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.877   2.196   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.591   1.784   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.591   0.959   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.377   0.704   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.107   1.371   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.377   2.039   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.377   2.864   0.000  1.00  0.00           C  
HETATM   21  H   UNL     1      -1.162   0.134   0.000  1.00  0.00           H  
HETATM   22  C   UNL     1      -1.092   3.276   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.337   3.276   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.052   2.864   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.766   3.276   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       2.481   2.864   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       3.195   3.276   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.076   2.604   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.591  -3.991   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.020   3.276   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.607   3.991   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    9                                            
CONECT    3    2    4   29                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6   10                                                 
CONECT    8    4                                                      
CONECT    9    2                                                      
CONECT   10    7   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13   17   21                                       
CONECT   13   12   14   19   28                                       
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   12   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   13   20                                            
CONECT   20   19   22   23                                            
CONECT   21   12                                                      
CONECT   22   20                                                      
CONECT   23   20   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   30   31                                            
CONECT   28   13                                                      
CONECT   29    3                                                      
CONECT   30   27   31                                                 
CONECT   31   30   27                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0P8IR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNK A   1      -4.184   1.928   0.000  1.00  0.00           C  
HETATM    2  C   UNK A   6      -3.601   1.344   0.000  1.00  0.00           C  
HETATM    3  C   UNK A   1      -2.804   1.558   0.000  1.00  0.00           C  
HETATM    4  C   UNK A   1      -2.590   2.355   0.000  1.00  0.00           C  
HETATM    5  C   UNK A   1      -3.174   2.938   0.000  1.00  0.00           C  
HETATM    6  C   UNK A   1      -3.970   2.725   0.000  1.00  0.00           C  
HETATM    7  O   UNK A   1      -4.981   1.714   0.000  1.00  0.00           O  
HETATM    8  C   UNK A   1      -1.793   2.568   0.000  1.00  0.00           C  
HETATM    9  C   UNK A   1      -1.079   2.156   0.000  1.00  0.00           C  
HETATM   10  N   UNK A   1      -0.666   1.441   0.000  1.00  0.00           N  
HETATM   11  C   UNK A   6      -1.079   0.727   0.000  1.00  0.00           C  
HETATM   12  O   UNK A   6      -1.876   0.940   0.000  1.00  0.00           O  
HETATM   13  C   ACE A   0       0.159   1.441   0.000  1.00  0.00           C  
HETATM   14  C   UNK A   1      -0.495   2.739   0.000  1.00  0.00           C  
ATOM     15  N   ALA A   2       0.301   2.526   0.000  1.00  0.00           N  
HETATM   16  O   UNK A   1      -0.709   3.536   0.000  1.00  0.00           O  
ATOM     17  CA  ALA A   2       0.885   3.109   0.000  1.00  0.00           C  
ATOM     18  C   ALA A   2       1.682   2.896   0.000  1.00  0.00           C  
ATOM     19  O   ALA A   2       2.265   3.479   0.000  1.00  0.00           O  
ATOM     20  CB  ALA A   2       0.671   3.906   0.000  1.00  0.00           C  
ATOM     21  N   ALA A   3       1.895   2.099   0.000  1.00  0.00           N  
ATOM     22  CA  ALA A   3       2.692   1.885   0.000  1.00  0.00           C  
ATOM     23  C   ALA A   3       2.906   1.088   0.000  1.00  0.00           C  
ATOM     24  CB  ALA A   3       3.275   2.468   0.000  1.00  0.00           C  
HETATM   25  N   UNK A   4       2.322   0.505   0.000  1.00  0.00           N  
ATOM     26  O   ALA A   3       3.702   0.875   0.000  1.00  0.00           O  
HETATM   27  C   UNK A   4       1.525   0.718   0.000  1.00  0.00           C  
HETATM   28  C   UNK A   4       2.536  -0.292   0.000  1.00  0.00           C  
HETATM   29  C   UNK A   4       1.952  -0.875   0.000  1.00  0.00           C  
HETATM   30  O   UNK A   4       2.166  -1.672   0.000  1.00  0.00           O  
ATOM     31  N   ALA A   5       1.156  -0.662   0.000  1.00  0.00           N  
HETATM   32  C   UNK A   4       3.333  -0.506   0.000  1.00  0.00           C  
HETATM   33  C   UNK A   4       3.546  -1.302   0.000  1.00  0.00           C  
HETATM   34  C   UNK A   4       2.963  -1.886   0.000  1.00  0.00           C  
HETATM   35  C   UNK A   4       3.176  -2.683   0.000  1.00  0.00           C  
HETATM   36  C   UNK A   4       3.973  -2.896   0.000  1.00  0.00           C  
HETATM   37  C   UNK A   4       4.557  -2.313   0.000  1.00  0.00           C  
HETATM   38  C   UNK A   4       4.343  -1.516   0.000  1.00  0.00           C  
ATOM     39  CA  ALA A   5       0.572  -1.245   0.000  1.00  0.00           C  
ATOM     40  C   ALA A   5      -0.225  -1.032   0.000  1.00  0.00           C  
HETATM   41  N   UNK A   6      -0.438  -0.235   0.000  1.00  0.00           N  
HETATM   42  C   UNK A   6       0.175   0.317   0.000  1.00  0.00           C  
ATOM     43  O   ALA A   5      -0.808  -1.615   0.000  1.00  0.00           O  
ATOM     44  CB  ALA A   5       0.786  -2.042   0.000  1.00  0.00           C  
HETATM   45  C   UNK A   6      -1.235  -0.021   0.000  1.00  0.00           C  
HETATM   46  O   UNK A   6      -4.184   0.761   0.000  1.00  0.00           O  
HETATM   47  C   UNK A   6      -3.771   0.047   0.000  1.00  0.00           C  
HETATM   48  C   UNK A   6      -4.184  -0.668   0.000  1.00  0.00           C  
HETATM   49  C   UNK A   6      -3.771  -1.382   0.000  1.00  0.00           C  
HETATM   50  C   UNK A   6      -2.946  -1.382   0.000  1.00  0.00           C  
HETATM   51  C   UNK A   6      -2.534  -0.668   0.000  1.00  0.00           C  
HETATM   52  C   UNK A   6      -2.946   0.047   0.000  1.00  0.00           C  
HETATM   53  C   UNK A   6      -1.709  -0.668   0.000  1.00  0.00           C  
HETATM   54  O   UNK A   4       4.187  -3.693   0.000  1.00  0.00           O  
HETATM   55  C   UNK A   4       4.981  -3.906   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   46                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    4    9                                                 
CONECT    9   10    8   14                                            
CONECT   10    9   11   13                                            
CONECT   11   10   12   45                                            
CONECT   12   11                                                      
CONECT   13   10                                                      
CONECT   14    9   15   16                                            
CONECT   15   14   17                                                 
CONECT   16   14                                                      
CONECT   17   15   18   20                                            
CONECT   18   17   19   21                                            
CONECT   19   18                                                      
CONECT   20   17                                                      
CONECT   21   18   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   25   26                                            
CONECT   24   22                                                      
CONECT   25   23   27   28                                            
CONECT   26   23                                                      
CONECT   27   25                                                      
CONECT   28   25   29   32                                            
CONECT   29   28   30   31                                            
CONECT   30   29                                                      
CONECT   31   29   39                                                 
CONECT   32   28   33                                                 
CONECT   33   32   34   38                                            
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   54   35   37                                            
CONECT   37   36   38                                                 
CONECT   38   37   33                                                 
CONECT   39   31   40   44                                            
CONECT   40   39   41   43                                            
CONECT   41   40   42   45                                            
CONECT   42   41                                                      
CONECT   43   40                                                      
CONECT   44   39                                                      
CONECT   45   41   11   53                                            
CONECT   46    2   47                                                 
CONECT   47   46   48   52                                            
CONECT   48   47   49                                                 
CONECT   49   48   50                                                 
CONECT   50   49   51                                                 
CONECT   51   50   52   53                                            
CONECT   52   51   47                                                 
CONECT   53   51   45                                                 
CONECT   54   55   36                                                 
CONECT   55   54                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
M  END

$$$$
D0P8PE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.677   1.107   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.677   0.282   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.037  -0.130   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.752   0.282   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.752   1.107   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.037   1.520   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.462   1.362   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.947   0.695   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.462   0.027   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.466   1.520   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.220   1.184   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.772   1.797   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1       2.359   2.512   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.552   2.340   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.391   0.377   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.939   2.892   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.037  -0.955   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.772   0.695   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.630  -1.440   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.375  -2.225   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1       0.450  -2.225   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       0.705  -1.440   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.489  -1.185   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.717  -0.757   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.860  -2.892   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   17                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9   18                                            
CONECT    9    8    2   24                                            
CONECT   10    5   11   14                                            
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10   16                                            
CONECT   15   11                                                      
CONECT   16   14                                                      
CONECT   17    3   19   22                                            
CONECT   18    8                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   17   23                                            
CONECT   23   22                                                      
CONECT   24    9                                                      
CONECT   25   20                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0P8RK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.510   1.750   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.510   0.925   0.000  1.00  0.00           C  
HETATM    3  S   UNL     1      -1.725   0.670   0.000  1.00  0.00           S  
HETATM    4  C   UNL     1      -1.240   1.338   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.725   2.005   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.415   1.338   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.070   0.670   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.854   0.925   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.854   1.750   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.070   2.005   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.569   0.513   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.283   0.925   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.283   1.750   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.569   2.163   0.000  1.00  0.00           N  
HETATM   15 CL   UNL     1       1.569  -0.312   0.000  1.00  0.00          Cl  
HETATM   16  C   UNL     1      -0.185  -0.114   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.367  -0.727   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.367  -1.552   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.081  -1.965   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.796  -1.552   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       1.081  -2.790   0.000  1.00  0.00           O  
HETATM   22  F   UNL     1       2.510  -1.965   0.000  1.00  0.00           F  
HETATM   23  F   UNL     1       2.510  -1.140   0.000  1.00  0.00           F  
HETATM   24  F   UNL     1       2.009  -0.755   0.000  1.00  0.00           F  
HETATM   25 CL   UNL     1      -1.470   2.790   0.000  1.00  0.00          Cl  
HETATM   26 CL   UNL     1      -0.185   2.790   0.000  1.00  0.00          Cl  
CONECT    1    2    5                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    1   25                                            
CONECT    6    4    7   10                                            
CONECT    7    6    8   16                                            
CONECT    8    7    9   11                                            
CONECT    9    8   10   14                                            
CONECT   10    9    6   26                                            
CONECT   11    8   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   11                                                      
CONECT   16    7   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   22   23   24                                       
CONECT   21   19                                                      
CONECT   22   20                                                      
CONECT   23   20                                                      
CONECT   24   20                                                      
CONECT   25    5                                                      
CONECT   26   10                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0P8SR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.433   1.546   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.433   0.721   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.719   0.308   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.004   0.721   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.004   1.546   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.719   1.958   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.220   0.466   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.735   1.133   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.220   1.801   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.965  -0.319   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.158  -0.490   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.822  -1.244   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.002  -1.158   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.170  -0.351   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1      -0.545   0.062   0.000  1.00  0.00           S  
HETATM   16 CL   UNL     1      -1.235  -1.958   0.000  1.00  0.00          Cl  
HETATM   17  N   UNL     1       0.923  -0.015   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.591  -0.500   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.345  -0.165   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       3.012  -0.649   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       3.766  -0.314   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.852   0.507   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.185   0.992   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.431   0.656   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.433  -0.799   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    7   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   11                                                 
CONECT   16   12                                                      
CONECT   17   14   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   21                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END

$$$$

$$$$

$$$$
D0P8VL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.740   0.455   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.740  -0.370   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.025  -0.782   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.311  -0.370   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.311   0.455   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.025   0.868   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.596  -0.782   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.882  -0.370   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.167  -0.782   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.453  -0.370   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.738  -0.782   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.024  -0.370   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.691  -0.782   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.405  -0.370   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.119  -0.782   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.834  -0.370   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.549  -0.782   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       4.263  -0.370   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.977  -0.782   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.167  -1.607   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.738  -1.607   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.024   0.455   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       2.119  -1.607   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       3.549  -1.607   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.181  -0.996   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.405   0.455   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.119   0.868   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.873   0.532   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       3.425   1.145   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       3.013   1.860   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.206   1.688   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.268   2.644   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.716   3.257   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.909   3.086   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.654   2.301   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.263  -2.020   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1       4.263   0.455   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1       5.632  -1.285   0.000  1.00  0.00           C  
HETATM   39  O   UNL     1       5.740  -0.467   0.000  1.00  0.00           O  
HETATM   40  C   UNL     1       4.263  -2.845   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       4.977  -3.257   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       5.692  -2.845   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       5.692  -2.020   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       4.977  -1.607   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   20                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   21                                            
CONECT   12   11   13   22                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   26                                            
CONECT   15   14   16   23                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   24                                            
CONECT   18   17   19   37                                            
CONECT   19   18   25   38   39                                       
CONECT   20    9                                                      
CONECT   21   11                                                      
CONECT   22   12                                                      
CONECT   23   15                                                      
CONECT   24   17   36                                                 
CONECT   25   19                                                      
CONECT   26   14   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30   27   35                                            
CONECT   32   30   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   31                                                 
CONECT   36   24   40   44                                            
CONECT   37   18                                                      
CONECT   38   19   39                                                 
CONECT   39   38   19                                                 
CONECT   40   36   41                                                 
CONECT   41   40   42                                                 
CONECT   42   41   43                                                 
CONECT   43   42   44                                                 
CONECT   44   43   36                                                 
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
M  END

$$$$
D0P8YL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.996   1.032   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.996   0.210   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.284  -0.201   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.572   0.210   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.572   1.032   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.284   1.443   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.860  -0.201   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.148   0.210   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.148   1.032   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.860   1.443   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -4.284   2.265   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.434  -0.203   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.434  -1.028   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.719  -1.440   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.005  -1.028   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.005  -0.203   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.719   0.210   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.710  -1.440   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.424  -1.028   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.139  -1.440   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.853  -1.028   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.567  -1.440   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       4.282  -1.028   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       4.282  -0.203   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.996  -1.440   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       0.710  -2.265   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    6                                                      
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   19   26                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   18                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0P9KJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.583   0.406   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.869  -0.007   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.154   0.406   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.440  -0.007   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.275   0.406   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.989  -0.007   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.275   1.231   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.440  -0.832   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.797   1.203   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.620   1.246   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.916   0.476   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1      -3.275  -0.043   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.275  -0.869   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.990  -1.281   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.990  -2.106   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.275  -2.518   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.561  -2.106   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.561  -1.281   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -1.846  -2.518   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1       0.989  -0.832   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.704  -1.244   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.418  -0.832   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.418  -0.007   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.704   0.406   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.133   0.406   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.073   1.938   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.787   1.526   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.485   2.653   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.358   2.351   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.644  -1.938   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       3.358  -2.351   0.000  1.00  0.00           N  
HETATM   32  S   UNL     1       4.073  -1.938   0.000  1.00  0.00           S  
HETATM   33  O   UNL     1       3.660  -1.224   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1       4.485  -2.653   0.000  1.00  0.00           O  
HETATM   35  N   UNL     1       4.787  -1.526   0.000  1.00  0.00           N  
CONECT    1    2    9   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5   20   24                                            
CONECT    7    5                                                      
CONECT    8    4                                                      
CONECT    9    1   10                                                 
CONECT   10    9   11   26                                            
CONECT   11   10   12                                                 
CONECT   12   11    1   13                                            
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   13                                                 
CONECT   19   17                                                      
CONECT   20    6   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   30                                            
CONECT   23   22   24   25                                            
CONECT   24   23    6                                                 
CONECT   25   23                                                      
CONECT   26   10   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30   22   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   34   35                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END

$$$$

$$$$

$$$$
D0P9PZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.610   0.330   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.896   0.742   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.181   0.330   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.467   0.742   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.752   0.330   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.038   0.742   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.323   0.330   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.391   0.742   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.105   0.330   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.181  -0.495   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.467   1.567   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.038   1.567   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.323  -0.495   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.719   0.882   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.383   1.636   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.563   1.549   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.192  -0.491   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.323   1.980   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.323   2.805   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.038   3.217   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.752   2.805   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.752   1.980   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.579  -1.043   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.914  -1.796   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.735  -1.710   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       1.906  -0.903   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       0.579  -2.550   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.064  -3.217   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       1.884  -3.131   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       2.220  -2.377   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.017  -2.164   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.600  -2.747   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.397  -2.534   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.610  -1.737   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.027  -1.154   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.230  -1.367   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4   10                                            
CONECT    4    3    5   11                                            
CONECT    5    4    6                                                 
CONECT    6    5    7   12                                            
CONECT    7    6    8   13                                            
CONECT    8    7    9   16                                            
CONECT    9    8   14   17                                            
CONECT   10    3                                                      
CONECT   11    4                                                      
CONECT   12    6   18   22                                            
CONECT   13    7                                                      
CONECT   14    9   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15    8                                                 
CONECT   17    9   23   26                                            
CONECT   18   12   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   12                                                 
CONECT   23   17   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26   30                                            
CONECT   26   25   17                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25   31                                            
CONECT   31   30   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0P9UF
  -OEChem-09301911142D

 48 51  0     1  0  0  0  0  0999 V2000
    5.4836    0.3924    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8080    1.1444    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701   -2.3007    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4323   -2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0303    0.1900    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    8.2983    2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2983   -0.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0303   -2.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6527   -1.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643    1.6900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0303    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8964    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8964    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0303   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8964   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8964   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4323   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5662   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9836   -0.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4617    0.1845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890   -0.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    0.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    0.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -1.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4289    2.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6318    2.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5537    0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9523    0.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5069    1.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1084    2.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1084    0.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5069    0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2983    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7614    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4333   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6274   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2983   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4333   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9225    0.5994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    0.6280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356   -2.1626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -0.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 20  2  0  0  0  0
  5 12  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
 10  6  1  1  0  0  0
  6 39  1  0  0  0  0
  6 40  1  0  0  0  0
  7 16  1  0  0  0  0
  7 20  1  0  0  0  0
  7 43  1  0  0  0  0
  8 18  2  0  0  0  0
  8 19  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 30  1  0  0  0  0
 11 13  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 45  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 27 46  1  0  0  0  0
 28 29  1  0  0  0  0
 28 47  1  0  0  0  0
 29 48  1  0  0  0  0
M  END

$$$$
D0P9VX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -1.254   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -2.079   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.786  -2.491   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.072  -2.079   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072  -1.254   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786  -0.841   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.357  -0.841   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.357  -0.016   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.072   0.397   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.786  -0.016   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.072   1.222   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.357  -1.254   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.357  -2.079   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.072  -2.491   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.786  -2.079   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.786  -1.254   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.072  -0.841   0.000  1.00  0.00           C  
HETATM   18  F   UNL     1       2.501  -2.491   0.000  1.00  0.00           F  
HETATM   19  C   UNL     1      -0.404   1.706   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.659   2.491   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.484   2.491   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.739   1.706   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   10                                            
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    6                                                 
CONECT   11    9   19   22                                            
CONECT   12    7   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15                                                      
CONECT   19   11   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   11                                                 
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0P9WR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   2.062   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.357   0.412   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.357   0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.357   1.650   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.357   2.062   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.786  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.501  -0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.501  -1.650   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.786  -2.062   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.072  -1.650   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.072  -0.825   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.786   2.888   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1      -3.215   0.412   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1      -3.215  -0.412   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.786  -2.888   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.357   2.888   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       1.072   0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.072  -0.412   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.786  -0.825   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.786  -1.650   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.501  -2.062   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.215  -1.650   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.215  -0.825   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.501  -0.412   0.000  1.00  0.00           C  
HETATM   30 CL   UNL     1       2.501   0.412   0.000  1.00  0.00          Cl  
HETATM   31 CL   UNL     1       1.072  -2.062   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4   11                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   17                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   22                                            
CONECT    9    8   10                                                 
CONECT   10    9    5   21                                            
CONECT   11    3   12   16                                            
CONECT   12   11   13   19                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   20                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    6                                                      
CONECT   18    2                                                      
CONECT   19   12                                                      
CONECT   20   14                                                      
CONECT   21   10                                                      
CONECT   22    8   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26   31                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24   30                                            
CONECT   30   29                                                      
CONECT   31   25                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0P9ZD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429   0.412   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.429  -0.412   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.715  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.000   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.715   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.715   0.825   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.429   0.412   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7                                                      
MASTER        0    0    0    0    0    0    0    0    8    0    8    0
END
M  END

$$$$
D0PB2J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.308  -0.826   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.308  -1.651   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.593  -2.064   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.879  -1.651   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.879  -0.826   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.593  -0.414   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.164  -2.064   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.450  -1.651   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.450  -0.826   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.164  -0.414   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.265  -0.414   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.265   0.411   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.450   0.824   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.164   0.411   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.049  -0.669   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.534  -0.001   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.049   0.666   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.022  -2.064   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.879  -0.001   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.265   1.236   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.304   1.451   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.111   1.622   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       0.752   2.064   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       2.663   1.009   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       3.470   1.181   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.022   0.568   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       3.725   1.965   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       2.359  -0.001   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1       2.359  -0.823   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1       3.181  -0.001   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1       2.359   0.821   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10   19                                       
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12   15                                            
CONECT   12   11   13   17   20                                       
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   28   15   17                                            
CONECT   17   16   12   21                                            
CONECT   18    2                                                      
CONECT   19    5                                                      
CONECT   20   12                                                      
CONECT   21   17   22   23                                            
CONECT   22   21   24                                                 
CONECT   23   21                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   29   30   31   16                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END

$$$$

$$$$

$$$$
D0PB5X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.538  -0.062   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.538  -0.887   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.824  -1.300   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.109  -0.887   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.109  -0.062   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.824   0.350   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.325  -1.142   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -0.840  -0.475   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.325   0.193   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.070  -1.927   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.070   0.977   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.263   1.149   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.289   0.536   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.096   0.707   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.351   1.492   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.799   2.105   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.008   1.933   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.824   1.175   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.482  -2.641   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.930  -3.254   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.177  -2.919   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.263  -2.098   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.350  -1.546   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.963  -0.994   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.158   1.663   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       1.945   0.867   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.528   0.283   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.325   0.497   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.538   1.294   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.955   1.877   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.372   2.460   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1       3.166   2.247   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       2.584   3.254   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       1.577   2.673   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   18                                            
CONECT    7    4    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   11                                            
CONECT   10    7   19   22                                            
CONECT   11    9   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   25                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    6                                                      
CONECT   19   10   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   10   23                                            
CONECT   23   22   24                                                 
CONECT   24   23                                                      
CONECT   25   31   15   26   30                                       
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   32   33   34   25                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0PB6T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.729   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.729  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.015  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.300  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.300   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.015   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.414  -0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.129  -0.412   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.129   0.412   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.414   0.825   0.000  1.00  0.00           C  
HETATM   11 CL   UNL     1      -1.015   1.650   0.000  1.00  0.00          Cl  
HETATM   12  O   UNL     1       0.414   1.650   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       1.843   0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.558   0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.558  -0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.272  -0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.986  -0.412   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       3.986   0.412   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       3.272   0.825   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       3.272   1.650   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       4.701  -0.825   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       1.843  -0.825   0.000  1.00  0.00           O  
HETATM   23 CL   UNL     1      -1.015  -1.650   0.000  1.00  0.00          Cl  
HETATM   24  C   UNL     1      -2.444   0.825   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.444   1.650   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.158   0.412   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.955   0.626   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.372  -0.384   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.843  -1.650   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -4.118  -0.173   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -4.701  -0.756   0.000  1.00  0.00           C  
CONECT    1    2    6   24                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   23                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9    5   12                                            
CONECT   11    6                                                      
CONECT   12   10                                                      
CONECT   13    9   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16   22                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   14   20                                            
CONECT   20   19                                                      
CONECT   21   17                                                      
CONECT   22   15   29                                                 
CONECT   23    3                                                      
CONECT   24    1   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27   28                                            
CONECT   27   26   30                                                 
CONECT   28   26   30                                                 
CONECT   29   22                                                      
CONECT   30   27   28   31                                            
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0PD2I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.192   1.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.192   1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.907   0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.621   1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.621   1.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.907   2.269   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.907  -0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.192  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.192  -1.444   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.907  -1.856   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.621  -1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.621  -0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.192  -2.269   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.478  -1.856   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       1.192  -3.094   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       2.621  -2.269   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.336  -1.856   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.478   0.619   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.236   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.951   0.619   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.236   1.856   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.705   0.954   0.000  1.00  0.00           C  
HETATM   23  S   UNL     1      -2.257   0.341   0.000  1.00  0.00           S  
HETATM   24  C   UNL     1      -1.844  -0.373   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.037  -0.202   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.180  -1.127   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       1.907   3.094   0.000  1.00  0.00           N  
HETATM   28  F   UNL     1       3.336   0.619   0.000  1.00  0.00           F  
HETATM   29  C   UNL     1      -3.000  -1.213   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.336  -1.967   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.851  -2.634   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1      -2.030  -2.548   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1      -1.695  -1.794   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5   28                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   27                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13   16                                       
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   10   17                                                 
CONECT   17   16                                                      
CONECT   18    2   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   22   25                                            
CONECT   21   19                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   20                                                 
CONECT   26   24   29   33                                            
CONECT   27    6                                                      
CONECT   28    4                                                      
CONECT   29   26   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   26                                                 
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END

$$$$

$$$$

$$$$
D0PE1K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.662   1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.662   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.947   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.233   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.233   1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.947   1.650   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.518   0.000   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.804   0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.804   1.238   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.518   1.650   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.518  -0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.233  -1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.233  -2.062   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.518  -2.475   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.804  -2.062   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.804  -1.238   0.000  1.00  0.00           C  
HETATM   17  H   UNL     1      -0.090  -0.825   0.000  1.00  0.00           H  
HETATM   18  C   UNL     1      -0.090   1.650   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.625   1.238   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1      -0.090   2.475   0.000  1.00  0.00           O  
HETATM   21  H   UNL     1       0.625   0.412   0.000  1.00  0.00           H  
HETATM   22  C   UNL     1       1.187   1.087   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.662   1.087   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.249   1.801   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.425   1.801   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.012   1.087   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.425   0.372   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.249   0.372   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       0.774   0.372   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -0.449   0.206   0.000  1.00  0.00           C  
HETATM   31 CL   UNL     1       0.266  -0.206   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   30                                            
CONECT    9    8   10   18                                            
CONECT   10    9    5                                                 
CONECT   11    7   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11   17                                            
CONECT   17   16                                                      
CONECT   18    9   19   20                                            
CONECT   19   18   21   22                                            
CONECT   20   18                                                      
CONECT   21   19                                                      
CONECT   22   19   26   29                                            
CONECT   23   28   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   22                                            
CONECT   27   26   28                                                 
CONECT   28   23   27                                                 
CONECT   29   22                                                      
CONECT   30    8   31                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0PE1R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.487   1.355   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.011   0.681   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.504   0.020   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.285   0.284   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.275   1.109   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       2.073   0.039   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       2.550   0.713   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.057   1.374   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.302   2.162   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.337  -0.742   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.258  -0.768   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.546  -0.949   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.792  -1.737   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.232  -2.343   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.573  -2.162   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.818  -1.374   0.000  1.00  0.00           C  
HETATM   17 CL   UNL     1      -0.478  -3.131   0.000  1.00  0.00          Cl  
HETATM   18  O   UNL     1       0.223   2.136   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.814   0.671   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.240   1.378   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.065   1.378   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.464   0.671   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.038  -0.035   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.214  -0.035   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.614   1.976   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1      -3.352   1.639   0.000  1.00  0.00           N  
HETATM   27  N   UNL     1      -3.260   0.833   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -2.450   2.785   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.444  -0.754   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       3.107   2.343   0.000  1.00  0.00           N  
HETATM   31  O   UNL     1       1.742   2.768   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       3.352   3.131   0.000  1.00  0.00           C  
CONECT    1    2    5   18                                            
CONECT    2    1    3   19                                            
CONECT    3    2    4   11                                            
CONECT    4    3    5    6                                            
CONECT    5    4    1    8                                            
CONECT    6    4    7   10                                            
CONECT    7    6    8                                                 
CONECT    8    7    5    9                                            
CONECT    9    8   30   31                                            
CONECT   10    6                                                      
CONECT   11    3   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   14                                                      
CONECT   18    1                                                      
CONECT   19    2   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23   27                                            
CONECT   23   24   22   29                                            
CONECT   24   23   19                                                 
CONECT   25   21   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   25                                                      
CONECT   29   23                                                      
CONECT   30    9   32                                                 
CONECT   31    9                                                      
CONECT   32   30                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0PF2F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.509   3.142   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.509   2.317   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.223   1.904   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.938   2.317   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.938   3.142   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.223   3.554   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.206   3.554   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.920   3.142   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.920   2.317   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.206   1.904   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.635   3.554   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.349   3.142   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.064   3.554   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.778   3.142   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.778   2.317   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.064   1.904   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.349   2.317   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.223   1.079   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.938   0.667   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       0.509   0.667   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       1.938  -0.158   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.223  -0.571   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.223  -1.396   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.938  -1.808   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.652  -1.396   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.652  -0.571   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.509  -1.808   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.245  -1.473   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -0.797  -2.086   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -0.385  -2.800   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       0.422  -2.629   0.000  1.00  0.00           N  
HETATM   32  N   UNL     1      -3.064   1.079   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1      -2.349   0.667   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.349  -0.158   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1      -1.635   1.079   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1      -2.762  -0.873   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.937  -0.873   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.720  -3.554   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       3.366  -1.808   0.000  1.00  0.00           C  
HETATM   40  F   UNL     1       2.953  -2.523   0.000  1.00  0.00           F  
HETATM   41  F   UNL     1       2.651  -1.396   0.000  1.00  0.00           F  
HETATM   42  F   UNL     1       3.778  -1.094   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4   18                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    2                                                 
CONECT   11    8   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   32                                            
CONECT   17   16   12                                                 
CONECT   18    3   19   20                                            
CONECT   19   18   21                                                 
CONECT   20   18                                                      
CONECT   21   19   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   39                                            
CONECT   26   25   21                                                 
CONECT   27   23   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   38                                            
CONECT   31   30   27                                                 
CONECT   32   16   33                                                 
CONECT   33   32   34   35                                            
CONECT   34   33   36   37                                            
CONECT   35   33                                                      
CONECT   36   34   37                                                 
CONECT   37   36   34                                                 
CONECT   38   30                                                      
CONECT   39   25   40   41   42                                       
CONECT   40   39                                                      
CONECT   41   39                                                      
CONECT   42   39                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D0PF2W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.858  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143  -1.031   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.143  -0.206   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.858   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429   0.206   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.715  -0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.000   0.206   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.000   1.031   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.715   1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.429   1.031   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.715   2.269   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1       0.715  -0.206   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.715  -1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.000  -1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.715  -1.856   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.429  -2.269   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.287   0.206   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       0.715   1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.429   1.031   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.429   0.206   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.143  -0.206   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.858   0.206   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.858   1.031   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       2.143   1.444   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       3.572  -0.206   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.287   0.206   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.287   1.031   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.572   1.444   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.357  -1.003   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.359  -1.003   0.000  1.00  0.00           C  
CONECT    1    2    6   19                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9   15                                            
CONECT    9    8   10   14                                            
CONECT   10    9   11   20                                            
CONECT   11   10   12   13                                            
CONECT   12   11    7                                                 
CONECT   13   11                                                      
CONECT   14    9                                                      
CONECT   15    8   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17                                                      
CONECT   19    1                                                      
CONECT   20   10   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   31                                            
CONECT   24   23   25   27                                            
CONECT   25   24   26   30                                            
CONECT   26   25   21                                                 
CONECT   27   24   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   23   32                                                 
CONECT   32   27   31                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0PF4H
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143  -0.527   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -1.353   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -1.765   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715  -1.353   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715  -0.527   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429  -0.115   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.000  -1.765   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.715  -1.353   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.715  -0.527   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.000  -0.115   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.429   0.710   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       0.000   0.710   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.556   0.187   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.756  -1.905   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.421  -2.658   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.601  -2.572   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.048  -3.185   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       0.000  -2.590   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.429  -1.765   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.143  -1.353   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1       2.858  -1.765   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.858  -2.590   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.572  -3.002   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       4.287  -2.590   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       4.287  -1.765   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.572  -1.353   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       5.001  -3.002   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       1.429  -0.115   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       1.429   0.710   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       0.715   1.123   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       2.143   1.123   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.143   1.948   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.858   0.710   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.429   2.360   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       0.715   1.948   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       0.000   2.360   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.715   2.012   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       0.000   3.185   0.000  1.00  0.00           C  
HETATM   39  O   UNL     1      -0.715   1.359   0.000  1.00  0.00           O  
HETATM   40  C   UNL     1      -1.429   2.360   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.143   1.948   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.143   1.123   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.858   0.710   0.000  1.00  0.00           C  
HETATM   44  O   UNL     1      -3.572   1.123   0.000  1.00  0.00           O  
HETATM   45  C   UNL     1      -4.287   0.710   0.000  1.00  0.00           C  
HETATM   46  O   UNL     1      -5.001   1.123   0.000  1.00  0.00           O  
HETATM   47  C   UNL     1      -4.287  -0.115   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1      -2.858  -0.115   0.000  1.00  0.00           C  
HETATM   49  C   UNL     1      -3.572  -0.527   0.000  1.00  0.00           C  
HETATM   50  C   UNL     1      -3.572  -1.353   0.000  1.00  0.00           C  
HETATM   51  C   UNL     1      -3.985  -2.067   0.000  1.00  0.00           C  
HETATM   52  O   UNL     1      -3.572  -2.781   0.000  1.00  0.00           O  
HETATM   53  O   UNL     1      -4.369  -0.741   0.000  1.00  0.00           O  
HETATM   54  C   UNL     1      -2.644  -0.912   0.000  1.00  0.00           C  
HETATM   55  C   UNL     1      -1.347   1.336   0.000  1.00  0.00           C  
HETATM   56  O   UNL     1      -2.858   2.360   0.000  1.00  0.00           O  
HETATM   57  C   UNL     1      -1.458   3.184   0.000  1.00  0.00           C  
HETATM   58  C   UNL     1      -4.953  -1.324   0.000  1.00  0.00           C  
CONECT    1    2    6   13                                            
CONECT    2    1    3   14                                            
CONECT    3    2    4   16                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8   18                                            
CONECT    8    7    9   19                                            
CONECT    9    8   10   28                                            
CONECT   10    9    5   12                                            
CONECT   11    6                                                      
CONECT   12   10                                                      
CONECT   13    1                                                      
CONECT   14    2   15                                                 
CONECT   15   14   16   52                                            
CONECT   16   15    3   17                                            
CONECT   17   16                                                      
CONECT   18    7                                                      
CONECT   19    8   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   24                                                      
CONECT   28    9   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29                                                      
CONECT   31   29   32   33                                            
CONECT   32   31   34                                                 
CONECT   33   31                                                      
CONECT   34   32   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37   38                                            
CONECT   37   36   39   40                                            
CONECT   38   36                                                      
CONECT   39   37                                                      
CONECT   40   37   41   57                                            
CONECT   41   40   42   56                                            
CONECT   42   41   43   55                                            
CONECT   43   42   44   48                                            
CONECT   44   43   45                                                 
CONECT   45   44   46   47                                            
CONECT   46   45                                                      
CONECT   47   45                                                      
CONECT   48   43   49   54                                            
CONECT   49   48   50   53                                            
CONECT   50   49   51                                                 
CONECT   51   50   52                                                 
CONECT   52   51   15                                                 
CONECT   53   49   58                                                 
CONECT   54   48                                                      
CONECT   55   42                                                      
CONECT   56   41                                                      
CONECT   57   40                                                      
CONECT   58   53                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
M  END

$$$$
D0PF7S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.549   1.246   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.835   1.659   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.120   1.246   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.406   1.659   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.691   1.246   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.977   1.659   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.262   1.246   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.548   1.659   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -3.406   2.483   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.977   2.483   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.691   2.896   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.262   2.896   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.977   3.308   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.262   0.421   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -4.120   0.421   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.206   1.323   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.758   1.936   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.345   2.651   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.462   2.479   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       0.681   3.404   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       0.461   0.538   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.268   0.367   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.820   0.980   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.565   1.764   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       2.627   0.808   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       1.481  -0.430   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.898  -1.014   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.111  -1.810   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.528  -2.394   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.742  -3.191   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.538  -3.404   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.122  -2.821   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.908  -2.024   0.000  1.00  0.00           C  
HETATM   34 CL   UNL     1       2.492  -1.440   0.000  1.00  0.00          Cl  
HETATM   35  C   UNL     1       2.148   2.348   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.945   2.134   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.159   1.337   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       3.955   1.124   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       4.539   1.707   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       4.325   2.504   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       3.528   2.718   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       4.169   0.327   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       4.966   0.114   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       5.549   0.697   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1       5.336   1.494   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4   15                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    7   10                                            
CONECT    7    6    8   14                                            
CONECT    8    7   16   19                                            
CONECT    9    4                                                      
CONECT   10    6   11   12   13                                       
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13   10                                                      
CONECT   14    7                                                      
CONECT   15    3                                                      
CONECT   16    8   17   21                                            
CONECT   17   16   18   24                                            
CONECT   18   17   19   20                                            
CONECT   19   18    8                                                 
CONECT   20   18                                                      
CONECT   21   16   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24   25                                            
CONECT   24   23   17   35                                            
CONECT   25   23                                                      
CONECT   26   22   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   28   34                                            
CONECT   34   33                                                      
CONECT   35   24   36                                                 
CONECT   36   35   37   41                                            
CONECT   37   36   38                                                 
CONECT   38   37   39   42                                            
CONECT   39   38   40   45                                            
CONECT   40   39   41                                                 
CONECT   41   40   36                                                 
CONECT   42   38   43                                                 
CONECT   43   42   44                                                 
CONECT   44   43   45                                                 
CONECT   45   44   39                                                 
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
M  END

$$$$
D0PF9X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.960   1.543   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.163   1.757   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.366   1.543   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.373   0.829   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.576   1.042   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.779   0.829   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.576   2.471   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.982   1.042   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.779   0.004   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.493  -0.409   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.493  -1.234   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.779  -1.646   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.064  -1.234   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.064  -0.409   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.398   0.459   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.398   0.672   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.982   0.089   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.779   0.303   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.362  -0.281   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.159  -0.067   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.373   0.730   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.789   1.313   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.992   1.099   0.000  1.00  0.00           C  
HETATM   24  F   UNL     1      -1.779  -2.471   0.000  1.00  0.00           F  
CONECT    1    2    4                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    6                                                 
CONECT    4    1    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    3    8    9                                       
CONECT    7    2    5                                                 
CONECT    8    6   15                                                 
CONECT    9    6   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   24                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    8   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   12                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0PG1G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215  -0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215  -1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.501  -1.856   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.786  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.786  -0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM    7 BR   UNL     1      -3.930  -1.856   0.000  1.00  0.00          Br  
HETATM    8  N   UNL     1      -1.072  -0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.357  -0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.357  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.072  -0.619   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.786  -0.206   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.501  -0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.215  -0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.215   0.619   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.501   1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.786   0.619   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.357  -1.444   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.501   1.856   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.930  -0.619   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9                                                 
CONECT    9    8   10   18                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   20                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   12                                                 
CONECT   18    9                                                      
CONECT   19   16                                                      
CONECT   20   14                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0PG5N
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858   1.238   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.858   0.412   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.143   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429   1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143   1.650   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.143   2.475   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.429   2.888   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.429   3.712   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.143   4.125   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.858   3.712   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.858   2.888   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.715   4.125   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.000   3.712   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.000   2.888   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.715   2.475   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.429   2.888   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.429   3.712   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.715   4.125   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.715   4.950   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.715   1.650   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       1.429   1.238   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       2.143   1.650   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       0.715   0.000   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.715  -0.825   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.429  -1.238   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.143  -0.825   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.143   0.000   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       1.429  -2.062   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       2.143  -2.475   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.143  -3.300   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       2.858  -2.062   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1       2.858  -3.712   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.858  -4.537   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1       2.857  -4.537   0.000  1.00  0.00           N  
HETATM   37  C   UNL     1       2.143  -4.950   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       2.857  -3.712   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    9   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14   20                                            
CONECT   20   19                                                      
CONECT   21   16   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   25   29                                            
CONECT   24   22                                                      
CONECT   25   23   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   23                                                 
CONECT   30   27   31                                                 
CONECT   31   30   32   33                                            
CONECT   32   31   34                                                 
CONECT   33   31                                                      
CONECT   34   32   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37   38                                            
CONECT   37   36                                                      
CONECT   38   36                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0PG7W
  -OEChem-09301911222D

 36 38  0     0  0  0  0  0  0999 V2000
    7.2762    2.7044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0501    1.6802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    0.1593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718   -2.8890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -1.3648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.8648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -0.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.3648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3820    1.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1741    0.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    0.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -1.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2800    1.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1821    1.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -1.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4082    3.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9142    1.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4762   -1.9475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8747   -1.2572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.4848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8415    1.4804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7074   -0.1742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    0.7898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -2.5195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7162    3.7392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8701    3.5090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1003    2.6629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6021    0.6412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4499    0.8649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2262    1.7127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3361   -3.2011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 21  1  0  0  0  0
  2 17  1  0  0  0  0
  2 22  1  0  0  0  0
  3 19  2  0  0  0  0
  4 20  1  0  0  0  0
  4 36  1  0  0  0  0
  5 20  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  7 11  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 16  1  0  0  0  0
 12 26  1  0  0  0  0
 13 17  1  0  0  0  0
 13 27  1  0  0  0  0
 14 19  1  0  0  0  0
 14 28  1  0  0  0  0
 15 18  2  0  0  0  0
 15 29  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 30  1  0  0  0  0
 21 31  1  0  0  0  0
 21 32  1  0  0  0  0
 22 33  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
M  END

$$$$
D0PI1X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.028  -0.142   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.028  -0.967   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.313  -1.379   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.599  -0.967   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.599  -0.142   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.313   0.271   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.814  -1.222   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.329  -0.554   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.814   0.113   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.313   1.096   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.559   0.898   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.111   1.511   0.000  1.00  0.00           O  
HETATM   13  N   UNL     1       0.266   0.898   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.678   1.612   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.503   1.612   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.920   2.196   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.611   0.794   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.373   0.478   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.028   0.981   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.920   1.799   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.158   2.114   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.133   2.992   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       0.550   3.576   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.247   3.362   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.460   2.565   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.123   1.982   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.559  -2.006   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.111  -2.620   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.856  -3.404   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.049  -3.576   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.503  -2.963   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       0.248  -2.178   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8   27                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   11                                            
CONECT   10    6                                                      
CONECT   11    9   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17   21                                       
CONECT   16   15   22   26                                            
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   15                                                 
CONECT   22   16   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   16                                                 
CONECT   27    7   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0PI1Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.778  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.778  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.064  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.349  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.349  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.064   0.206   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.493  -1.444   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.635   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.080  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.794   0.206   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.635  -1.444   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       1.509  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.223   0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.223   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.509   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.794   1.031   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.008  -0.049   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       3.493   0.619   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       3.008   1.286   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   11                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   12   16                                            
CONECT   11    4                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   10                                                 
CONECT   17   13   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D0PI2I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.280  -0.130   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.280  -0.955   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.565  -1.368   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.149  -0.955   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.149  -0.130   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.565   0.282   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.864   0.282   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.578  -0.130   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.293   0.282   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       2.293   1.107   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.578   1.520   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.864   1.107   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.994  -1.368   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       3.007   1.520   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.722   1.107   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.436   1.520   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       5.151   1.107   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       5.865   1.520   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       5.151   0.282   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.916  -1.100   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.925  -0.275   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.644   0.130   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.354  -0.290   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.345  -1.115   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.627  -1.520   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.068   0.123   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.783   0.535   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.068   0.948   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.865  -0.091   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    2   20                                                 
CONECT   14   10   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20   13   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0PI5O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.357   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.357  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.357  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.072  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.072   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.357   0.825   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       0.529  -1.632   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       1.349  -1.718   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.685  -0.965   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.072  -0.825   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.762  -2.433   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.173  -1.675   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.357   1.650   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.072   2.062   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1      -0.357   2.062   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.786   1.650   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.501   2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.215   1.650   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       3.930   2.062   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       3.930   2.888   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.215   3.300   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.501   2.888   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.786   3.300   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.644   3.300   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       3.215   0.825   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.786  -0.412   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.501  -0.825   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.501  -1.650   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.786  -2.062   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.072  -1.650   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -3.215  -2.062   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1      -3.930  -1.650   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.644  -2.062   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1      -4.644  -2.888   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1      -3.930  -3.300   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.215  -2.888   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   13                                            
CONECT    7    3    8                                                 
CONECT    8    7    9   11   12                                       
CONECT    9    8    4                                                 
CONECT   10    2   26   30                                            
CONECT   11    8                                                      
CONECT   12    8                                                      
CONECT   13    6   14   15                                            
CONECT   14   13   16                                                 
CONECT   15   13                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19   25                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   17   23                                            
CONECT   23   22                                                      
CONECT   24   20                                                      
CONECT   25   18                                                      
CONECT   26   10   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   10                                                 
CONECT   31   28   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0PI7V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.071   1.389   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.071   0.564   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.643   0.151   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.358   0.564   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.358   1.389   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.643   1.801   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.142   0.308   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.627   0.976   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       2.142   1.643   0.000  1.00  0.00           O  
HETATM   10 CL   UNL     1       0.643   2.626   0.000  1.00  0.00          Cl  
HETATM   11  C   UNL     1      -0.786   0.151   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.500   0.564   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.786  -0.674   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.198  -1.389   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.373  -1.389   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.913  -1.801   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.913  -2.626   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1      -2.627  -1.389   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    6                                                      
CONECT   11    2   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14   15                                            
CONECT   14   13   15   16                                            
CONECT   15   14   13                                                 
CONECT   16   14   17   18                                            
CONECT   17   16                                                      
CONECT   18   16                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D0PJ1W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.537  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.537  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.822  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.108  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.108  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.822  -0.412   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.607  -2.062   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.321  -1.650   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.321  -0.825   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.607  -0.412   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.607   0.412   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.321   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.035   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.750   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.750   1.650   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.035   2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.321   1.650   0.000  1.00  0.00           C  
HETATM   18  F   UNL     1       0.607   2.062   0.000  1.00  0.00           F  
HETATM   19  F   UNL     1       3.464   2.062   0.000  1.00  0.00           F  
HETATM   20  S   UNL     1      -0.994   0.395   0.000  1.00  0.00           S  
HETATM   21  C   UNL     1      -1.814   0.481   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.150  -0.273   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.227   1.195   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.814   1.910   0.000  1.00  0.00           N  
HETATM   25  O   UNL     1      -3.052   1.195   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.464   0.481   0.000  1.00  0.00           C  
CONECT    1    2    6   22                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   20                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   18                                            
CONECT   18   17                                                      
CONECT   19   15                                                      
CONECT   20    6   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21    1                                                 
CONECT   23   21   24   25                                            
CONECT   24   23                                                      
CONECT   25   23   26                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0PJ2C
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.893  -2.396   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.893  -3.221   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.179  -3.634   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.464  -3.221   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.464  -2.396   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.179  -1.984   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.179  -1.159   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.607  -3.634   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.464  -0.746   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.464   0.079   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.750   0.491   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.750   1.316   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.464   1.729   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.179   1.316   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.179   0.491   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.035   0.236   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.520   0.904   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.035   1.571   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.035   2.396   0.000  1.00  0.00           C  
HETATM   20  H   UNL     1      -0.750  -0.334   0.000  1.00  0.00           H  
HETATM   21  C   UNL     1      -0.663   2.137   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.750   2.809   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.464   2.396   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.179   2.809   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.893   2.396   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.607   2.809   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.679   2.809   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.893   1.571   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.179   3.634   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.750  -1.984   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -0.750  -3.634   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   31                                            
CONECT    5    4    6   30                                            
CONECT    6    5    1    7                                            
CONECT    7    6    9                                                 
CONECT    8    2                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12   16   20                                       
CONECT   12   11   13   18   21                                       
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   11   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   12   19                                            
CONECT   19   18   22   27                                            
CONECT   20   11                                                      
CONECT   21   12                                                      
CONECT   22   19   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26   28                                            
CONECT   26   25                                                      
CONECT   27   19                                                      
CONECT   28   25                                                      
CONECT   29   24                                                      
CONECT   30    5                                                      
CONECT   31    4                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0PJ8O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.988   1.622   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.988   0.797   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.703   0.384   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.417   0.797   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.417   1.622   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.703   2.034   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       3.202   0.542   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       3.687   1.209   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       3.202   1.877   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1       0.274   0.384   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.441   0.797   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.155   0.384   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.441   1.622   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1      -1.909   0.720   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.461   0.107   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.049  -0.608   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.242  -0.436   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.286   0.107   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.699  -0.608   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.286  -1.322   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.461  -1.322   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.080   1.527   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.471   1.464   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.471   2.289   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.687   2.544   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.877   1.740   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.091   2.537   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.888   2.751   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.471   2.167   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.258   1.371   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.461   1.157   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.700  -2.036   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1      -2.986  -2.449   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -4.112  -2.751   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -4.415  -1.624   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   23                                            
CONECT    9    8    5   25                                            
CONECT   10    2   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11   14   17                                            
CONECT   13   11                                                      
CONECT   14   12   15   22                                            
CONECT   15   14   16   18                                            
CONECT   16   15   17   21                                            
CONECT   17   16   12                                                 
CONECT   18   15   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   32                                            
CONECT   21   20   16                                                 
CONECT   22   14   26                                                 
CONECT   23    8   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24    9                                                 
CONECT   26   22   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   20   33   34   35                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0PJ8X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.681  -1.072   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.856  -1.072   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.444  -0.357   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.856   0.357   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.681   0.357   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.094  -0.357   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.619  -0.357   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.206   0.357   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.619   1.072   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.444   1.072   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.619   0.357   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.444   0.357   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.269   0.357   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.681  -0.357   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.506  -0.357   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.919   0.357   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.506   1.072   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.681   1.072   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.094   1.072   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.919   1.072   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6   19                                            
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    8   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19    5   20                                                 
CONECT   20   19                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0PK0R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429   1.031   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.429   0.206   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.715  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000   0.206   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.000   1.031   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.715   1.444   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.143   1.444   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.143   2.269   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.858   2.681   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.572   2.269   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.572   1.444   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.858   1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.858   0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.572  -0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.572  -1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.858  -1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.143  -1.031   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.287  -1.444   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.429  -1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.715   1.444   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.429   1.031   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.143   1.444   0.000  1.00  0.00           C  
HETATM   24  F   UNL     1      -4.287   2.681   0.000  1.00  0.00           F  
HETATM   25  C   UNL     1      -5.001  -1.031   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.429  -2.269   0.000  1.00  0.00           N  
HETATM   27  O   UNL     1      -0.715  -1.031   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.715  -2.681   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.143  -2.681   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       1.016   0.317   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       1.841   0.317   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.858   1.031   0.000  1.00  0.00           C  
HETATM   33  CA  UNL     1       3.572   1.444   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       3.572   2.269   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       2.858   2.681   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.143   2.269   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.287   1.031   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1       5.001   1.444   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   21                                            
CONECT    6    5    1                                                 
CONECT    7    9   13    1                                            
CONECT    8    2   14   18                                            
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   24                                            
CONECT   12   11   13                                                 
CONECT   13   12    7                                                 
CONECT   14    8   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17    8   20                                            
CONECT   19   16   25                                                 
CONECT   20   18   26   27                                            
CONECT   21    5   22                                                 
CONECT   22   21   23   30   31                                       
CONECT   23   22   32   36                                            
CONECT   24   11                                                      
CONECT   25   19                                                      
CONECT   26   20   28   29                                            
CONECT   27   20                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30   22                                                      
CONECT   31   22                                                      
CONECT   32   23   33                                                 
CONECT   33   32   34   37                                            
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   23                                                 
CONECT   37   33   38                                                 
CONECT   38   37                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0PK4M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.296  -0.139   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.296  -0.964   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.010  -1.376   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.725  -0.964   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.725  -0.139   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       1.010   0.274   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.419   0.274   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.133  -0.139   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.133  -0.964   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.419  -1.376   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.010   1.099   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.725   1.511   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       2.439   1.099   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       3.154   1.511   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.154   2.336   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.439   2.749   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.725   2.336   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.848  -1.376   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.602  -1.041   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.154  -1.654   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1      -2.741  -2.368   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.934  -2.197   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.773  -0.234   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.321  -2.749   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.848   0.274   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.848   1.099   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       2.439   0.274   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -2.562   1.511   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.562   2.336   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   27                                            
CONECT    6    5    1   11                                            
CONECT    7    1    8                                                 
CONECT    8    7    9   25                                            
CONECT    9    8   10   18                                            
CONECT   10    9    2                                                 
CONECT   11    6   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    9   19   22                                            
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   18   24                                            
CONECT   23   19                                                      
CONECT   24   22                                                      
CONECT   25    8   26                                                 
CONECT   26   25   28                                                 
CONECT   27    5                                                      
CONECT   28   26   29                                                 
CONECT   29   28                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0PK6X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143  -1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -2.475   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -2.888   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715  -2.475   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715  -1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429  -1.238   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.429  -0.412   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1       0.000  -2.888   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.715  -2.475   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.429  -2.888   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.143  -2.475   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1       1.429  -3.712   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.715   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.715   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.429   1.238   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.143   0.825   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.143   0.000   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.715   0.000   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.715   0.825   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.000   1.238   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.429   2.062   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.858   1.238   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.858  -0.412   0.000  1.00  0.00           O  
HETATM   25  N   UNL     1       0.000   2.062   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       0.715   2.475   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       1.429  -0.412   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       0.000  -1.238   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.429   1.238   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.429   2.062   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.143   2.475   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.143   3.300   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.429   3.712   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       0.715   3.300   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1       0.000   3.712   0.000  1.00  0.00           F  
HETATM   36  I   UNL     1       2.858   3.712   0.000  1.00  0.00           I  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6   13   17                                            
CONECT    8    4    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13    7   14   18                                            
CONECT   14   13   15   21                                            
CONECT   15   14   16   22                                            
CONECT   16   15   17   23                                            
CONECT   17   16    7   24                                            
CONECT   18   13   19   28                                            
CONECT   19   18   20   27                                            
CONECT   20   19   21   29                                            
CONECT   21   20   14   25                                            
CONECT   22   15                                                      
CONECT   23   16                                                      
CONECT   24   17                                                      
CONECT   25   21   26                                                 
CONECT   26   25   30   34                                            
CONECT   27   19                                                      
CONECT   28   18                                                      
CONECT   29   20                                                      
CONECT   30   26   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   36                                            
CONECT   33   32   34                                                 
CONECT   34   33   26   35                                            
CONECT   35   34                                                      
CONECT   36   32                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0PL1I
  -OEChem-09301911212D

 53 54  0     1  0  0  0  0  0999 V2000
    2.8660    0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181   -0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2 13  2  0  0  0  0
  3 14  1  0  0  0  0
  3 22  1  0  0  0  0
  4 14  2  0  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  5 38  1  0  0  0  0
  6 12  1  0  0  0  0
  6 16  1  0  0  0  0
  6 39  1  0  0  0  0
  7 13  1  0  0  0  0
  7 15  1  0  0  0  0
  7 40  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 13  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 41  1  0  0  0  0
 18 21  2  0  0  0  0
 18 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 23  2  0  0  0  0
 20 46  1  0  0  0  0
 21 23  1  0  0  0  0
 21 47  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 48  1  0  0  0  0
 24 26  1  0  0  0  0
 24 49  1  0  0  0  0
 25 27  2  0  0  0  0
 25 50  1  0  0  0  0
 26 28  2  0  0  0  0
 26 51  1  0  0  0  0
 27 28  1  0  0  0  0
 27 52  1  0  0  0  0
 28 53  1  0  0  0  0
M  END

$$$$
D0PM1B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.510  -1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.510  -2.269   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.204  -2.681   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.919  -2.269   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.919  -1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.204  -1.031   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.704  -2.524   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1       2.188  -1.856   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.704  -1.189   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.224  -1.031   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.958  -0.404   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.765  -0.233   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1       1.407   0.209   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       3.020   0.552   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.827   0.724   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       4.082   1.508   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.530   2.121   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.723   1.950   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.468   1.165   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.224  -0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.939   0.206   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.653  -0.206   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.653  -1.031   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.939  -1.444   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.939   1.031   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.653   1.444   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.653   2.269   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.368   2.681   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.082   2.269   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.082   1.444   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.368   1.031   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.171   2.563   0.000  1.00  0.00           C  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   11                                            
CONECT   10    1   20   24                                            
CONECT   11    9   12   13                                            
CONECT   12   11   14                                                 
CONECT   13   11                                                      
CONECT   14   12   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   32                                            
CONECT   19   18   14                                                 
CONECT   20   10   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   10                                                 
CONECT   25   21   26                                                 
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   18                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0PM2S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.357   1.540   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.055   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.770   0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.770   0.412   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.484   0.412   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       2.199   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.913   0.412   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       3.628   0.825   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       4.342   0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       5.057   0.825   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       5.057   1.650   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       4.342   2.062   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.628   1.650   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       5.771   2.062   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       2.913  -0.412   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.484   0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.199   0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.199  -0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.484  -0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.770  -0.412   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.913  -0.825   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.628  -0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.342  -0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.057  -0.412   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.771  -0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.771  -1.650   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.057  -2.062   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.342  -1.650   0.000  1.00  0.00           C  
CONECT    1    2    3                                                 
CONECT    2    1    3    4                                            
CONECT    3    2    1    5                                            
CONECT    4    2   16   20                                            
CONECT    5    3    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    8   15                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11                                                      
CONECT   15    7                                                      
CONECT   16    4   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19    4                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END

$$$$

$$$$

$$$$
D0PM3J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.993  -1.433   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.993  -2.258   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.278  -2.671   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.564  -2.258   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.564  -1.433   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.278  -1.020   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.849  -1.020   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.135  -1.433   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.420  -1.020   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.706  -1.433   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.009  -1.020   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.723  -1.433   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.438  -1.020   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.152  -1.433   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.866  -1.020   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.420  -0.196   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       0.009  -0.196   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       0.723  -2.258   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       3.620  -1.356   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.172  -0.743   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.760  -0.029   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1       2.953  -0.200   0.000  1.00  0.00           O  
HETATM   23 BR   UNL     1       4.993  -0.829   0.000  1.00  0.00          Br  
HETATM   24  C   UNL     1       0.723   0.217   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.520   0.003   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       1.969   0.695   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       1.450   1.337   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.680   1.041   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.579   2.151   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.938   2.671   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.168   2.375   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.039   1.560   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   16                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   17                                            
CONECT   12   11   13   18                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   19   22                                            
CONECT   16    9                                                      
CONECT   17   11   24                                                 
CONECT   18   12                                                      
CONECT   19   15   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   15                                                 
CONECT   23   20                                                      
CONECT   24   17   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   24   32                                            
CONECT   29   27   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   28                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0PM8K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.439  -1.581   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.856  -2.165   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.059  -1.951   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.845  -1.154   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.429  -0.571   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.226  -0.784   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -4.236  -1.795   0.000  1.00  0.00           F  
HETATM    8  F   UNL     1      -1.049  -0.941   0.000  1.00  0.00           F  
HETATM    9  C   UNL     1      -3.809  -0.201   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.596   0.596   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.825   0.891   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.869   1.715   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.665   1.929   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -4.115   1.237   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.090   0.517   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.398   0.966   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.442   1.790   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.177   2.165   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.663   0.592   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       0.029   1.041   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.799   0.745   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1       1.318   1.387   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       0.869   2.078   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.072   1.865   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.142   1.343   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.591   2.035   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.415   1.992   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       4.236   1.949   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    9                                            
CONECT    7    1                                                      
CONECT    8    4                                                      
CONECT    9    6   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12   15                                            
CONECT   12   11   13   18                                            
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   12                                                 
CONECT   19   16   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   20                                                 
CONECT   25   22   26                                                 
CONECT   26   27   25                                                 
CONECT   27   28   26                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END

$$$$

$$$$

$$$$
D0PN6U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.567  -1.419   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.108  -0.945   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.035  -0.123   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.713   0.225   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.388  -0.249   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.315  -1.071   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.710   0.351   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.491   0.084   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.986   0.744   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       1.512   1.419   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.724   1.176   0.000  1.00  0.00           C  
HETATM   12  S   UNL     1       2.811   0.731   0.000  1.00  0.00           S  
HETATM   13  O   UNL     1      -2.136   0.098   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.811  -0.376   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   13                                            
CONECT    6    5    1                                                 
CONECT    7    3    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11                                                 
CONECT   11   10    7                                                 
CONECT   12    9                                                      
CONECT   13    5   14                                                 
CONECT   14   13                                                      
MASTER        0    0    0    0    0    0    0    0   14    0   14    0
END
M  END

$$$$
D0PN7H
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.633   2.634   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.836   2.421   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.622   1.624   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.206   1.040   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       3.003   1.254   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.216   2.051   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1       2.846   3.431   0.000  1.00  0.00          Cl  
HETATM    8  N   UNL     1       1.992   0.244   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.195   0.030   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       0.612   0.613   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1       0.982  -0.767   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.185  -0.980   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.029  -1.777   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.029  -0.184   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.612  -0.767   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.825  -1.991   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.039  -2.788   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.456  -3.371   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.341  -3.158   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.555  -2.361   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.836  -3.001   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.419  -2.418   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.049  -3.798   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.216  -2.631   0.000  1.00  0.00           O  
HETATM   25  N   UNL     1       1.253   3.004   0.000  1.00  0.00           N1+
HETATM   26  O   UNL     1       1.465   3.798   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1       0.458   2.791   0.000  1.00  0.00           O1-
CONECT    1    2    6    7                                            
CONECT    2   25    1    3                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    4    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13   14   15                                       
CONECT   13   12   16   20                                            
CONECT   14   12                                                      
CONECT   15   12                                                      
CONECT   16   13   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   13                                                 
CONECT   21   17   22   23                                            
CONECT   22   21   24                                                 
CONECT   23   21                                                      
CONECT   24   22                                                      
CONECT   25   26   27    2                                            
CONECT   26   25                                                      
CONECT   27   25                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0PO3M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.119   1.933   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.294   1.933   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.881   1.219   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.294   0.504   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.119   0.504   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.531   1.219   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.057   1.219   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.428   1.886   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.213   1.631   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.213   0.806   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.428   0.551   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.927   2.044   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.642   1.631   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.642   0.806   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.927   0.394   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.357   0.394   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.173  -0.233   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.726  -0.847   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.532  -0.675   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1      -0.471  -1.631   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.336  -1.803   0.000  1.00  0.00           C  
HETATM   22 CL   UNL     1       3.357   1.219   0.000  1.00  0.00          Cl  
HETATM   23  C   UNL     1      -1.729  -1.460   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.146  -2.044   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.213  -1.389   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.001  -0.592   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.798  -0.379   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.381  -0.962   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.167  -1.759   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.371  -1.972   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   22                                            
CONECT    7    3    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11   15                                            
CONECT   11   10    7   17                                            
CONECT   12    9   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   10                                                 
CONECT   16   14                                                      
CONECT   17   11   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   21   24                                            
CONECT   21   20   25                                                 
CONECT   22    6                                                      
CONECT   23   24                                                      
CONECT   24   20   23                                                 
CONECT   25   21   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0PO7F
  -OEChem-10191522252D

 62 65  0     1  0  0  0  0  0999 V2000
    2.0000   -1.3855    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -0.0195    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.7515    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.2083    2.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9192   -3.8850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5010   -3.9656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8726    3.7594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1618    4.9161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -2.1902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -0.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9407    0.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5655   -3.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5620    2.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2728    1.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5835    2.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8762   -4.2975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2334   -2.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5190    3.2213    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.2119   -2.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5225   -3.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4975    3.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8512    3.9656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8117   -4.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1339    0.0777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9696    0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600   -2.0055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4800   -1.3855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600   -0.7655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -2.1955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0473   -5.0930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0043   -5.5055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4010   -4.7235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 35  1  0  0  0  0
  2 35  1  0  0  0  0
  3 35  1  0  0  0  0
  4 23  1  0  0  0  0
 31  4  1  6  0  0  0
  5 21  1  0  0  0  0
  5 35  1  0  0  0  0
  6 20  2  0  0  0  0
  7 34  1  0  0  0  0
  7 38  1  0  0  0  0
  8 37  1  0  0  0  0
  8 59  1  0  0  0  0
  9 37  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 15  1  0  0  0  0
 12 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 19  1  0  0  0  0
 14 18  1  0  0  0  0
 15 17  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 21  2  0  0  0  0
 16 41  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  2  0  0  0  0
 18 22  2  0  0  0  0
 18 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 22 46  1  0  0  0  0
 23 26  2  0  0  0  0
 24 27  1  0  0  0  0
 24 47  1  0  0  0  0
 25 29  2  0  0  0  0
 25 30  1  0  0  0  0
 26 28  1  0  0  0  0
 26 48  1  0  0  0  0
 27 28  2  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
 29 32  1  0  0  0  0
 29 51  1  0  0  0  0
 30 33  2  0  0  0  0
 30 52  1  0  0  0  0
 31 36  1  0  0  0  0
 31 37  1  0  0  0  0
 31 53  1  0  0  0  0
 32 34  2  0  0  0  0
 32 54  1  0  0  0  0
 33 34  1  0  0  0  0
 33 55  1  0  0  0  0
 36 56  1  0  0  0  0
 36 57  1  0  0  0  0
 36 58  1  0  0  0  0
 38 60  1  0  0  0  0
 38 61  1  0  0  0  0
 38 62  1  0  0  0  0
M  END

$$$$
D0PO8N
  -OEChem-09301911202D

 66 71  0     0  0  0  0  0  0999 V2000
    8.0622    0.7632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3820    2.0803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8744   -2.0416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -2.2368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3072    3.2782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1636    0.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4743    1.6752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -0.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0233    3.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    1.0732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  1  0  0  0  0
  1 16  1  0  0  0  0
  2 25  1  0  0  0  0
  2 30  1  0  0  0  0
  3 29  1  0  0  0  0
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  6 19  1  0  0  0  0
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  7 19  1  0  0  0  0
  7 22  2  0  0  0  0
  8 22  1  0  0  0  0
  8 28  1  0  0  0  0
  8 52  1  0  0  0  0
  9 26  1  0  0  0  0
  9 30  2  0  0  0  0
 10 36  1  0  0  0  0
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 10 63  1  0  0  0  0
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 23 25  1  0  0  0  0
 23 50  1  0  0  0  0
 24 27  2  0  0  0  0
 24 51  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 53  1  0  0  0  0
 28 29  2  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
 30 35  1  0  0  0  0
 31 34  2  0  0  0  0
 31 54  1  0  0  0  0
 32 33  2  0  0  0  0
 32 55  1  0  0  0  0
 33 34  1  0  0  0  0
 33 36  1  0  0  0  0
 34 56  1  0  0  0  0
 35 57  1  0  0  0  0
 35 58  1  0  0  0  0
 35 59  1  0  0  0  0
 37 60  1  0  0  0  0
 37 61  1  0  0  0  0
 37 62  1  0  0  0  0
 38 64  1  0  0  0  0
 38 65  1  0  0  0  0
 38 66  1  0  0  0  0
M  END

$$$$
D0PP8O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.231   0.321   0.000  1.00  0.00           N  
HETATM    2  N   UNL     1      -2.231  -0.504   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.517  -0.916   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.803  -0.504   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.803   0.321   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.517   0.734   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.189   0.873   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.525   1.627   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.345   1.541   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.517  -1.741   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.803  -2.154   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.088  -1.741   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.088  -0.916   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.898   2.154   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.618   0.702   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.872  -0.083   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.679  -0.254   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.231   0.359   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.977   1.143   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.170   1.315   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1       0.915   2.099   0.000  1.00  0.00          Cl  
HETATM   22  O   UNL     1       0.626  -2.154   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.341  -1.741   0.000  1.00  0.00           C  
HETATM   24 CL   UNL     1       1.934  -1.039   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   10                                            
CONECT    4    3    5   13                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1    9                                            
CONECT    7    5    8   15                                            
CONECT    8    7    9                                                 
CONECT    9    8    6   14                                            
CONECT   10    3   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   22                                            
CONECT   13   12    4                                                 
CONECT   14    9                                                      
CONECT   15    7   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   24                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
CONECT   22   12   23                                                 
CONECT   23   22                                                      
CONECT   24   17                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0PQ5P
  -OEChem-09301911202D

 41 43  0     1  0  0  0  0  0999 V2000
    5.2619   -1.9930    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    0.6051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.5438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.2610    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2619   -0.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.0657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    0.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    1.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -2.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -1.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    1.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -2.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8819   -0.2610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    1.1331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -0.0055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3445    0.3930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -0.5901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3695    2.0817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6793    1.6831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -3.3960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8819   -1.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    0.8511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8819    1.4711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    2.0911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -3.3960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
  3 24  1  0  0  0  0
  3 41  1  0  0  0  0
  4 24  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 26  1  0  0  0  0
  6 12  2  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 25  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 13 17  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 18  1  0  0  0  0
 14 24  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 16 30  1  0  0  0  0
 17 22  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  2  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 23  1  0  0  0  0
 20 35  1  0  0  0  0
 21 23  2  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
M  END

$$$$
D0PS0J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.136   1.337   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.136   0.512   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.421   0.099   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.707   0.512   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.707   1.337   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.421   1.749   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.992   0.099   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.278   0.512   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.278   1.337   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.992   1.749   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.563   0.099   0.000  1.00  0.00           N  
HETATM   12  F   UNL     1      -5.850   1.749   0.000  1.00  0.00           F  
HETATM   13  F   UNL     1      -4.421  -0.726   0.000  1.00  0.00           F  
HETATM   14  C   UNL     1      -0.849   0.512   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.134   0.099   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.134  -0.726   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1       0.580   0.512   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.295   0.099   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.295  -0.726   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.079  -0.981   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.564  -0.313   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.079   0.354   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.293  -1.777   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.496  -1.991   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.079  -2.574   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.090  -1.991   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       3.673  -1.408   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       4.470  -1.621   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.053  -1.038   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.466  -0.323   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.641  -0.323   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.850  -1.251   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.849   1.337   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.134   1.749   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.134   2.574   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   13                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    8   14                                                 
CONECT   12    1                                                      
CONECT   13    3                                                      
CONECT   14   11   15   33                                            
CONECT   15   14   16   17                                            
CONECT   16   15                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   18                                                 
CONECT   23   20   24   25   26                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   31   32                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
CONECT   33   14   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0PT0U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.881   1.197   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.603   1.596   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.310   1.170   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.294   0.345   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.572  -0.054   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.865   0.372   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.032   1.569   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.143  -0.027   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.437   0.399   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.715   0.000   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -1.452   1.224   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.699  -0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.023  -1.224   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.730  -0.798   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.714   0.027   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.008   0.426   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.452  -1.197   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.467  -2.022   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.189  -2.421   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.896  -1.995   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.880  -1.170   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.158  -0.771   0.000  1.00  0.00           C  
HETATM   23 CL   UNL     1       2.143   0.054   0.000  1.00  0.00          Cl  
HETATM   24  F   UNL     1      -5.754   1.968   0.000  1.00  0.00           F  
HETATM   25  H   UNL     1      -3.619   2.421   0.000  1.00  0.00           H  
HETATM   26  F   UNL     1      -4.619   2.284   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1      -5.444   0.855   0.000  1.00  0.00           F  
HETATM   28  C   UNL     1       3.610  -2.408   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.325  -1.995   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.039  -2.408   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       5.754  -1.995   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       4.325  -1.170   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   25                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    3   24   26   27                                       
CONECT    8    6    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   12   16                                            
CONECT   11    9                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   10                                                 
CONECT   17   14   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   28                                            
CONECT   21   20   22                                                 
CONECT   22   21   17   23                                            
CONECT   23   22                                                      
CONECT   24    7                                                      
CONECT   25    2                                                      
CONECT   26    7                                                      
CONECT   27    7                                                      
CONECT   28   20   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30                                                      
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0PT8T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.644  -0.356   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.822  -0.356   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.411   0.356   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.822   1.068   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.644   1.068   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.055   0.356   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.877   0.356   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.411   1.780   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.411   0.356   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.822  -0.356   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       0.822   1.068   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       1.644  -0.356   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.411  -1.068   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       2.055  -1.068   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       2.877  -1.068   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.644  -1.780   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    9                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    4                                                      
CONECT    9    3   10   11                                            
CONECT   10    9   12   13                                            
CONECT   11    9                                                      
CONECT   12   10   14                                                 
CONECT   13   10                                                      
CONECT   14   12   15   16                                            
CONECT   15   14                                                      
CONECT   16   14                                                      
MASTER        0    0    0    0    0    0    0    0   16    0   16    0
END
M  END

$$$$
D0PU1L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.731  -0.380   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.443   0.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       3.155  -0.380   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       3.867   0.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       3.867   0.853   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.155   1.264   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.443   0.853   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       4.579   1.264   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       5.291   0.853   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1       4.579   2.086   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1       0.977  -0.044   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.425  -0.657   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.838  -1.372   0.000  1.00  0.00           C  
HETATM   14  S   UNL     1       1.645  -1.200   0.000  1.00  0.00           S  
HETATM   15  C   UNL     1       0.425  -2.086   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.289  -0.245   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.004  -0.657   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.718  -0.245   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.433  -0.657   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.147  -0.245   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.862  -0.657   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.576  -0.245   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.291  -0.657   0.000  1.00  0.00           C  
HETATM   24  F   UNL     1       4.581  -0.381   0.000  1.00  0.00           F  
CONECT    1    2   11   14                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   24                                            
CONECT    5    4    6    8                                            
CONECT    6    5    7                                                 
CONECT    7    6    2                                                 
CONECT    8    5    9   10                                            
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11    1   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14   15                                            
CONECT   14   13    1                                                 
CONECT   15   13                                                      
CONECT   16   12   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22                                                      
CONECT   24    4                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0PU2A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.136   1.601   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.136   0.776   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.850   0.363   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.565   0.776   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.565   1.601   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.850   2.013   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.579   0.363   0.000  1.00  0.00           C  
HETATM    8  B   UNL     1       2.279   2.013   0.000  1.00  0.00           B  
HETATM    9  O   UNL     1       2.279   2.838   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1       2.994   1.601   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1      -1.293   0.776   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1      -1.906   0.224   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.571  -0.530   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.750  -0.444   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.983  -1.244   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.780  -1.458   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.994  -2.255   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.410  -2.838   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.613  -2.625   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.400  -1.828   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2   11   14                                            
CONECT    8    5    9   10                                            
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11    7   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13    7                                                 
CONECT   15   13   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0PW0R
  -OEChem-09301911172D

 67 71  0     0  0  0  0  0  0999 V2000
    7.4641    7.5420    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -6.4220    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    4.9440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.4220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.9220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -6.9220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    2.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9641    4.9440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9641    6.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4641    5.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641    6.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    3.4703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    4.1606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    4.1606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    3.4703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    1.9953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    2.6856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    2.6856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    1.9953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3441    4.9440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2741    4.4070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6541    7.2130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0841    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.8879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.6121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.6121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.6120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.6120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.6120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -3.6120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -5.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -5.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -5.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -7.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 40  1  0  0  0  0
  3 11  1  0  0  0  0
  3 50  1  0  0  0  0
  4 17  2  0  0  0  0
  5 26  1  0  0  0  0
  5 29  1  0  0  0  0
  6 27  1  0  0  0  0
  6 30  1  0  0  0  0
  7 41  1  0  0  0  0
  7 67  1  0  0  0  0
  8 41  2  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 17  1  0  0  0  0
 10 17  1  0  0  0  0
 10 23  1  0  0  0  0
 10 55  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 14  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 15  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 46  1  0  0  0  0
 14 47  1  0  0  0  0
 15 48  1  0  0  0  0
 15 49  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 51  1  0  0  0  0
 19 21  2  0  0  0  0
 19 52  1  0  0  0  0
 20 22  2  0  0  0  0
 20 53  1  0  0  0  0
 21 22  1  0  0  0  0
 21 54  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 56  1  0  0  0  0
 25 27  2  0  0  0  0
 25 57  1  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 28 58  1  0  0  0  0
 29 31  2  0  0  0  0
 29 32  1  0  0  0  0
 30 33  2  0  0  0  0
 30 34  1  0  0  0  0
 31 35  1  0  0  0  0
 31 59  1  0  0  0  0
 32 36  2  0  0  0  0
 32 60  1  0  0  0  0
 33 38  1  0  0  0  0
 33 61  1  0  0  0  0
 34 39  2  0  0  0  0
 34 62  1  0  0  0  0
 35 37  2  0  0  0  0
 35 63  1  0  0  0  0
 36 37  1  0  0  0  0
 36 64  1  0  0  0  0
 37 41  1  0  0  0  0
 38 40  2  0  0  0  0
 38 65  1  0  0  0  0
 39 40  1  0  0  0  0
 39 66  1  0  0  0  0
M  END

$$$$
D0PX1D
  -OEChem-09301911152D

 53 57  0     0  0  0  0  0  0999 V2000
    6.3201    4.4513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.8994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4283    3.9989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    2.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5365    3.5464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8807    3.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9758    4.8906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -1.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -2.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318   -2.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103   -2.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209   -3.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994   -3.9137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101   -4.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673   -3.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1886   -5.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5458   -3.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8564   -4.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4597    2.2512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2560    4.0993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9836    3.2659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1612    2.5542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4336    3.3876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    2.5194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3747   -2.5800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3812   -5.6597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9598   -2.9141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4631   -4.4540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 38  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  2 14  1  0  0  0  0
  3 10  2  0  0  0  0
  3 13  1  0  0  0  0
  4 15  2  0  0  0  0
  4 17  1  0  0  0  0
  5 15  1  0  0  0  0
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  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 30  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 39  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 40  1  0  0  0  0
 18 20  1  0  0  0  0
 18 41  1  0  0  0  0
 19 21  2  0  0  0  0
 19 42  1  0  0  0  0
 20 22  2  0  0  0  0
 20 45  1  0  0  0  0
 21 22  1  0  0  0  0
 21 46  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 49  1  0  0  0  0
 26 28  2  0  0  0  0
 26 50  1  0  0  0  0
 27 29  2  0  0  0  0
 27 51  1  0  0  0  0
 28 29  1  0  0  0  0
 28 52  1  0  0  0  0
 29 53  1  0  0  0  0
M  END

$$$$
D0PY0G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786   1.031   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.072   0.619   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.357   1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.357   0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.072   1.031   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       1.786   0.619   0.000  1.00  0.00           N  
HETATM    7  O   UNL     1      -1.786   1.856   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.501   0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.215   1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.930   0.619   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.930  -0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.215  -0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.501  -0.619   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.215  -0.206   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.215   0.619   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.501   1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.930  -0.619   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.930  -1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.644  -1.856   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       5.359  -1.444   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       5.359  -0.619   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.644  -0.206   0.000  1.00  0.00           C  
HETATM   25 CL   UNL     1       6.073  -0.206   0.000  1.00  0.00          Cl  
HETATM   26  C   UNL     1       3.215  -1.856   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.644   1.031   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -5.359   0.619   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.359  -0.206   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -4.644  -0.619   0.000  1.00  0.00           N  
HETATM   31  O   UNL     1      -6.073   1.031   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -6.073  -0.619   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.073  -1.444   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.359  -1.856   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.644  -1.444   0.000  1.00  0.00           C  
CONECT    1    2    7    8                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5   14   18                                            
CONECT    7    1                                                      
CONECT    8    1    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   27                                            
CONECT   11   10   12   30                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    6   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17    6                                                 
CONECT   19   16   20   24                                            
CONECT   20   19   21   26                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   19                                                 
CONECT   25   23                                                      
CONECT   26   20                                                      
CONECT   27   10   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30   32                                            
CONECT   30   29   11   35                                            
CONECT   31   28                                                      
CONECT   32   29   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END

$$$$

$$$$

$$$$
D0PY1G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.483   0.259   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.265   0.513   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.436   1.318   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.825   1.868   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.043   1.614   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.872   0.809   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1       2.876  -0.037   0.000  1.00  0.00           F  
HETATM    8  N   UNL     1       1.312  -0.545   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.561  -0.879   0.000  1.00  0.00           C  
HETATM   10  S   UNL     1       0.647  -1.697   0.000  1.00  0.00           S  
HETATM   11  C   UNL     1       1.451  -1.868   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.862  -1.156   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       2.680  -1.070   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1      -0.151  -0.468   0.000  1.00  0.00           N  
HETATM   15  N   UNL     1      -0.151   0.354   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.863   0.765   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.575   0.354   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.863   1.587   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.326   0.688   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.876   0.077   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.465  -0.634   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1      -1.661  -0.464   0.000  1.00  0.00           S  
HETATM   23 CL   UNL     1      -2.799  -1.386   0.000  1.00  0.00          Cl  
CONECT    1    2    6    8                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    1    9   12                                            
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    8   13                                            
CONECT   13   12                                                      
CONECT   14    9   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   19   22                                            
CONECT   18   16                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   17                                                 
CONECT   23   21                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0PY4S
  -OEChem-09301911162D

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  8 69  1  0  0  0  0
  9 34  2  0  0  0  0
  9 71  1  0  0  0  0
 10 37  1  0  0  0  0
 10 39  2  0  0  0  0
 11 39  1  0  0  0  0
 11 73  1  0  0  0  0
 11 74  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 17  1  0  0  0  0
 12 40  1  0  0  0  0
 13 15  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 16  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 19  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 20  1  0  0  0  0
 19 52  1  0  0  0  0
 19 53  1  0  0  0  0
 20 21  1  0  0  0  0
 20 51  1  0  0  0  0
 21 22  1  0  0  0  0
 21 54  1  0  0  0  0
 21 55  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 27  1  0  0  0  0
 23 29  2  0  0  0  0
 24 26  1  0  0  0  0
 24 59  1  0  0  0  0
 25 28  2  0  0  0  0
 25 60  1  0  0  0  0
 26 30  2  0  0  0  0
 26 34  1  0  0  0  0
 27 31  2  0  0  0  0
 27 61  1  0  0  0  0
 28 30  1  0  0  0  0
 28 62  1  0  0  0  0
 29 32  1  0  0  0  0
 29 63  1  0  0  0  0
 30 64  1  0  0  0  0
 31 33  1  0  0  0  0
 31 35  1  0  0  0  0
 32 33  2  0  0  0  0
 32 65  1  0  0  0  0
 33 66  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 36 38  2  0  0  0  0
 36 67  1  0  0  0  0
 37 70  1  0  0  0  0
 38 39  1  0  0  0  0
 38 72  1  0  0  0  0
M  END

$$$$
D0Q0XN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.987   3.826   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.162   3.826   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.749   3.111   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.924   3.111   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.511   2.397   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.687   2.397   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.274   1.682   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.449   1.682   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.036   0.968   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.788   0.968   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.201   0.253   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.026   0.253   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.687   0.968   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.449   0.253   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       1.201   1.682   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       2.438  -0.461   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.264  -0.461   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.438   0.968   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.264   0.968   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.676   1.682   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.676   0.253   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.026  -1.176   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.312  -0.763   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       1.312  -1.588   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       2.653  -1.783   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       3.461  -1.615   0.000  1.00  0.00           O  
HETATM   27 SI   UNL     1       3.832  -2.352   0.000  1.00  0.00          Si  
HETATM   28  C   UNL     1       3.024  -2.520   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.285  -1.662   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.203  -3.089   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.751  -3.779   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.574  -3.826   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.987  -3.348   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    8   13                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   16   18                                            
CONECT   13    7                                                      
CONECT   14    9                                                      
CONECT   15   10                                                      
CONECT   16   12   17   22                                            
CONECT   17   16                                                      
CONECT   18   12   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   16   23   24   25                                       
CONECT   23   22   24                                                 
CONECT   24   23   22                                                 
CONECT   25   22   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0Q1BE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.889   1.053   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.889   0.228   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.175  -0.185   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.460   0.228   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.460   1.053   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.175   1.465   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.746  -0.185   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.175  -1.010   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.889  -1.422   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.889  -2.247   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.175  -2.660   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.460  -2.247   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.460  -1.422   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.675  -2.502   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.191  -1.835   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.675  -1.167   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.366  -1.835   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.047  -2.549   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.872  -2.549   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.284  -1.835   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.872  -1.120   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.047  -1.120   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.109  -1.835   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.522  -2.549   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       2.109  -3.264   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.522  -3.978   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       3.347  -3.978   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       3.759  -3.264   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.347  -2.549   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -1.793   1.486   0.000  1.00  0.00           N  
HETATM   31  O   UNL     1      -1.031   0.228   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1      -0.205   1.692   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -0.357   2.291   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.044   2.716   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.786   2.274   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       0.414   2.827   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       0.317   3.557   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.452   4.043   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.153   3.569   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       3.889  -4.623   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       1.121   3.916   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       1.946   3.902   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       1.545   4.623   0.000  1.00  0.00           C  
HETATM   44  O   UNL     1      -2.473   2.740   0.000  1.00  0.00           O  
HETATM   45  C   UNL     1      -1.298   0.991   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1      -0.597   1.094   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   30                                            
CONECT    6    5    1                                                 
CONECT    7    4   31                                                 
CONECT    8    3    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    8   16                                            
CONECT   14   12   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   13                                                 
CONECT   17   15   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   20   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   40                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30    5   35   45                                            
CONECT   31    7                                                      
CONECT   32   33   46                                                 
CONECT   33   32   34   36                                            
CONECT   34   33   35   39                                            
CONECT   35   34   30   44                                            
CONECT   36   33   37                                                 
CONECT   37   36   38   41                                            
CONECT   38   37   39                                                 
CONECT   39   38   34                                                 
CONECT   40   27                                                      
CONECT   41   37   42   43                                            
CONECT   42   41   43                                                 
CONECT   43   42   41                                                 
CONECT   44   35                                                      
CONECT   45   30   46                                                 
CONECT   46   45   32                                                 
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
M  END

$$$$
D0Q1EG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.357   1.952   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.055   1.238   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.770   1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.770   0.825   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.484   0.825   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       2.199   1.238   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.913   0.825   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       3.628   1.238   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       4.342   0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       5.057   1.238   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       5.057   2.062   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       4.342   2.475   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.628   2.062   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       5.771   2.475   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.484   1.238   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.199   0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.199   0.000   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.484  -0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.770   0.000   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.913  -0.412   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.628   0.000   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.342  -0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.057   0.000   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.771  -0.412   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.771  -1.238   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.057  -1.650   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.342  -1.238   0.000  1.00  0.00           C  
HETATM   28 CL   UNL     1      -5.057  -2.475   0.000  1.00  0.00          Cl  
CONECT    1    2    3                                                 
CONECT    2    1    3    4                                            
CONECT    3    2    1    5                                            
CONECT    4    2   15   19                                            
CONECT    5    3    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11                                                      
CONECT   15    4   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18    4                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   22                                                 
CONECT   28   26                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END

$$$$

$$$$

$$$$
D0Q1HU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.126  -0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.126  -1.238   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.411  -1.650   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.303  -1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.303  -0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.411   0.000   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.411   0.825   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       1.018   0.000   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.018  -1.650   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.840  -1.650   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.015   0.825   0.000  1.00  0.00           C  
HETATM   12  F   UNL     1       0.190   0.825   0.000  1.00  0.00           F  
HETATM   13  F   UNL     1       1.015   1.650   0.000  1.00  0.00           F  
HETATM   14  F   UNL     1       1.840   0.825   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    5   11                                                 
CONECT    9    4                                                      
CONECT   10    2                                                      
CONECT   11    8   12   13   14                                       
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14   11                                                      
MASTER        0    0    0    0    0    0    0    0   14    0   14    0
END
M  END

$$$$
D0Q1MN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.729   0.240   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.729  -0.585   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.015  -0.997   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.300  -0.585   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.300   0.240   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.015   0.653   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.586   0.653   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.128   0.240   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -0.586   1.478   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       0.843   0.653   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.557   0.240   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.272   0.653   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.272   1.478   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.557   1.890   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.843   1.478   0.000  1.00  0.00           C  
HETATM   16 CL   UNL     1       2.986   1.890   0.000  1.00  0.00          Cl  
HETATM   17  N   UNL     1      -3.342  -1.137   0.000  1.00  0.00           N  
HETATM   18  N   UNL     1      -3.007  -1.890   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.187  -1.804   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       2.628   0.447   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       3.342   0.034   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   17                                            
CONECT    3    2    4   19                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   20                                            
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13                                                      
CONECT   17    2   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18    3                                                 
CONECT   20   12   21                                                 
CONECT   21   20                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0Q1NA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.262  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.262  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.548  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.833  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.833  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.548  -0.412   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -4.977  -2.062   0.000  1.00  0.00           F  
HETATM    8  C   UNL     1      -2.119  -0.412   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.405  -0.825   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.690  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.024  -0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.739  -0.412   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.739   0.412   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.024   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.690   0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.453   0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.168   0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.882   0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.882   1.650   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.168   2.062   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.453   1.650   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.667   0.570   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       4.152   1.238   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       3.667   1.905   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       3.922  -0.215   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.977   1.238   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       0.024   1.650   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   27                                            
CONECT   15   14   10                                                 
CONECT   16   13   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   18   23   25                                            
CONECT   23   22   24   26                                            
CONECT   24   23   19                                                 
CONECT   25   22                                                      
CONECT   26   23                                                      
CONECT   27   14                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0Q1NF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143  -1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.429   0.206   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.715  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.000   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.715  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.429   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.429   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.000   1.031   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       2.143  -0.206   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       2.143  -1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.858   0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.572  -0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.858  -1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.715   1.444   0.000  1.00  0.00           C  
CONECT    1    2    3                                                 
CONECT    2    1    6                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    2    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   19                                                 
CONECT   13    9   19                                                 
CONECT   14   11   15   16                                            
CONECT   15   14   18                                                 
CONECT   16   14   17                                                 
CONECT   17   16                                                      
CONECT   18   15                                                      
CONECT   19   12   13                                                 
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D0Q1QY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.357   0.206   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.357  -0.619   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       1.072  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.786  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.786   0.206   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       1.072   0.619   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       2.501  -1.031   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       2.501  -1.856   0.000  1.00  0.00           O  
HETATM    9  N   UNL     1       3.215  -0.619   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1       3.930  -1.031   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1      -0.357   0.619   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.786   0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.786   1.444   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.501   1.856   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.215   1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.215   0.619   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM   19  H   UNL     1      -3.930   0.206   0.000  1.00  0.00           H  
HETATM   20  C   UNL     1      -1.484  -0.508   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.659  -0.508   0.000  1.00  0.00           C  
CONECT    1    2    6   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7                                                      
CONECT    9    7   10                                                 
CONECT   10    9                                                      
CONECT   11    1   12                                                 
CONECT   12   11   13   20   21                                       
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   13                                                 
CONECT   19   17                                                      
CONECT   20   12   21                                                 
CONECT   21   20   12                                                 
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0Q1WV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.424  -0.223   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.599  -0.223   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.187   0.491   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.599   1.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.424   1.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.837   0.491   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.362   0.491   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.537   0.491   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.712   0.491   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.227  -0.176   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.558   0.079   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.558   0.904   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.227   1.159   0.000  1.00  0.00           C  
HETATM   14  F   UNL     1      -1.086   1.226   0.000  1.00  0.00           F  
HETATM   15  C   UNL     1       1.225  -0.406   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       1.139  -1.226   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1       1.979  -0.070   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.693  -0.483   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.408  -0.070   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.122  -0.483   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.837  -0.070   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   13   14                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12    9                                                 
CONECT   14    9                                                      
CONECT   15   11   16   17                                            
CONECT   16   15                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0Q1XF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       6.754   3.554   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       5.992   3.237   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       5.337   3.738   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       4.575   3.422   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       3.920   3.923   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       3.158   3.607   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.503   4.108   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.741   3.792   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       3.051   2.789   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.290   2.472   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.707   2.287   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.945   1.970   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       2.610   4.926   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       5.444   4.556   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       4.468   2.604   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -6.754  -3.526   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -6.039  -3.114   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -5.325  -3.526   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.611  -3.114   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.896  -3.526   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.182  -3.114   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.467  -3.526   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.753  -3.114   0.000  1.00  0.00           N  
HETATM   24  O   UNL     1      -2.467  -4.351   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.325  -4.351   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.611  -2.289   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.182  -2.289   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.769  -1.575   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.944  -1.575   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.532  -0.860   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.944  -0.145   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.769  -0.145   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.182  -0.860   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.999  -3.450   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.447  -2.836   0.000  1.00  0.00           C  
HETATM   36 SI   UNL     1      -0.859  -2.122   0.000  1.00  0.00          Si  
HETATM   37  C   UNL     1      -1.666  -2.293   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.999  -4.274   0.000  1.00  0.00           C  
HETATM   39  O   UNL     1      -1.713  -4.687   0.000  1.00  0.00           O  
HETATM   40  N   UNL     1      -0.284  -4.687   0.000  1.00  0.00           N  
HETATM   41  C   UNL     1      -0.284  -5.512   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.999  -5.925   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1      -0.999  -6.750   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.284  -7.162   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1       0.430  -6.750   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1       0.430  -5.925   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1       1.145  -7.162   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1       1.859  -6.750   0.000  1.00  0.00           C  
HETATM   49  C   UNL     1       1.859  -5.925   0.000  1.00  0.00           C  
HETATM   50  C   UNL     1       1.145  -5.512   0.000  1.00  0.00           C  
HETATM   51  C   UNL     1      -1.073  -1.325   0.000  1.00  0.00           C  
HETATM   52  C   UNL     1      -0.062  -1.908   0.000  1.00  0.00           C  
HETATM   53  C   UNL     1       1.037   4.222   0.000  1.00  0.00           C  
HETATM   54  C   UNL     1       0.411   3.685   0.000  1.00  0.00           C  
HETATM   55  C   UNL     1       0.727   2.923   0.000  1.00  0.00           C  
HETATM   56  C   UNL     1       1.550   2.989   0.000  1.00  0.00           C  
HETATM   57  N   UNL     1       0.315   2.209   0.000  1.00  0.00           N  
HETATM   58  C   UNL     1      -0.510   2.209   0.000  1.00  0.00           C  
HETATM   59  O   UNL     1      -0.923   2.923   0.000  1.00  0.00           O  
HETATM   60  C   UNL     1      -0.923   1.494   0.000  1.00  0.00           C  
HETATM   61  C   UNL     1      -1.464   0.608   0.000  1.00  0.00           C  
HETATM   62  C   UNL     1       0.824   5.019   0.000  1.00  0.00           C  
HETATM   63  O   UNL     1       1.538   5.431   0.000  1.00  0.00           O  
HETATM   64  N   UNL     1      -0.001   5.019   0.000  1.00  0.00           N  
HETATM   65  C   UNL     1      -0.414   5.733   0.000  1.00  0.00           C  
HETATM   66  C   UNL     1      -0.001   6.447   0.000  1.00  0.00           C  
HETATM   67  C   UNL     1      -0.414   7.162   0.000  1.00  0.00           C  
HETATM   68  C   UNL     1      -1.239   7.162   0.000  1.00  0.00           C  
HETATM   69  C   UNL     1      -1.651   6.447   0.000  1.00  0.00           C  
HETATM   70  C   UNL     1      -1.239   5.733   0.000  1.00  0.00           C  
HETATM   71  C   UNL     1      -2.476   6.447   0.000  1.00  0.00           C  
HETATM   72  C   UNL     1      -2.889   5.733   0.000  1.00  0.00           C  
HETATM   73  C   UNL     1      -2.476   5.019   0.000  1.00  0.00           C  
HETATM   74  C   UNL     1      -1.651   5.019   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4   14                                            
CONECT    4    3    5   15                                            
CONECT    5    4    6                                                 
CONECT    6    5    7    9                                            
CONECT    7    6    8   13                                            
CONECT    8    7   53   56                                            
CONECT    9    6   10   11   12                                       
CONECT   10    9                                                      
CONECT   11    9                                                      
CONECT   12    9                                                      
CONECT   13    7                                                      
CONECT   14    3                                                      
CONECT   15    4                                                      
CONECT   16   17                                                      
CONECT   17   16   18                                                 
CONECT   18   17   19   25                                            
CONECT   19   18   20   26                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   27                                            
CONECT   22   21   23   24                                            
CONECT   23   22   34   37                                            
CONECT   24   22                                                      
CONECT   25   18                                                      
CONECT   26   19                                                      
CONECT   27   21   28                                                 
CONECT   28   27   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   61                                            
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34   23   35   38                                            
CONECT   35   34   36                                                 
CONECT   36   35   37   51   52                                       
CONECT   37   36   23                                                 
CONECT   38   34   39   40                                            
CONECT   39   38                                                      
CONECT   40   38   41                                                 
CONECT   41   40   42   46                                            
CONECT   42   41   43                                                 
CONECT   43   42   44                                                 
CONECT   44   43   45                                                 
CONECT   45   44   46   47                                            
CONECT   46   45   41   50                                            
CONECT   47   45   48                                                 
CONECT   48   47   49                                                 
CONECT   49   48   50                                                 
CONECT   50   49   46                                                 
CONECT   51   36                                                      
CONECT   52   36                                                      
CONECT   53    8   54   62                                            
CONECT   54   53   55                                                 
CONECT   55   54   56   57                                            
CONECT   56   55    8                                                 
CONECT   57   55   58                                                 
CONECT   58   57   59   60                                            
CONECT   59   58                                                      
CONECT   60   58   61                                                 
CONECT   61   60   31                                                 
CONECT   62   53   63   64                                            
CONECT   63   62                                                      
CONECT   64   62   65                                                 
CONECT   65   64   66   70                                            
CONECT   66   65   67                                                 
CONECT   67   66   68                                                 
CONECT   68   67   69                                                 
CONECT   69   68   70   71                                            
CONECT   70   69   65   74                                            
CONECT   71   69   72                                                 
CONECT   72   71   73                                                 
CONECT   73   72   74                                                 
CONECT   74   73   70                                                 
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
M  END

$$$$
D0Q2FC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.457  -0.153   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.457  -0.975   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.745  -1.386   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.033  -0.975   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.033  -0.153   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.745   0.258   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.321   0.258   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.430  -0.076   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.980   0.535   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.569   1.247   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.235   1.076   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.798   0.449   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.281   1.114   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.132  -0.302   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.950  -0.388   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.433   0.277   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.099   1.028   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.284  -1.139   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.937   1.982   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.569   2.728   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.235   2.923   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.886   2.420   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.886   1.598   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.582   1.693   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.169  -1.386   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.745  -2.208   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.169  -2.208   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.582  -2.923   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.757  -2.923   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.600   2.832   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       2.701  -1.723   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   25                                            
CONECT    3    2    4   26                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11   19                                            
CONECT   11   10    7   23                                            
CONECT   12    9   13   14                                            
CONECT   13   12   17                                                 
CONECT   14   12   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   13   24                                            
CONECT   18   15   31                                                 
CONECT   19   10   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   30                                            
CONECT   23   22   11                                                 
CONECT   24   17                                                      
CONECT   25    2   27                                                 
CONECT   26    3                                                      
CONECT   27   25   28   29                                            
CONECT   28   27   29                                                 
CONECT   29   28   27                                                 
CONECT   30   22                                                      
CONECT   31   18                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0Q2SE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.109   0.904   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.745   0.378   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.441  -0.389   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.618  -0.337   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.412   0.462   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.156  -0.801   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.156  -1.626   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.870  -0.389   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.585  -0.801   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.338  -0.466   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.890  -1.079   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -4.478  -1.793   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1      -3.671  -1.622   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -5.711  -0.993   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.097  -0.750   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.097  -1.575   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1       0.811  -0.337   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.526  -0.750   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.240  -0.337   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.954  -0.750   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.669  -0.337   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.669   0.488   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.954   0.900   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.240   0.488   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.383   0.900   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       5.098   0.488   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       5.711   1.040   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       5.375   1.793   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       4.555   1.707   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.161   1.727   0.000  1.00  0.00           O  
CONECT    1    2    5   30                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5   15                                            
CONECT    5    4    1                                                 
CONECT    6    3    7    8                                            
CONECT    7    6                                                      
CONECT    8    6    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    9                                                 
CONECT   14   11                                                      
CONECT   15    4   16   17                                            
CONECT   16   15                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   25                                                 
CONECT   30    1                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0Q3SU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.144   3.658   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.144   2.833   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429   2.421   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715   2.833   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715   3.658   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429   4.071   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.429   1.595   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.715   1.183   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.000   1.595   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.715   0.358   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -1.429  -0.054   0.000  1.00  0.00           O  
HETATM   12  F   UNL     1      -1.429   4.896   0.000  1.00  0.00           F  
HETATM   13 CL   UNL     1      -2.858   4.071   0.000  1.00  0.00          Cl  
HETATM   14  C   UNL     1       0.714   1.183   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.429   1.595   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.429   2.421   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.714   2.833   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.000   2.421   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.886   0.376   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.706   0.290   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.042   1.044   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1       2.289  -0.294   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.076  -1.091   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.659  -1.674   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.446  -2.471   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       1.731  -2.883   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.144  -3.598   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.858  -3.185   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       1.731  -4.312   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       2.315  -4.896   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       0.714   3.658   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       2.143   2.833   0.000  1.00  0.00           F  
CONECT    1    2    6   13                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   12                                            
CONECT    7    3    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8   14   18                                            
CONECT   10    8   11                                                 
CONECT   11   10                                                      
CONECT   12    6                                                      
CONECT   13    1                                                      
CONECT   14    9   15   19                                            
CONECT   15   14   16   21                                            
CONECT   16   15   17   32                                            
CONECT   17   16   18   31                                            
CONECT   18   17    9                                                 
CONECT   19   14   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   15                                                 
CONECT   22   20   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   25                                                 
CONECT   29   27   30                                                 
CONECT   30   29                                                      
CONECT   31   17                                                      
CONECT   32   16                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0Q3VZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.171   0.290   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.968   0.077   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.011  -0.747   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.241  -1.043   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.278  -0.402   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.075  -0.615   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.789  -0.203   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.614  -0.203   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.027   0.512   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.614   1.226   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.789   1.226   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.377   0.512   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       3.834   0.683   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       3.920   1.504   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       3.166   1.839   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1      -0.028  -1.839   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1      -1.609   0.596   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.380   0.300   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.021   0.820   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.791   0.524   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.920  -0.291   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.279  -0.810   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.509  -0.514   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3   17                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    1    6                                            
CONECT    6    5    7                                                 
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    9   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    4                                                      
CONECT   17    2   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0Q4QB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.501  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.786  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.786   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.501   0.825   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.072   0.825   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.357   0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.357  -0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.357  -0.825   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.072  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.072   0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.357   0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.786  -0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.501  -0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.215  -0.825   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.799  -1.408   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       3.930  -0.412   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.930   0.825   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1       0.357   1.650   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1       1.786  -1.650   0.000  1.00  0.00           O  
CONECT    1    2    6   19                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8   20                                            
CONECT   14   11   15   21                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   18                                                 
CONECT   18   16   17                                                 
CONECT   19    1                                                      
CONECT   20   13                                                      
CONECT   21   14                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0Q4ST
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  S   UNL     1      -2.575   0.540   0.000  1.00  0.00           S  
HETATM    2  C   UNL     1      -3.158  -0.044   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.784  -0.779   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.969  -0.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.840   0.165   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.105   0.540   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.521  -0.044   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.299   0.049   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.738   0.747   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.465   1.526   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.314   1.798   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.012   1.359   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.684  -0.681   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.508  -0.681   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.947   0.049   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.562   0.747   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.272  -1.395   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.684  -2.109   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.508  -2.109   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.921  -1.395   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       1.048   2.109   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       2.746  -1.395   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       3.158  -2.109   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    1    6                                            
CONECT    6    5    7   12                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10   16                                            
CONECT   10    9   11   21                                            
CONECT   11   10   12                                                 
CONECT   12   11    6                                                 
CONECT   13    8   14   17                                            
CONECT   14   13   15   20                                            
CONECT   15   14   16                                                 
CONECT   16   15    9                                                 
CONECT   17   13   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   14   22                                            
CONECT   21   10                                                      
CONECT   22   20   23                                                 
CONECT   23   22                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0Q4XE
  -OEChem-09301911152D

 51 54  0     1  0  0  0  0  0999 V2000
   14.7629   -2.2990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6793   -0.5057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2629    0.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.7990    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.0010   -0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6793    1.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2629    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2629    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7629   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7629    1.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7629   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7629    1.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2629    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7629   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7629   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2629   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2629    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2629   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2629    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7629   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905   -0.0933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890   -0.7836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656    1.7740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685    1.7740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685   -1.1759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656   -1.1759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335    1.7740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365    1.7740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8719    1.6931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    0.3241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    0.3241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4529   -1.1039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4529    1.7020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0729   -1.1039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0729    1.7020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1803   -0.7790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8706   -1.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9529    0.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5729   -1.9700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5729    0.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3829   -0.5670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 11  1  0  0  0  0
  2 14  1  0  0  0  0
  3 17  1  0  0  0  0
  3 45  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 17  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 10  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  2  0  0  0  0
 13 38  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 41  1  0  0  0  0
 19 21  2  0  0  0  0
 19 42  1  0  0  0  0
 20 22  2  0  0  0  0
 20 43  1  0  0  0  0
 21 22  1  0  0  0  0
 21 44  1  0  0  0  0
 23 24  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 48  1  0  0  0  0
 27 29  1  0  0  0  0
 27 49  1  0  0  0  0
 28 29  2  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
M  END

$$$$
D0Q5FS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.384   0.414   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.384  -0.411   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.669  -0.823   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.955  -0.411   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.955   0.414   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.669   0.827   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.240  -0.823   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.154  -1.644   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.347  -1.815   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.066  -1.101   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.487  -0.488   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.767  -2.196   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.552  -1.941   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.165  -2.493   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.993  -3.300   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.209  -3.555   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.596  -3.003   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.886  -1.015   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.371  -1.682   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       1.222  -0.261   0.000  1.00  0.00           N  
HETATM   21 CL   UNL     1      -4.098   0.827   0.000  1.00  0.00          Cl  
HETATM   22 CL   UNL     1      -0.811  -3.258   0.000  1.00  0.00          Cl  
HETATM   23  O   UNL     1      -0.201   0.319   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       2.042  -0.175   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.377   0.579   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.198   0.665   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.534   1.419   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.049   2.086   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.228   2.000   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.893   1.246   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.849   1.767   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.625  -0.758   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1      -0.353   2.426   0.000  1.00  0.00           N  
HETATM   34  N   UNL     1      -0.827   3.102   0.000  1.00  0.00           N  
HETATM   35  N   UNL     1      -1.615   2.860   0.000  1.00  0.00           N  
HETATM   36  N   UNL     1      -1.629   2.035   0.000  1.00  0.00           N  
HETATM   37  C   UNL     1      -0.784   0.902   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       3.384   2.840   0.000  1.00  0.00           C  
HETATM   39  F   UNL     1       2.669   3.253   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1       3.796   3.555   0.000  1.00  0.00           F  
HETATM   41  F   UNL     1       4.098   2.428   0.000  1.00  0.00           F  
CONECT    1    2    6   21                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   18                                            
CONECT   11   10    7   23                                            
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   22                                            
CONECT   18   10   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   24                                                 
CONECT   21    1                                                      
CONECT   22   17                                                      
CONECT   23   11   37                                                 
CONECT   24   20   25   32                                            
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   38                                            
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   33   36   37                                            
CONECT   32   24                                                      
CONECT   33   31   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
CONECT   37   23   31                                                 
CONECT   38   28   39   40   41                                       
CONECT   39   38                                                      
CONECT   40   38                                                      
CONECT   41   38                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D0Q5IR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       3.548   0.009   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       3.294  -0.773   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.490  -0.944   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       1.940  -0.333   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.194   0.449   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.998   0.620   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.117  -0.333   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.863   0.449   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.528   0.932   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.567  -0.944   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.237  -0.773   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.491   0.009   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.059   0.620   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.787  -1.384   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.591  -1.213   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.172  -1.794   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.967  -1.581   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.528   1.755   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       2.240   2.166   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1       0.817   2.166   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.533  -2.166   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1      -3.548  -2.163   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9   13                                            
CONECT    9    8    5   18                                            
CONECT   10    7   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15   21                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   22                                                 
CONECT   18    9   19   20                                            
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   14                                                      
CONECT   22   17                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0Q5JV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.715  -1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.715  -2.269   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.000  -2.681   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.286  -2.269   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.286  -1.444   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -5.000  -1.031   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -5.000  -0.206   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -4.286   0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.286   1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.000   1.444   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.715   1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.715   0.206   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -5.000   2.269   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.286   2.681   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.571   2.269   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.857   2.681   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.857   3.506   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.571   3.919   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.286   3.506   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.142   2.269   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.428   2.681   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.428   3.506   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.142   3.919   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.142   4.744   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.713   3.919   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.001   3.506   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.716   3.919   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.716   4.744   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.001   5.156   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.713   4.744   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       1.430   3.506   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       2.145   3.919   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.859   3.506   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       2.145   4.744   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       2.859   2.681   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.574   2.269   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.288   2.681   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       4.288   3.506   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       3.574   3.919   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.000  -3.506   0.000  1.00  0.00           C  
HETATM   41  N   UNL     1      -4.286  -3.919   0.000  1.00  0.00           N  
HETATM   42  O   UNL     1      -5.715  -3.919   0.000  1.00  0.00           O  
HETATM   43  C   UNL     1      -4.286  -4.744   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.571  -5.156   0.000  1.00  0.00           C  
HETATM   45  N   UNL     1      -2.857  -4.744   0.000  1.00  0.00           N  
HETATM   46  C   UNL     1      -2.857  -3.919   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.571  -3.506   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1       5.000   3.919   0.000  1.00  0.00           C  
HETATM   49  F   UNL     1       4.588   4.633   0.000  1.00  0.00           F  
HETATM   50  F   UNL     1       5.715   4.331   0.000  1.00  0.00           F  
HETATM   51  F   UNL     1       5.413   3.204   0.000  1.00  0.00           F  
HETATM   52  C   UNL     1      -1.428   5.156   0.000  1.00  0.00           C  
HETATM   53  C   UNL     1      -2.144  -5.156   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   40                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18   23                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   16   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   17   24                                            
CONECT   24   23                                                      
CONECT   25   22   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25   52                                            
CONECT   31   27   32                                                 
CONECT   32   31   33   34                                            
CONECT   33   32   35   39                                            
CONECT   34   32                                                      
CONECT   35   33   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39   48                                            
CONECT   39   38   33                                                 
CONECT   40    3   41   42                                            
CONECT   41   40   43   47                                            
CONECT   42   40                                                      
CONECT   43   41   44                                                 
CONECT   44   43   45                                                 
CONECT   45   44   46   53                                            
CONECT   46   45   47                                                 
CONECT   47   46   41                                                 
CONECT   48   38   49   50   51                                       
CONECT   49   48                                                      
CONECT   50   48                                                      
CONECT   51   48                                                      
CONECT   52   30                                                      
CONECT   53   45                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
M  END

$$$$
D0Q5YJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.868  -1.321   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.868  -2.146   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.154  -2.559   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.439  -2.146   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.439  -1.321   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.154  -0.909   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.725  -0.909   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.010  -1.321   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.296  -0.909   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.296  -0.084   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.010   0.329   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.725  -0.084   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.419   0.329   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.133  -0.084   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.419   1.154   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.296   1.566   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.133   1.566   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.419   1.979   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.848   1.154   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       1.133   2.391   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.562   1.566   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.316   1.231   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.868   1.844   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.455   2.559   0.000  1.00  0.00           C  
HETATM   25  S   UNL     1       2.649   2.387   0.000  1.00  0.00           S  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   16   17   18                                       
CONECT   16   15                                                      
CONECT   17   15   19   20                                            
CONECT   18   15                                                      
CONECT   19   17   21                                                 
CONECT   20   17                                                      
CONECT   21   19   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0Q6GP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.299   0.595   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.474   0.595   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.061  -0.120   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.474  -0.834   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.299  -0.834   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.711  -0.120   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.764  -0.120   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       1.711   1.309   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       2.536   1.309   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.347   0.464   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1      -2.082   0.089   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.953  -0.726   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.138  -0.855   0.000  1.00  0.00           C  
HETATM   14 BR   UNL     1      -2.536  -1.309   0.000  1.00  0.00          Br  
CONECT    1    2    6    8                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3   13   10                                            
CONECT    8    1    9                                                 
CONECT    9    8                                                      
CONECT   10   11    7                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    7                                                 
CONECT   14   12                                                      
MASTER        0    0    0    0    0    0    0    0   14    0   14    0
END
M  END

$$$$
D0Q6JK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.870   1.097   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.870   0.272   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.156  -0.141   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.441   0.272   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.441   1.097   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.156   1.509   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.727  -0.141   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.727  -0.966   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.012  -1.378   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.298  -0.966   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.298  -0.141   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.012   0.272   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.583  -1.378   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.131  -0.966   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.131  -0.141   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.583   0.272   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.441  -1.378   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.156  -0.966   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.870  -1.378   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.870  -2.203   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.156  -2.616   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.441  -2.203   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       0.846   0.272   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.560  -0.141   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.274   0.272   0.000  1.00  0.00           N  
HETATM   26  O   UNL     1       1.560  -0.966   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       2.989  -0.141   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       3.075  -0.961   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1       3.882  -1.133   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       4.295  -0.418   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       3.743   0.195   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       3.914   1.002   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.699   1.257   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.870   2.064   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.257   2.616   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.473   2.361   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.301   1.554   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9   17                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12   16                                            
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   23                                            
CONECT   16   15   11                                                 
CONECT   17    8   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   15   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   27                                                 
CONECT   26   24                                                      
CONECT   27   25   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   27   32                                            
CONECT   32   31   33   37                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   32                                                 
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END

$$$$

$$$$

$$$$
D0Q6PR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  S   UNL     1      -2.501  -0.206   0.000  1.00  0.00           S  
HETATM    2  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072  -0.206   0.000  1.00  0.00           C  
HETATM    4  S   UNL     1      -0.357   0.206   0.000  1.00  0.00           S  
HETATM    5  S   UNL     1       0.357  -0.206   0.000  1.00  0.00           S  
HETATM    6  C   UNL     1       1.072   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
HETATM    8  S   UNL     1       2.501   0.206   0.000  1.00  0.00           S  
HETATM    9  O   UNL     1       2.088   0.921   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1       2.913   0.921   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1      -2.913  -0.921   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -2.088  -0.921   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -3.215   0.206   0.000  1.00  0.00           O1+
HETATM   14 NA   UNL     1      -3.927  -0.205   0.000  1.00  0.00          Na  
HETATM   15  O   UNL     1       3.215  -0.206   0.000  1.00  0.00           O1+
HETATM   16 NA   UNL     1       3.927   0.205   0.000  1.00  0.00          Na  
CONECT    1   13    2   11   12                                       
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8   15    7    9   10                                       
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11    1                                                      
CONECT   12    1                                                      
CONECT   13   14    1                                                 
CONECT   14   13                                                      
CONECT   15   16    8                                                 
CONECT   16   15                                                      
MASTER        0    0    0    0    0    0    0    0   16    0   16    0
END
M  END

$$$$
D0Q6RC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.061   1.940   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.061   1.115   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.776   0.703   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.490   1.115   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.490   1.940   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.776   2.353   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1       3.204   2.353   0.000  1.00  0.00           F  
HETATM    8  N   UNL     1       1.776  -0.122   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.061  -0.535   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.061  -1.360   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.776  -1.772   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.490  -1.360   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.490  -0.535   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.061  -2.185   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.346  -1.772   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1       1.061  -3.010   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1       2.490  -2.185   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       3.204  -1.772   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.346   0.703   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.368   1.115   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.082   0.703   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.368   1.940   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.836   1.038   0.000  1.00  0.00           C  
HETATM   24  S   UNL     1      -2.388   0.425   0.000  1.00  0.00           S  
HETATM   25  C   UNL     1      -1.976  -0.289   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.169  -0.118   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.311  -1.043   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.118  -1.215   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.204  -2.035   0.000  1.00  0.00           N  
HETATM   30  N   UNL     1      -2.451  -2.371   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -1.899  -1.758   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       1.776   3.178   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1      -2.279  -3.178   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   19                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   32                                            
CONECT    7    5                                                      
CONECT    8    3    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14   17                                       
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15   16                                            
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17   11   18                                                 
CONECT   18   17                                                      
CONECT   19    2   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   23   26                                            
CONECT   22   20                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   21                                                 
CONECT   27   25   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   27                                                 
CONECT   32    6                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END

$$$$

$$$$

$$$$
D0Q7KI
  -OEChem-09301911162D

 28 30  0     0  0  0  0  0  0999 V2000
    3.4030    1.0504    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9473    0.8551    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.9496    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    1.9164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9473   -0.7543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0697   -0.4496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.5504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0697    0.5504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8096   -1.7097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5309    0.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.9496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5309    0.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1186   -0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1186    0.8594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.6704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9271    1.4491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5713   -0.8140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.1704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2245   -2.1704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2032   -1.8386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
  2 11  1  0  0  0  0
  2 15  1  0  0  0  0
  3 17  1  0  0  0  0
  6 12  1  0  0  0  0
  6 15  2  0  0  0  0
  7  9  1  0  0  0  0
  7 19  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 20  2  0  0  0  0
 10 19  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  2  0  0  0  0
 12 16  2  0  0  0  0
 13 14  1  0  0  0  0
 13 17  2  0  0  0  0
 14 21  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 23  1  0  0  0  0
M  END

$$$$
D0Q7NM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.021   1.450   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.687   0.699   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.131   0.785   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.302   1.589   0.000  1.00  0.00           N  
HETATM    5  O   UNL     1      -0.410   2.001   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1      -1.098  -0.013   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.920  -0.013   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.331  -0.725   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -2.331   0.699   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       0.681   0.174   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.427  -0.608   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.977  -1.219   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.781  -1.048   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.035  -0.266   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.485   0.345   0.000  1.00  0.00           C  
HETATM   16 CL   UNL     1       2.331  -1.659   0.000  1.00  0.00          Cl  
HETATM   17 CL   UNL     1       0.723  -2.001   0.000  1.00  0.00          Cl  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4   10                                            
CONECT    4    3    5                                                 
CONECT    5    4    1                                                 
CONECT    6    2    7                                                 
CONECT    7    6    8    9                                            
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    3   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13                                                      
CONECT   17   12                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D0Q7ZF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.780  -1.021   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.780  -0.199   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.068   0.212   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.068   1.035   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.356   1.446   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1      -1.780   1.446   0.000  1.00  0.00           O  
HETATM    7  N   UNL     1       0.376   0.904   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.068   1.446   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       0.767   2.211   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.055   2.211   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.780   1.035   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.780   0.212   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.492  -0.199   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       3.204   0.212   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       3.204   1.035   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.492   1.446   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.492  -1.021   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.708  -1.545   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.068  -1.432   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.677  -2.211   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.376  -2.189   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.913  -1.222   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.492   0.212   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.204  -0.199   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.204  -1.021   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.492  -1.432   0.000  1.00  0.00           C  
CONECT    1    2   19   26                                            
CONECT    2    1    3   23                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    7   10                                            
CONECT    6    4                                                      
CONECT    7    5    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    8   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   13   18                                                 
CONECT   18   17   22                                                 
CONECT   19    1   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   18                                                 
CONECT   23    2   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25    1                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0Q8JK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.061   2.269   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.061   1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.776   1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.490   1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.490   2.269   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.776   2.681   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       3.204   2.681   0.000  1.00  0.00           O  
HETATM    8  N   UNL     1       1.776   0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.061  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.061  -1.031   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.776  -1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.490  -1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.490  -0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.061  -1.856   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.346  -1.444   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1       1.061  -2.681   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1       2.490  -1.856   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       3.204  -1.444   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.346   1.031   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.368   1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.082   1.031   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.368   2.269   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.836   1.367   0.000  1.00  0.00           C  
HETATM   24  S   UNL     1      -2.388   0.754   0.000  1.00  0.00           S  
HETATM   25  C   UNL     1      -1.976   0.039   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.169   0.211   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.311  -0.714   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.118  -0.886   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.204  -1.706   0.000  1.00  0.00           N  
HETATM   30  N   UNL     1      -2.451  -2.042   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -1.899  -1.429   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   19                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    3    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14   17                                       
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15   16                                            
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17   11   18                                                 
CONECT   18   17                                                      
CONECT   19    2   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   23   26                                            
CONECT   22   20                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   21                                                 
CONECT   27   25   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   27                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END

$$$$

$$$$

$$$$
D0Q8JZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.072   1.398   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.072   0.573   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.786   0.161   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.501   0.573   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.501   1.398   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.786   1.811   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.357   1.811   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.357   2.636   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.357   3.048   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.357   3.873   0.000  1.00  0.00           O1-
HETATM   11  O   UNL     1      -1.072   2.636   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       3.215   0.161   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.357   1.398   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.786  -0.664   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       1.072  -1.077   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       0.390  -0.612   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.398  -0.855   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.700  -1.623   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.287  -2.337   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.529  -2.460   0.000  1.00  0.00           C  
HETATM   21  S   UNL     1       1.133  -1.899   0.000  1.00  0.00           S  
HETATM   22  O   UNL     1       1.930  -1.686   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       1.347  -2.696   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.802  -2.982   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.500  -3.751   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.316  -3.873   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.830  -3.228   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.612  -0.058   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.072   1.811   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.786   1.398   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.786   0.573   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.072   0.161   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.357   0.573   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1      -2.501   1.811   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1      -3.215   1.398   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1      -2.399   0.021   0.000  1.00  0.00           N  
HETATM   37  N   UNL     1      -2.064  -0.732   0.000  1.00  0.00           N  
HETATM   38  N   UNL     1      -1.243  -0.646   0.000  1.00  0.00           N  
HETATM   39  C   UNL     1      -3.206   0.193   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   14                                            
CONECT    4    3    5   12                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8   13                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9                                                      
CONECT   11    9                                                      
CONECT   12    4                                                      
CONECT   13    7   29   33                                            
CONECT   14    3   15                                                 
CONECT   15   14   16   21                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   28                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21   27                                            
CONECT   21   20   15   22   23                                       
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24   19   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   20                                                 
CONECT   28   17                                                      
CONECT   29   13   30                                                 
CONECT   30   29   31   34                                            
CONECT   31   30   32   36                                            
CONECT   32   31   33   38                                            
CONECT   33   32   13                                                 
CONECT   34   30   35                                                 
CONECT   35   34                                                      
CONECT   36   31   37   39                                            
CONECT   37   36   38                                                 
CONECT   38   37   32                                                 
CONECT   39   36                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0Q8LH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.786   0.256   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.786  -0.569   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.500  -0.982   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.500  -1.807   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.786  -2.219   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.071  -1.807   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.071  -0.982   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.713  -2.062   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.198  -1.394   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.713  -0.727   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.369   0.839   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.156   1.636   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.739   2.219   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.536   2.006   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.750   1.209   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.166   0.625   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.546   0.995   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.261   1.408   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.976   0.995   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.546   0.170   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       1.126  -0.012   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.946   0.074   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.118   0.881   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1       1.403   1.293   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       0.790   0.741   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.832   1.293   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.546   0.881   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.546   0.056   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.261  -0.357   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.976   0.056   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.976   0.881   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.261   1.293   0.000  1.00  0.00           C  
CONECT    1    2   11                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7    8                                            
CONECT    7    6    2   10                                            
CONECT    8    6    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    7   21                                            
CONECT   11    1   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   11                                                 
CONECT   17   15   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18                                                      
CONECT   20   17                                                      
CONECT   21   10   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0Q8MQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.786   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.501   1.444   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.072  -0.206   0.000  1.00  0.00           N  
HETATM    8  S   UNL     1      -0.357   0.206   0.000  1.00  0.00           S  
HETATM    9  C   UNL     1      -0.357   1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.072   1.444   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.072   2.269   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       0.440   0.420   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.144  -0.591   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.072  -1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.357   1.444   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.072   1.031   0.000  1.00  0.00           N  
HETATM   17  S   UNL     1       0.357   2.269   0.000  1.00  0.00           S  
HETATM   18  C   UNL     1       1.786   1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.501   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.215   1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.215   2.269   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.501   2.681   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.786   2.269   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.501   0.206   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.786  -1.444   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.215  -1.444   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.215  -2.269   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.501  -2.681   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.786  -2.269   0.000  1.00  0.00           C  
HETATM   31 CL   UNL     1      -3.930  -2.681   0.000  1.00  0.00          Cl  
HETATM   32  C   UNL     1       3.215  -0.206   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.930   0.206   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.930   1.031   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   14                                            
CONECT    8    7    9   12   13                                       
CONECT    9    8   10   15                                            
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    8                                                      
CONECT   13    8                                                      
CONECT   14    7   25                                                 
CONECT   15    9   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   19   23                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21   34                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   19   32                                                 
CONECT   25   14   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   28                                                      
CONECT   32   24   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   20                                                 
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0Q8RC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.397  -0.841   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.397  -1.666   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.683  -2.078   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.968  -1.666   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.968  -0.841   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.683  -0.428   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.183  -1.921   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.699  -1.253   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.183  -0.586   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.188  -1.253   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.659  -0.614   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1       0.710  -1.837   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       1.566  -0.614   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.944   0.051   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.528   0.763   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.703   0.759   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.294   0.042   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.105   1.352   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.930   1.360   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       3.755   1.368   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       3.519   0.782   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.336   2.078   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.755  -0.222   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.041  -0.635   0.000  1.00  0.00           C  
CONECT    1    2    6   23                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11   12                                            
CONECT   11   10   13   17                                            
CONECT   12   10                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   11                                                 
CONECT   18   15   19                                                 
CONECT   19   18   20   21   22                                       
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   19                                                      
CONECT   23    1   24                                                 
CONECT   24   23                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0Q8VI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.863   1.732   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.863   0.907   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.078   0.652   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.407   1.320   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.078   1.987   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.577   2.145   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.292   1.732   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.292   0.907   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.577   0.495   0.000  1.00  0.00           N  
HETATM   10  H   UNL     1       1.232   1.320   0.000  1.00  0.00           H  
HETATM   11  H   UNL     1      -1.577   2.970   0.000  1.00  0.00           H  
HETATM   12  H   UNL     1      -3.006   2.145   0.000  1.00  0.00           H  
HETATM   13  C   UNL     1      -3.006   0.495   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.721   0.907   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.435   0.495   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.435  -0.330   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.721  -0.743   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.006  -0.330   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.177  -0.132   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.984  -0.304   0.000  1.00  0.00           N  
HETATM   21  O   UNL     1      -0.375  -0.745   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       1.239  -1.088   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.687  -1.702   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.942  -2.486   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       1.749  -2.658   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       2.301  -2.045   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.046  -1.260   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       3.108  -2.216   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       3.443  -2.970   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.264  -2.884   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.435  -2.077   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.721  -1.664   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.295  -0.743   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1      -2.707  -1.457   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -3.009  -0.330   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1      -1.882  -0.028   0.000  1.00  0.00           F  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   19                                            
CONECT    4    3    5   10                                            
CONECT    5    4    1                                                 
CONECT    6    1    7   11                                            
CONECT    7    6    8   12                                            
CONECT    8    7    9   13                                            
CONECT    9    8    2                                                 
CONECT   10    4                                                      
CONECT   11    6                                                      
CONECT   12    7                                                      
CONECT   13    8   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13   33                                            
CONECT   19    3   20   21                                            
CONECT   20   19   22                                                 
CONECT   21   19                                                      
CONECT   22   20   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   22                                                 
CONECT   28   26   29   32                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   28                                                 
CONECT   33   18   34   35   36                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END

$$$$

$$$$
D0Q9AD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.670   1.778   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.670   0.953   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.956   0.541   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.241   0.953   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.241   1.778   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.956   2.191   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.527   0.541   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.440  -0.280   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.633  -0.451   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.221   0.263   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.773   0.876   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -4.385   2.191   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1      -2.054  -0.832   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.838  -0.577   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.451  -1.129   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.280  -1.936   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.495  -2.191   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.882  -1.639   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -1.097  -1.894   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1      -0.601   1.683   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.600   0.349   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.085  -0.318   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1       0.935   1.103   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       1.909  -0.318   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.322  -1.032   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.147  -1.032   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       3.559  -0.318   0.000  1.00  0.00           N1+
HETATM   28  C   UNL     1       3.147   0.397   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.322   0.397   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       4.385  -0.318   0.000  1.00  0.00           O1-
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   21                                            
CONECT   11   10    7   20                                            
CONECT   12    1                                                      
CONECT   13    8   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13   19                                            
CONECT   19   18                                                      
CONECT   20   11                                                      
CONECT   21   10   22   23                                            
CONECT   22   21   24                                                 
CONECT   23   21                                                      
CONECT   24   22   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0Q9AF
  -OEChem-09301911122D

 35 36  0     0  0  0  0  0  0999 V2000
    6.0010    4.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244   -2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230   -3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5571   -5.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1771   -4.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 12  1  0  0  0  0
  2 32  1  0  0  0  0
  3 16  2  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 21  2  0  0  0  0
  6 11  1  0  0  0  0
  6 13  2  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 13 24  1  0  0  0  0
 14 18  1  0  0  0  0
 14 25  1  0  0  0  0
 15 19  2  0  0  0  0
 15 26  1  0  0  0  0
 17 21  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
 22 33  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
M  END

$$$$
D0Q9LM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.910  -1.062   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.910  -1.887   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.196  -2.299   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.481  -1.887   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.481  -1.062   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.196  -0.649   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.766  -2.299   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.052  -1.887   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.052  -1.062   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.766  -0.649   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.338  -0.649   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.338   0.176   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1       0.377  -1.062   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.330   0.661   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.075   1.446   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.750   1.446   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.005   0.661   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.115   0.406   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.728   0.958   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.512   0.703   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.125   1.255   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.954   2.062   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.169   2.317   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.556   1.765   0.000  1.00  0.00           C  
HETATM   25 CL   UNL     1       1.998   3.124   0.000  1.00  0.00          Cl  
HETATM   26 CL   UNL     1       3.910   1.000   0.000  1.00  0.00          Cl  
HETATM   27 CL   UNL     1      -3.196  -3.124   0.000  1.00  0.00          Cl  
HETATM   28  O   UNL     1      -0.338  -2.299   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   27                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   28                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12   13                                            
CONECT   12   11   14   17                                            
CONECT   13   11                                                      
CONECT   14   12   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   14   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   19                                                 
CONECT   25   23                                                      
CONECT   26   21                                                      
CONECT   27    3                                                      
CONECT   28    8                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0Q9QQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.440  -0.841   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.440  -1.666   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.725  -2.079   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.011  -1.666   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.011  -0.841   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.725  -0.428   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.704  -2.079   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.418  -1.666   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.418  -0.841   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.704  -0.428   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.704   0.397   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.011  -0.016   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.133  -0.428   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.418   0.809   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.418   1.634   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.086   2.119   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.831   2.904   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.006   2.904   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.751   2.119   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       2.870   1.864   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.034   1.864   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.725  -2.904   0.000  1.00  0.00           C  
HETATM   23  H   UNL     1      -0.011  -2.491   0.000  1.00  0.00           H  
HETATM   24  O   UNL     1      -2.154  -1.254   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.156  -2.077   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1      -1.743  -2.792   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1      -2.870  -2.490   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -2.568  -1.363   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   24   25                                       
CONECT    3    2    4   22                                            
CONECT    4    3    5    7   23                                       
CONECT    5    4    6   10   12                                       
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9    5   11                                            
CONECT   11   10   14                                                 
CONECT   12    5                                                      
CONECT   13    9                                                      
CONECT   14   11   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   15   21                                            
CONECT   20   16                                                      
CONECT   21   19                                                      
CONECT   22    3                                                      
CONECT   23    4                                                      
CONECT   24    2                                                      
CONECT   25    2   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0Q9TO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  O   UNL     1      -4.266  -1.115   0.000  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.552  -1.527   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.837  -1.115   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.837  -0.290   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.552   0.123   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.266  -0.290   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -2.123   0.123   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1      -1.409   0.535   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.694   0.123   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.020   0.535   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.735   0.123   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.449   0.535   0.000  1.00  0.00           C  
HETATM   13  S   UNL     1       2.203   0.200   0.000  1.00  0.00           S  
HETATM   14  C   UNL     1       2.755   0.813   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       2.343   1.527   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1       1.536   1.356   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.552   0.599   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       4.135   1.183   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.338  -0.198   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.266   0.187   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       0.020   1.360   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.535   0.837   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.710  -0.592   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.107  -0.592   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.282  -0.592   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   22   23                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   24   25                                       
CONECT   10    9   11   21                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   12                                                 
CONECT   17   14   18   19   20                                       
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20   17                                                      
CONECT   21   10                                                      
CONECT   22    7                                                      
CONECT   23    7                                                      
CONECT   24    9                                                      
CONECT   25    9                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0Q9XK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.300   0.000   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.888  -0.714   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.062  -0.714   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.650   0.000   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.062   0.714   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.888   0.714   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.825   0.000   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.412  -0.714   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.412  -0.714   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.825  -1.429   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.650  -1.429   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.062  -0.714   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.650   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.825   0.000   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.888  -0.714   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.300   0.000   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       3.300  -1.429   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       2.888   0.714   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.412   0.714   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.412   0.714   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1       0.825   1.429   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       0.412   2.143   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.412   2.143   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.825   1.429   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1       0.412  -2.143   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   19                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11   25                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16                                                      
CONECT   19    7   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   10                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0QA4O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.090   0.964   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.090   0.139   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.375  -0.274   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.339   0.139   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.339   0.964   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.375   1.376   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.874   1.219   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.359   0.551   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.874  -0.116   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.054   1.376   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.807   1.041   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.359   1.654   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1       1.947   2.368   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.140   2.197   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.979   0.234   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.527   2.749   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.375  -1.099   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.090  -1.511   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.090  -2.336   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.375  -2.749   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.339  -2.336   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.339  -1.511   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.804  -1.099   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   17                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    5   11   14                                            
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10   16                                            
CONECT   15   11                                                      
CONECT   16   14                                                      
CONECT   17    3   18   22                                            
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   18                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0QA9N
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.136   1.001   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.136   0.178   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.424  -0.233   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.712   0.178   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.712   1.001   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.424   1.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.000  -0.233   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.712   0.178   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.712   1.001   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.000   1.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.424  -0.233   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.136   0.178   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.136   1.001   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.424   1.412   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.424   2.234   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1      -1.424  -1.055   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1       0.301   2.177   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.123   2.177   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.534   2.889   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       1.767  -0.980   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.469  -1.746   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.563  -0.442   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.653  -1.236   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.343  -0.980   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.045  -1.746   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.712  -2.067   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.712  -2.889   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   16                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   15                                            
CONECT    7    4    8   24                                            
CONECT    8    7    9   11   22                                       
CONECT    9    8   10   14                                            
CONECT   10    9    5   17                                            
CONECT   11    8   12   20                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9   18                                            
CONECT   15    6                                                      
CONECT   16    3                                                      
CONECT   17   10   18                                                 
CONECT   18   14   17   19                                            
CONECT   19   18                                                      
CONECT   20   11   21                                                 
CONECT   21   20   23   26                                            
CONECT   22    8   23                                                 
CONECT   23   22   21                                                 
CONECT   24    7   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21   27                                            
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0QA9Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.074   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.074  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.360  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.645  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.645   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.360   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.931   0.825   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.931   1.650   0.000  1.00  0.00           O  
HETATM    9  N   UNL     1      -3.216   0.412   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.502   0.825   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.787   0.412   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1      -2.502   1.650   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.073   0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.358   0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.356   0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.356   1.650   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.358   2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.073   1.650   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.070   2.062   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.070   0.412   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.785   0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.499   0.412   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.785   1.650   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       2.499  -0.412   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.214  -0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.928  -0.412   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.928   0.412   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.214   0.825   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.643  -0.825   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.357  -0.412   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       6.072  -0.825   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       6.072  -1.650   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       6.786  -2.062   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       7.501  -1.650   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       7.501  -0.825   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       6.786  -0.413   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1      -6.789   0.825   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1      -7.501   0.414   0.000  1.00  0.00           C  
HETATM   39  O   UNL     1      -6.789  -0.825   0.000  1.00  0.00           O  
HETATM   40  C   UNL     1      -6.789  -1.647   0.000  1.00  0.00           C  
HETATM   41  O   UNL     1      -5.360  -1.650   0.000  1.00  0.00           O  
HETATM   42  C   UNL     1      -4.648  -2.061   0.000  1.00  0.00           C  
CONECT    1   37    2    6                                            
CONECT    2   39    1    3                                            
CONECT    3   41    2    4                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10   13                                                 
CONECT   12   10                                                      
CONECT   13   11   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16                                                      
CONECT   20   15   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   24   28                                            
CONECT   23   21                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   22                                                 
CONECT   29   26   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
CONECT   37   38    1                                                 
CONECT   38   37                                                      
CONECT   39   40    2                                                 
CONECT   40   39                                                      
CONECT   41   42    3                                                 
CONECT   42   41                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D0QC5O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.421   1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.421   0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.707   0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.992   0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.992   1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.707   1.856   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -4.136   1.856   0.000  1.00  0.00           F  
HETATM    8  F   UNL     1      -1.278   1.856   0.000  1.00  0.00           F  
HETATM    9  N   UNL     1      -1.278   0.206   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.278  -0.619   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.563  -1.031   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.151  -0.619   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.151   0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.563   0.619   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.992  -1.031   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       0.866  -1.031   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       0.866  -1.856   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.580  -0.619   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.295  -1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.009  -0.619   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.009   0.206   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.295   0.619   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.580   0.206   0.000  1.00  0.00           C  
HETATM   24 CL   UNL     1       2.295  -1.856   0.000  1.00  0.00          Cl  
HETATM   25  C   UNL     1       3.723  -1.031   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1       3.311  -1.746   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1       3.009  -0.619   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       4.136  -0.317   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    5                                                      
CONECT    9    4   10   14                                            
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   10                                                      
CONECT   16   12   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19   23                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   19                                                      
CONECT   25   20   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0QC6H
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.937   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.937  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.292  -0.927   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.488  -0.743   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.130   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.488   0.743   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.292   0.927   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.651   0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.366   0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.366  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.651  -0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.476   1.731   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.476  -1.731   0.000  1.00  0.00           O  
HETATM   14 CL   UNL     1      -3.651  -1.650   0.000  1.00  0.00          Cl  
HETATM   15  C   UNL     1      -0.415   0.412   0.000  1.00  0.00           C  
HETATM   16  H   UNL     1      -0.415  -0.412   0.000  1.00  0.00           H  
HETATM   17  C   UNL     1       0.382   0.199   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.595  -0.598   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.392  -0.811   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.975  -0.228   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.762   0.569   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.965   0.782   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.772  -0.442   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.986  -1.238   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.783  -1.452   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       4.366  -0.869   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       4.152  -0.072   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.356   0.142   0.000  1.00  0.00           C  
CONECT    1    2    7    8                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4   13                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   15   16                                       
CONECT    6    5    7                                                 
CONECT    7    6    1   12                                            
CONECT    8    1    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    2   14                                            
CONECT   12    7                                                      
CONECT   13    3                                                      
CONECT   14   11                                                      
CONECT   15    5   17                                                 
CONECT   16    5                                                      
CONECT   17   15   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   20   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0QD5Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.715  -2.269   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.715  -3.094   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.000  -3.506   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.286  -3.094   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.286  -2.269   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -5.000  -1.856   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -5.000  -1.031   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.286  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.286   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.000   0.619   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.715   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.715  -0.619   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -5.000   1.444   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.286   1.856   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.571   1.444   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.857   1.856   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.857   2.681   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.571   3.094   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.286   2.681   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.142   1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.428   1.856   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.428   2.681   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.142   3.094   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.142   3.919   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.713   3.094   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.001   2.681   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.716   3.094   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.716   3.919   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.001   4.331   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.713   3.919   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       1.430   2.681   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       2.145   3.094   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.859   2.681   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       2.145   3.919   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       2.859   1.856   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.574   1.444   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.288   1.856   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       4.288   2.681   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       3.574   3.094   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.000  -4.331   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       5.000   3.094   0.000  1.00  0.00           C  
HETATM   42  F   UNL     1       4.588   3.808   0.000  1.00  0.00           F  
HETATM   43  F   UNL     1       5.715   3.506   0.000  1.00  0.00           F  
HETATM   44  F   UNL     1       5.413   2.379   0.000  1.00  0.00           F  
HETATM   45  C   UNL     1      -1.428   4.331   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   40                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18   23                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   16   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   17   24                                            
CONECT   24   23                                                      
CONECT   25   22   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25   45                                            
CONECT   31   27   32                                                 
CONECT   32   31   33   34                                            
CONECT   33   32   35   39                                            
CONECT   34   32                                                      
CONECT   35   33   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39   41                                            
CONECT   39   38   33                                                 
CONECT   40    3                                                      
CONECT   41   38   42   43   44                                       
CONECT   42   41                                                      
CONECT   43   41                                                      
CONECT   44   41                                                      
CONECT   45   30                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
M  END

$$$$
D0QD6T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.412  -0.262   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.412  -1.087   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.127  -1.499   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.841  -1.087   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.841  -0.262   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.127   0.151   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.302   0.151   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.016  -0.262   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.016  -1.087   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.302  -1.499   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.731  -1.499   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.445  -1.087   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.160  -1.499   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.445  -0.262   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       2.556   0.151   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.270  -0.262   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       3.985   0.151   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       3.985   0.976   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.270   1.389   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.556   0.976   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1       3.270   2.213   0.000  1.00  0.00           F  
HETATM   22  C   UNL     1      -3.985  -1.499   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.572  -2.213   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.841   1.389   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   15                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    2                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   22   23                                            
CONECT   14   12                                                      
CONECT   15    5   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   15   24                                            
CONECT   21   19                                                      
CONECT   22   13   23                                                 
CONECT   23   22   13                                                 
CONECT   24   20                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0QE2H
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.522  -0.326   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.522  -1.151   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.807  -1.563   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.093  -1.151   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.093  -0.326   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.807   0.087   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.378  -1.563   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.664  -1.151   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.664  -0.326   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.378   0.087   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.051   0.087   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.765  -0.326   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.378   0.226   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.043   0.980   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1       0.222   0.894   0.000  1.00  0.00           S  
HETATM   16  O   UNL     1       0.765  -1.151   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1       1.626   1.563   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.093  -0.186   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.807   0.226   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       3.522  -0.186   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1       2.807   1.051   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       0.051  -1.563   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    8                                                      
CONECT    8    7    9   22                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12   15                                            
CONECT   12   11   13   16                                            
CONECT   13   12   14   18                                            
CONECT   14   13   15   17                                            
CONECT   15   14   11                                                 
CONECT   16   12                                                      
CONECT   17   14                                                      
CONECT   18   13   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22    8                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0QE8S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -1.444   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.786  -1.856   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.072  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072  -0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786  -0.206   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.786   0.619   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.072   1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.357   0.619   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.357   1.031   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.357   1.856   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.357   2.269   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.072   1.856   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.357  -1.856   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.357  -2.681   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       0.357  -1.444   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.072  -1.856   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.215  -1.856   0.000  1.00  0.00           C  
HETATM   19  F   UNL     1      -0.357   3.094   0.000  1.00  0.00           F  
HETATM   20  C   UNL     1       1.072  -2.681   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.786  -3.094   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.501  -2.681   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.501  -1.856   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       1.786  -1.444   0.000  1.00  0.00           N  
HETATM   25  F   UNL     1       3.215  -3.094   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   14                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   19                                            
CONECT   13   12    8                                                 
CONECT   14    4   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17                                                 
CONECT   17   16   20   24                                            
CONECT   18    2                                                      
CONECT   19   12                                                      
CONECT   20   17   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   17                                                 
CONECT   25   22                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0QE9E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.079   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.079   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.364  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.650   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.650   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.364   1.444   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.936  -0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.221   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.221   1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.936   1.444   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.936   2.269   0.000  1.00  0.00           O  
HETATM   12  S   UNL     1       0.493   1.444   0.000  1.00  0.00           S  
HETATM   13  N   UNL     1      -0.936  -1.031   0.000  1.00  0.00           N  
HETATM   14  S   UNL     1      -0.221  -1.444   0.000  1.00  0.00           S  
HETATM   15  O   UNL     1      -0.221  -2.269   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1      -0.221  -0.619   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       0.604  -1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.208   1.031   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.294   0.211   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.101   0.039   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.514   0.754   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1       1.962   1.367   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.016  -2.158   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.841  -2.158   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.254  -1.444   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.841  -0.729   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.016  -0.729   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.079  -1.444   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   13                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    9   18                                                 
CONECT   13    7   14                                                 
CONECT   14   13   15   16   17                                       
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17   14   23   27                                            
CONECT   18   12   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   18                                                 
CONECT   23   17   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   17                                                 
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0QE9Q
  -OEChem-09301911222D

 52 55  0     1  0  0  0  0  0999 V2000
    6.4103    0.5811    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1142    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.4802    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    1.2518    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2946   -0.5822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.3858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.8858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939    1.3858    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    8.9418   -1.1174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    2.1905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5817    0.5768    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5328    0.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5328    1.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5817    2.1948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2727   -0.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939    1.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6328   -2.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019   -2.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9929   -3.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2801   -2.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6621   -4.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9492   -3.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6402   -4.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9694    0.4798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6617    0.2794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1494    0.9506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1494    1.8210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6617    2.4923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8339    2.7612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0448    2.5048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5483   -0.9885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0854   -1.7774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2511   -2.5570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    2.4935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.8032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766    3.2782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781    3.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3865   -3.8916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4717   -2.0140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4705   -5.0955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5557   -3.2179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0551   -4.7586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.5058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 20  1  0  0  0  0
  2 26  1  0  0  0  0
  3 26  1  0  0  0  0
  4 26  1  0  0  0  0
  5 17  2  0  0  0  0
  6 22  2  0  0  0  0
  7 27  1  0  0  0  0
  7 52  1  0  0  0  0
  8 13  1  0  0  0  0
  8 16  1  0  0  0  0
  8 18  1  0  0  0  0
  9 17  1  0  0  0  0
  9 21  1  0  0  0  0
  9 40  1  0  0  0  0
 10 18  2  0  0  0  0
 10 19  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 20  1  0  0  0  0
 12 23  2  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  6  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 19 20  2  0  0  0  0
 19 22  1  0  0  0  0
 21 25  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 28  2  0  0  0  0
 25 29  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 28 30  1  0  0  0  0
 28 47  1  0  0  0  0
 29 31  2  0  0  0  0
 29 48  1  0  0  0  0
 30 32  2  0  0  0  0
 30 49  1  0  0  0  0
 31 32  1  0  0  0  0
 31 50  1  0  0  0  0
 32 51  1  0  0  0  0
M  END

$$$$
D0QF0Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.300  -0.633   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.888  -1.347   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.062  -1.347   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.650  -0.633   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.062   0.082   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.888   0.082   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.825  -0.633   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.412   0.082   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.412  -1.347   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.412  -1.347   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.825  -2.062   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.650  -2.062   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.062  -1.347   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.650  -0.633   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.825  -0.633   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.888  -1.347   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.300  -2.062   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       3.300  -0.633   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       2.888   0.082   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       0.408   0.168   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.580   0.975   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.135   1.388   0.000  1.00  0.00           N  
HETATM   23  S   UNL     1      -0.748   0.835   0.000  1.00  0.00           S  
HETATM   24  C   UNL     1       1.333   1.311   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1       1.668   0.560   0.000  1.00  0.00           F  
HETATM   26  F   UNL     1       2.084   1.645   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1       0.999   2.062   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   20   23                                            
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18                                                      
CONECT   20    8   21                                                 
CONECT   21   24   20   22                                            
CONECT   22   21   23                                                 
CONECT   23   22    8                                                 
CONECT   24   25   26   27   21                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0QF4V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.281   2.221   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.887   1.496   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.062   1.476   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.632   2.180   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.027   2.905   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.852   2.925   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.597   3.609   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.807   2.160   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.377   2.864   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1      -0.412   1.436   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.412   1.416   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.807   0.691   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.632   0.671   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.062   1.375   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.667   2.100   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.842   2.120   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.097   2.804   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       2.922   2.784   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       1.702   3.528   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       3.317   2.059   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.317   0.792   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.922   0.068   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.276  -0.677   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.676  -1.244   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.952  -0.849   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.103  -0.038   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.206  -1.203   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -1.012  -2.005   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.610  -2.574   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.416  -3.376   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.625  -3.609   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.027  -3.040   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.221  -2.238   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       0.764  -3.273   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1       1.362  -2.704   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1       1.168  -1.902   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       0.376  -1.669   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   21                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    4    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   11                                                 
CONECT   17   15   18   19                                            
CONECT   18   17   20                                                 
CONECT   19   17                                                      
CONECT   20   18                                                      
CONECT   21    2   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   22                                                 
CONECT   27   25   28                                                 
CONECT   28   27   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   34                                            
CONECT   33   32   28   37                                            
CONECT   34   32   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   33                                                 
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0QG9P
  -OEChem-09301911222D

 58 60  0     1  0  0  0  0  0999 V2000
    2.0000   -3.3100    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -6.3100    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    5.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -5.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    5.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    3.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5263    5.1900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6603    5.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    4.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588    6.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617    6.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7383    3.6074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1369    4.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -3.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -3.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573    5.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181   -0.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196   -0.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -5.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3 15  1  0  0  0  0
  3 52  1  0  0  0  0
  4 21  2  0  0  0  0
  5 27  1  0  0  0  0
  5 57  1  0  0  0  0
  6 27  2  0  0  0  0
  7 35  1  0  0  0  0
  7 58  1  0  0  0  0
  8 32  2  0  0  0  0
  9 16  1  0  0  0  0
  9 20  1  0  0  0  0
  9 44  1  0  0  0  0
 14 10  1  1  0  0  0
 10 21  1  0  0  0  0
 10 45  1  0  0  0  0
 11 17  1  0  0  0  0
 11 20  2  0  0  0  0
 12 20  1  0  0  0  0
 12 24  1  0  0  0  0
 12 46  1  0  0  0  0
 13 25  1  0  0  0  0
 13 32  1  0  0  0  0
 13 53  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 27  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 21 25  1  0  0  0  0
 22 30  1  0  0  0  0
 22 47  1  0  0  0  0
 23 29  2  0  0  0  0
 23 48  1  0  0  0  0
 24 28  1  0  0  0  0
 24 31  2  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 26 28  2  0  0  0  0
 26 32  1  0  0  0  0
 26 33  1  0  0  0  0
 28 51  1  0  0  0  0
 29 34  1  0  0  0  0
 30 34  2  0  0  0  0
 31 35  1  0  0  0  0
 31 54  1  0  0  0  0
 33 35  2  0  0  0  0
 33 55  1  0  0  0  0
 34 56  1  0  0  0  0
M  END

$$$$
D0QH1J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.357  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.357  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.072  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.786  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.786  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.072  -0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.501  -0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.357  -2.062   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.072  -1.650   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.786  -2.062   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.786  -2.888   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.072  -3.300   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.357  -2.888   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.501  -3.300   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.215  -2.888   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.215  -2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.930  -1.650   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.644  -2.062   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.644  -2.888   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.930  -3.300   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.501  -2.062   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.501  -2.888   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.215  -1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.930  -2.062   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.786  -3.300   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.786  -4.125   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       2.501  -4.537   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       3.215  -4.125   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.215  -3.300   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.072   0.412   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       1.786   0.825   0.000  1.00  0.00           N  
HETATM   32  O   UNL     1       0.357   0.825   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       1.786   1.650   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.501   2.062   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.215   1.650   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1       3.930   2.062   0.000  1.00  0.00           N  
HETATM   37  C   UNL     1       3.930   2.888   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       3.215   3.300   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       2.501   2.888   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       4.644   3.300   0.000  1.00  0.00           C  
HETATM   41  O   UNL     1       3.215   0.825   0.000  1.00  0.00           O  
HETATM   42  C   UNL     1       3.215   4.125   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       2.501   4.537   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       1.786   4.125   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1       1.786   3.300   0.000  1.00  0.00           C  
HETATM   46  F   UNL     1       1.072   2.888   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   21                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1   30                                            
CONECT    7    5                                                      
CONECT    8    2    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21    4   22   23                                            
CONECT   22   21   25   29                                            
CONECT   23   21   24                                                 
CONECT   24   23                                                      
CONECT   25   22   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   22                                                 
CONECT   30    6   31   32                                            
CONECT   31   30   33                                                 
CONECT   32   30                                                      
CONECT   33   31   34                                                 
CONECT   34   33   35   39                                            
CONECT   35   34   36   41                                            
CONECT   36   35   37                                                 
CONECT   37   36   38   40                                            
CONECT   38   37   39   42                                            
CONECT   39   38   34   45                                            
CONECT   40   37                                                      
CONECT   41   35                                                      
CONECT   42   38   43                                                 
CONECT   43   42   44                                                 
CONECT   44   43   45                                                 
CONECT   45   44   39   46                                            
CONECT   46   45                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
M  END

$$$$
D0QH5I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.047   1.927   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.047   1.102   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.333   0.689   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.618   1.102   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.618   1.927   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.333   2.339   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.904   0.689   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.817  -0.131   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -1.010  -0.303   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.598   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.150   1.025   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.430  -0.683   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.215  -0.428   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.828  -0.980   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.657  -1.787   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.872  -2.042   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.259  -1.490   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.223   0.498   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.708  -0.169   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       0.558   1.252   0.000  1.00  0.00           O  
HETATM   21 CL   UNL     1      -4.270  -2.339   0.000  1.00  0.00          Cl  
HETATM   22 CL   UNL     1      -1.474  -1.745   0.000  1.00  0.00          Cl  
HETATM   23 CL   UNL     1      -4.761   2.339   0.000  1.00  0.00          Cl  
HETATM   24  C   UNL     1       1.532  -0.169   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.945  -0.884   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.770  -0.884   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       3.183  -0.169   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1       3.333  -1.033   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       4.761  -1.033   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.047  -1.446   0.000  1.00  0.00           C  
CONECT    1    2    6   23                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    8   11    4                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   18                                            
CONECT   11   10    7                                                 
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   21                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   22                                            
CONECT   18   10   19   20                                            
CONECT   19   18   24                                                 
CONECT   20   18                                                      
CONECT   21   15                                                      
CONECT   22   17                                                      
CONECT   23    1                                                      
CONECT   24   19   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26                                                      
CONECT   28   26   30                                                 
CONECT   29   30                                                      
CONECT   30   28   29                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0QH9W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.878  -3.968   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.465  -4.682   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.640  -4.682   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.228  -3.968   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.640  -3.253   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.465  -3.253   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.228  -5.397   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.640  -6.111   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.228  -2.539   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.878  -2.539   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.465  -1.824   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.878  -1.110   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.465  -0.395   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.703  -1.110   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.640  -0.395   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.385   0.389   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1      -1.053   0.874   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.720   0.389   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.053   1.699   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.338   2.112   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.376   1.699   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.091   2.112   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.091   2.937   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.376   3.349   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.338   2.937   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.805   3.349   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       1.805   4.174   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       2.473   4.659   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.218   5.444   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.393   5.444   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       1.138   4.659   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       2.703   6.111   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    3    8                                                 
CONECT    8    7                                                      
CONECT    9    5                                                      
CONECT   10    6   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   15   18                                            
CONECT   14   12                                                      
CONECT   15   13   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   13                                                 
CONECT   19   17   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   27                                                 
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END

$$$$

$$$$

$$$$
D0QI0J
  -OEChem-09301911222D

 33 34  0     0  0  0  0  0  0999 V2000
    6.0010    1.6550    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.6550    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244   -2.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230   -3.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    5.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    4.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -4.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 20  1  0  0  0  0
  3 11  1  0  0  0  0
  3 14  1  0  0  0  0
  4 12  1  0  0  0  0
  4 32  1  0  0  0  0
  5 15  2  0  0  0  0
  6 23  1  0  0  0  0
  6 33  1  0  0  0  0
  7 23  2  0  0  0  0
  8 15  1  0  0  0  0
  8 19  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  2  0  0  0  0
 10 12  2  0  0  0  0
 10 15  1  0  0  0  0
 11 13  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 24  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 25  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 18 27  1  0  0  0  0
 19 23  1  0  0  0  0
 19 28  1  0  0  0  0
 19 29  1  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 21 30  1  0  0  0  0
 22 31  1  0  0  0  0
M  END

$$$$
D0QI8G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.088   0.734   0.000  1.00  0.00           N  
HETATM    2  N   UNL     1      -2.088  -0.091   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.374  -0.504   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.659  -0.091   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.659   0.734   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.374   1.146   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.046   1.286   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.382   2.039   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.202   1.953   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.374  -1.329   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.659  -1.741   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.055  -1.329   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.055  -0.504   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.754   2.566   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.761   1.114   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.096   0.361   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.917   0.447   0.000  1.00  0.00           N  
HETATM   18  N   UNL     1       2.088   1.254   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.374   1.666   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.288   2.487   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.684  -0.354   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       0.770  -1.741   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       0.770  -2.566   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.088  -1.741   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.088  -2.566   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   10                                            
CONECT    4    3    5   13                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1    9                                            
CONECT    7    5    8   15                                            
CONECT    8    7    9                                                 
CONECT    9    8    6   14                                            
CONECT   10    3   11   24                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   22                                            
CONECT   13   12    4                                                 
CONECT   14    9                                                      
CONECT   15    7   16   19                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   15   20                                            
CONECT   20   19                                                      
CONECT   21   16                                                      
CONECT   22   12   23                                                 
CONECT   23   22                                                      
CONECT   24   10   25                                                 
CONECT   25   24                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0QJ5H
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.408  -0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.408  -1.238   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.694  -1.650   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.979  -1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.979  -0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.694   0.000   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.193  -0.158   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.678  -0.825   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.193  -1.492   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.448   0.627   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.255   0.799   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -4.807   0.185   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -5.614   0.357   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.166  -0.256   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -5.869   1.142   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1      -0.265   0.000   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       0.450  -0.412   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.164   0.000   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       0.450  -1.238   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       1.879  -0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.593   0.000   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.308  -0.412   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       4.022   0.000   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.737  -0.412   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.451   0.000   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       5.451   0.825   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       4.737   1.238   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.022   0.825   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.737  -1.238   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.451  -1.650   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       6.166  -1.238   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       6.166  -0.412   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.737   2.062   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.022   2.475   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.308   2.062   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.308   1.238   0.000  1.00  0.00           C  
HETATM   37 CL   UNL     1       5.451  -2.475   0.000  1.00  0.00          Cl  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   16                                            
CONECT    6    5    1                                                 
CONECT    7    1    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    7   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16    5   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   20                                                 
CONECT   19   17                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25   29                                            
CONECT   25   24   26   32                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   33                                            
CONECT   28   27   23   36                                            
CONECT   29   24   30                                                 
CONECT   30   29   31   37                                            
CONECT   31   30   32                                                 
CONECT   32   31   25                                                 
CONECT   33   27   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   28                                                 
CONECT   37   30                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0QK6D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.162   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.162  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.448  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.733  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.733   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.448   0.825   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.448   1.650   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.733   2.062   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.019   1.650   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.304   2.062   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.304   2.888   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.019   3.300   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.733   2.888   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1       0.410   1.650   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.496   0.830   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.303   0.658   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.716   1.373   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.164   1.986   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.056   0.216   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.199  -0.568   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.006  -0.740   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.558  -0.127   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.365  -0.298   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.448  -1.650   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.162  -2.062   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1      -1.733  -2.062   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.733  -2.888   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.019  -3.300   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -0.304  -2.888   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -0.304  -2.062   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.019  -1.650   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.480  -3.142   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       0.965  -2.475   0.000  1.00  0.00           N  
HETATM   34  N   UNL     1       0.480  -1.808   0.000  1.00  0.00           N  
HETATM   35  F   UNL     1       2.917   0.315   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1       3.162  -0.512   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1       2.579  -1.095   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   24                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15   18                                            
CONECT   15   14   16   19                                            
CONECT   16   15   17   22                                            
CONECT   17   16   18                                                 
CONECT   18   17   14                                                 
CONECT   19   15   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   16   23                                            
CONECT   23   22   35   36   37                                       
CONECT   24    3   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31   34                                            
CONECT   31   30   26                                                 
CONECT   32   29   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   30                                                 
CONECT   35   23                                                      
CONECT   36   23                                                      
CONECT   37   23                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0QK7K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.400  -1.588   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.400  -2.410   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.688  -2.821   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.024  -2.410   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.024  -1.588   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.688  -1.177   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.806  -2.664   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.290  -1.999   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.806  -1.334   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       2.112  -1.999   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1       1.137  -0.317   0.000  1.00  0.00           N  
HETATM   12  F   UNL     1      -2.112  -1.177   0.000  1.00  0.00           F  
HETATM   13  N   UNL     1       0.381   0.439   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.413   0.226   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.594   1.233   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.995   0.807   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.789   0.594   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.002  -0.200   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.420  -0.781   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.626  -0.568   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.388   1.446   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.601   2.240   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.019   2.821   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.225   2.608   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.012   1.814   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5   11                                            
CONECT   10    8                                                      
CONECT   11    9   13                                                 
CONECT   12    1                                                      
CONECT   13   11   14   15                                            
CONECT   14   13   16   20                                            
CONECT   15   13   21   25                                            
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   14                                                 
CONECT   21   15   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   15                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0QL7B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.405   0.412   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.405  -0.412   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.690  -0.825   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.024  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.024   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.690   0.825   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.809  -0.667   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.294   0.000   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.809   0.667   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       2.119   0.000   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.690   1.650   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -2.119  -0.825   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.119   0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.690  -1.650   0.000  1.00  0.00           C  
CONECT    1    2    6   13                                            
CONECT    2    1    3   12                                            
CONECT    3    2    4   14                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8                                                      
CONECT   11    6                                                      
CONECT   12    2                                                      
CONECT   13    1                                                      
CONECT   14    3                                                      
MASTER        0    0    0    0    0    0    0    0   14    0   14    0
END
M  END

$$$$
D0QL7J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.596  -2.642   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.596  -3.467   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.882  -3.880   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.167  -3.467   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.167  -2.642   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.882  -2.230   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1       0.617  -3.722   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.102  -3.055   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.617  -2.388   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.053  -1.423   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.874  -1.337   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.209  -2.090   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.501  -0.810   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.319  -0.896   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.655  -0.142   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.042   0.410   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.673  -0.003   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.732  -1.611   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.557  -1.611   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.128   1.230   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.882   1.566   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.539   1.715   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1       1.596   1.153   0.000  1.00  0.00           N  
HETATM   24  O   UNL     1       2.209   1.705   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       1.874   2.459   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.053   2.373   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.209   3.213   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.724   3.880   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.904   3.794   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.568   3.040   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    6   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    1                                                 
CONECT   13   14   17   10                                            
CONECT   14   13   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   13                                                 
CONECT   18   14   19                                                 
CONECT   19   18                                                      
CONECT   20   16   21   22                                            
CONECT   21   20   23   26                                            
CONECT   22   20                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   21   30                                            
CONECT   27   25   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   26                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0QL7X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572   0.205   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572  -0.620   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.858  -1.033   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143  -0.620   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143   0.205   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.858   0.617   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.287   0.617   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.429  -1.033   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.714  -0.620   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.000  -1.033   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.714  -0.620   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.714   0.205   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       1.429  -1.033   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.143  -0.620   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.143   0.205   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.429   0.617   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.714   0.205   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.429   1.442   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.143   1.855   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.858   1.442   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       3.572   1.855   0.000  1.00  0.00           O  
HETATM   22  N   UNL     1       2.858   0.617   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.373   1.438   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -5.180   1.609   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.593   0.895   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -5.040   0.282   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       4.287   1.442   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.373   0.622   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       5.180   0.450   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       5.593   1.165   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.041   1.778   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1      -4.287  -1.033   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.287  -1.855   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.572   0.205   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1       4.284  -0.206   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2   32    1    3                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1   23   26                                            
CONECT    8    4    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11                                                 
CONECT   11   10   13   17                                            
CONECT   12    9                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   11                                                 
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   27                                                 
CONECT   22   34   20                                                 
CONECT   23    7   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25    7                                                 
CONECT   27   21   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   27                                                 
CONECT   32   33    2                                                 
CONECT   33   32                                                      
CONECT   34   35   22                                                 
CONECT   35   34                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0QM0D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.091  -0.748   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.377  -0.336   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.338  -0.748   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.052  -0.336   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.767  -0.748   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       2.481  -0.336   0.000  1.00  0.00           N  
HETATM    7  O   UNL     1      -0.377   0.489   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1       1.767  -1.573   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       3.235  -0.671   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.787  -0.058   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.374   0.656   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.567   0.485   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.647  -1.386   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.454  -1.214   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       4.540  -0.394   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       3.312  -2.139   0.000  1.00  0.00           O  
HETATM   17 CL   UNL     1       3.710   1.410   0.000  1.00  0.00          Cl  
HETATM   18  C   UNL     1       1.052   0.489   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.767   0.902   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.767   1.727   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.052   2.139   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.338   1.727   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.338   0.902   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.806  -0.336   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.520  -0.748   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.520  -1.573   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.806  -1.986   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.091  -1.573   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.235  -0.336   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.321   0.485   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -4.128   0.656   0.000  1.00  0.00           N  
HETATM   32  N   UNL     1      -4.540  -0.058   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1      -3.988  -0.671   0.000  1.00  0.00           C  
CONECT    1    2   24   28                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   18                                            
CONECT    5    4    6    8                                            
CONECT    6    5    9   12                                            
CONECT    7    2                                                      
CONECT    8    5                                                      
CONECT    9    6   10   13                                            
CONECT   10    9   11   15                                            
CONECT   11   10   12   17                                            
CONECT   12   11    6                                                 
CONECT   13    9   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13                                                      
CONECT   17   11                                                      
CONECT   18    4   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24    1   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27    1                                                 
CONECT   29   25   30   33                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   29                                                 
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0QM1D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.471  -1.073   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.646  -1.073   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.233  -0.358   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.646   0.356   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.471   0.356   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.883  -0.358   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.408  -0.358   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.583  -0.358   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.242  -0.358   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.825  -0.942   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.408  -0.358   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.825   0.225   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.233  -0.358   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.646  -1.073   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.471  -1.073   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.883  -0.358   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.471   0.356   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.646   0.356   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1       3.883   1.071   0.000  1.00  0.00          Cl  
HETATM   20  F   UNL     1      -0.074   0.404   0.000  1.00  0.00           F  
HETATM   21  C   UNL     1      -3.883   1.073   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   21                                            
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   12   20                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11    9                                                 
CONECT   13   11   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   13                                                 
CONECT   19   17                                                      
CONECT   20    9                                                      
CONECT   21    5                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0QM1R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.571   1.574   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.234   1.403   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.645   2.115   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.095   2.726   0.000  1.00  0.00           N  
HETATM    5  N   UNL     1      -0.656   2.392   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.368   2.803   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.574   0.728   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.568   0.652   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.170  -1.570   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.882  -1.981   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.594  -1.570   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.594  -0.748   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.882  -0.336   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.170  -0.748   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.356   0.982   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.967   0.432   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.796  -0.372   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.014  -0.626   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.403  -0.076   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.181   1.024   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.963   1.278   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       0.157  -0.060   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1       0.707  -0.671   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.458  -0.336   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       1.372   0.481   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       2.882   0.486   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.306  -1.981   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       4.306  -2.803   0.000  1.00  0.00           O  
HETATM   29  N   UNL     1       5.018  -1.570   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.407  -0.922   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -4.957  -0.311   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -5.018  -1.472   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -3.857  -1.533   0.000  1.00  0.00           F  
CONECT    1    2    5   20                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    1    6                                            
CONECT    6    5                                                      
CONECT    7   15   19   21                                            
CONECT    8    2   22   25                                            
CONECT    9   10   14                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   27                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   26                                            
CONECT   14   13    9   24                                            
CONECT   15    7   16                                                 
CONECT   16   15   17                                                 
CONECT   17   30   16   18                                            
CONECT   18   17   19                                                 
CONECT   19   18    7                                                 
CONECT   20   21    1                                                 
CONECT   21   20    7                                                 
CONECT   22    8   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   14                                            
CONECT   25   24    8                                                 
CONECT   26   13                                                      
CONECT   27   11   28   29                                            
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   31   32   33   17                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0QN7I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.281   0.100   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.281  -0.725   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.567  -1.138   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.852  -0.725   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.852   0.100   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.567   0.512   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.138   0.512   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.423   0.100   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.709   0.512   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.006   0.100   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -0.709   1.337   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.006  -0.725   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.720  -1.138   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.435  -0.725   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.435   0.100   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.720   0.512   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.219  -0.980   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       2.704  -0.313   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.219   0.355   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       2.474  -1.765   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1      -2.138  -1.138   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.110   0.754   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.896   1.551   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.099   1.765   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.516   1.181   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.730   0.384   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.526   0.171   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.631   0.767   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.043   0.053   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.869   0.053   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.281   0.767   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.869   1.482   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.043   1.482   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   21                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   12   16                                            
CONECT   11    9                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16   19                                            
CONECT   16   15   10                                                 
CONECT   17   14   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   15   22   28                                       
CONECT   20   17                                                      
CONECT   21    4                                                      
CONECT   22   19   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   19   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0QN8W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.776   0.474   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.776  -0.351   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.991  -0.606   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.507   0.062   0.000  1.00  0.00           C  
HETATM    5  S   UNL     1      -1.991   0.729   0.000  1.00  0.00           S  
HETATM    6  C   UNL     1      -3.443  -0.836   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.682   0.062   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.269   0.776   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.269  -0.653   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.556  -0.653   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.968  -1.367   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.793  -1.367   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.206  -0.653   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.793   0.062   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.968   0.062   0.000  1.00  0.00           C  
HETATM   16  F   UNL     1       2.206  -2.082   0.000  1.00  0.00           F  
HETATM   17  C   UNL     1       3.031  -0.653   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       3.443  -1.367   0.000  1.00  0.00           O  
HETATM   19  N   UNL     1       3.443   0.062   0.000  1.00  0.00           N  
HETATM   20  O   UNL     1       3.031   0.776   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1       0.551   0.862   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       0.723   1.669   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       0.009   2.082   0.000  1.00  0.00           N  
HETATM   24  S   UNL     1      -0.605   1.530   0.000  1.00  0.00           S  
HETATM   25  C   UNL     1       1.477   2.005   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    1                                                 
CONECT    6    2                                                      
CONECT    7    4    8    9                                            
CONECT    8    7   21   24                                            
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   12                                                      
CONECT   17   13   18   19                                            
CONECT   18   17                                                      
CONECT   19   17   20                                                 
CONECT   20   19                                                      
CONECT   21    8   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23    8                                                 
CONECT   25   22                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0QO1Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.844  -0.580   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.431  -1.294   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.606  -1.294   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.194  -0.580   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.606   0.135   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.431   0.135   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.387  -0.408   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.301   0.412   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.054   0.748   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.586   0.825   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.872   0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.157   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.157   1.650   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.872   2.062   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.586   1.650   0.000  1.00  0.00           C  
HETATM   16 CL   UNL     1      -2.301   2.062   0.000  1.00  0.00          Cl  
HETATM   17  N   UNL     1       0.557   0.412   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.272   0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.986   0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.701   0.825   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.701   1.650   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       1.986   2.062   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       1.272   1.650   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.986  -0.412   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.701  -0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.415  -0.412   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.415   0.412   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       4.129   0.825   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       4.844   0.412   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       2.701  -1.650   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       3.415  -2.062   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.774  -0.960   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   32                                            
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10   16                                            
CONECT   16   15                                                      
CONECT   17   12   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21   27                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   19   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   20   28                                            
CONECT   28   27   29                                                 
CONECT   29   28                                                      
CONECT   30   25   31                                                 
CONECT   31   30                                                      
CONECT   32    7                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0QP4N
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.222   1.087   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.222   0.262   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.507  -0.151   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.207   0.262   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.207   1.087   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.507   1.499   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.936  -0.151   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.651   0.262   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.651   1.087   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.365   1.499   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.080   1.087   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.080   0.262   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.365  -0.151   0.000  1.00  0.00           C  
HETATM   14 CL   UNL     1      -3.365  -0.976   0.000  1.00  0.00          Cl  
HETATM   15 CL   UNL     1      -1.979   1.542   0.000  1.00  0.00          Cl  
HETATM   16  C   UNL     1       0.921  -0.151   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.636   0.262   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       0.921  -0.976   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.350  -0.151   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.350  -0.976   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.065  -1.389   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.779  -0.976   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.779  -0.151   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.065   0.262   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.494  -1.389   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.936  -0.976   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.222  -1.389   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.507  -0.976   0.000  1.00  0.00           N  
HETATM   29  O   UNL     1      -1.222  -2.213   0.000  1.00  0.00           O  
HETATM   30  H   UNL     1       0.207  -1.389   0.000  1.00  0.00           H  
HETATM   31  F   UNL     1       5.208  -1.801   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       4.906  -0.674   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       4.081  -2.103   0.000  1.00  0.00           F  
HETATM   34  C   UNL     1      -4.796   1.499   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1      -4.383   2.213   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1      -4.081   1.087   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -5.208   0.784   0.000  1.00  0.00           F  
CONECT    1    2    6   15                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8   26                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   34                                            
CONECT   12   11   13                                                 
CONECT   13   12    8   14                                            
CONECT   14   13                                                      
CONECT   15    1                                                      
CONECT   16    4   17   18                                            
CONECT   17   16   19                                                 
CONECT   18   16                                                      
CONECT   19   17   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22   31   32   33                                       
CONECT   26    7   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   30                                                 
CONECT   29   27                                                      
CONECT   30   28                                                      
CONECT   31   25                                                      
CONECT   32   25                                                      
CONECT   33   25                                                      
CONECT   34   11   35   36   37                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0QQ3B
  -OEChem-09301911272D

 53 56  0     1  0  0  0  0  0999 V2000
    3.6333   -2.9617    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.6450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8202    2.2617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0400   -2.0482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5468   -3.3684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7197   -2.5550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8076    1.3768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6737    2.8768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6199    2.5721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8076    4.3768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2265   -3.8752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8590   -0.3256    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9416    0.8768    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3590    0.5404    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8371   -0.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0281    1.2836    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4522   -1.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8076    2.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9416    2.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6737    3.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9416    3.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6199    4.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2035    3.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0756    4.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2035    3.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7035    2.5108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7035    4.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7035    2.5108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7035    4.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2035    3.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2491   -0.8074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4616    0.5392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1368    1.1192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9019   -0.7343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4571   -0.1177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5099    1.6738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9382   -0.8924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0215   -1.6851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3446    1.0668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2305    2.4533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4047    2.5668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8125    4.7709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5910   -4.3768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6099   -3.9401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3856    4.9138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5387    4.6868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7656    3.8399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3935    1.9739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3935    4.7798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0135    1.9739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0135    4.7798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8235    3.3768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1 11  1  0  0  0  0
 14  2  1  1  0  0  0
  2 40  1  0  0  0  0
 16  3  1  1  0  0  0
  3 41  1  0  0  0  0
  4 17  1  0  0  0  0
 13  7  1  6  0  0  0
  7 18  1  0  0  0  0
  7 39  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  8 20  1  0  0  0  0
  9 23  2  0  0  0  0
 10 20  1  0  0  0  0
 10 21  2  0  0  0  0
 11 44  1  0  0  0  0
 11 45  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 17  1  6  0  0  0
 12 31  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 32  1  0  0  0  0
 14 16  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  2  0  0  0  0
 19 21  1  0  0  0  0
 19 42  1  0  0  0  0
 20 22  2  0  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 23 25  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 49  1  0  0  0  0
 27 29  2  0  0  0  0
 27 50  1  0  0  0  0
 28 30  2  0  0  0  0
 28 51  1  0  0  0  0
 29 30  1  0  0  0  0
 29 52  1  0  0  0  0
 30 53  1  0  0  0  0
M  END

$$$$
D0QR0E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.919   0.357   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.919  -0.468   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.205  -0.880   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.509  -0.468   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.509   0.357   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.205   0.770   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.205   1.595   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       1.224   0.770   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.634  -0.880   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.224   1.595   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.222  -0.880   0.000  1.00  0.00           C  
HETATM   12  F   UNL     1       0.809  -1.595   0.000  1.00  0.00           F  
HETATM   13  F   UNL     1       0.507  -0.468   0.000  1.00  0.00           F  
HETATM   14  F   UNL     1       1.634  -0.166   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   11                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    5   10                                                 
CONECT    9    2                                                      
CONECT   10    8                                                      
CONECT   11    4   12   13   14                                       
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14   11                                                      
MASTER        0    0    0    0    0    0    0    0   14    0   14    0
END
M  END

$$$$
D0QR0U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.941  -0.988   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.941  -1.813   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.226  -2.226   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.512  -1.813   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.512  -0.988   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.226  -0.576   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.226   0.249   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.512   0.662   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -3.941   0.662   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.655  -0.576   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.655  -2.226   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.226  -3.051   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -1.797  -0.576   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.001  -1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.001  -1.856   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.715  -2.269   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.429  -1.856   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.429  -1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.715  -0.619   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.715   0.206   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       2.429   0.619   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       1.001   0.619   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       0.286  -0.619   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       1.715  -3.094   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1       3.144  -0.619   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       3.144  -2.269   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.858  -1.856   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.858  -1.031   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.001   1.444   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.286   1.856   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.286   2.681   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.428   3.094   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.143   2.681   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.143   1.856   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.428   1.444   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.072  -0.234   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.655  -0.818   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.965  -2.707   0.000  1.00  0.00           C  
CONECT    1    2    6   10                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4   12                                            
CONECT    4    3    5   38                                            
CONECT    5    4    6   13                                            
CONECT    6    5    1    7                                            
CONECT    7    6    8    9                                            
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    1                                                      
CONECT   11    2                                                      
CONECT   12    3                                                      
CONECT   13    5                                                      
CONECT   14   15   19   23                                            
CONECT   15   14   16   38                                            
CONECT   16   15   17   24                                            
CONECT   17   16   18   26                                            
CONECT   18   17   19   25                                            
CONECT   19   18   14   20                                            
CONECT   20   19   21   22                                            
CONECT   21   20                                                      
CONECT   22   20   29                                                 
CONECT   23   14                                                      
CONECT   24   16                                                      
CONECT   25   18   28                                                 
CONECT   26   17   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   25   36   37                                       
CONECT   29   22   30                                                 
CONECT   30   29   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
CONECT   36   28                                                      
CONECT   37   28                                                      
CONECT   38    4   15                                                 
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0QR1I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.296   1.087   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.296   0.262   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.582  -0.151   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.867   0.262   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.867   1.087   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.582   1.499   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.582  -0.976   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.867  -1.389   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.867  -2.213   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.153  -0.976   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.438  -1.389   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1      -2.153  -0.151   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.724  -0.976   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.009  -1.389   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.705  -0.976   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.420  -1.389   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.633  -2.185   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.050  -2.769   0.000  1.00  0.00           O  
HETATM   19  N   UNL     1       2.430  -2.399   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       3.013  -1.815   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.810  -2.029   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       4.024  -2.826   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1       4.394  -1.446   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       5.191  -1.659   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.774  -1.076   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       6.571  -1.289   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       7.154  -0.706   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       6.941   0.091   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       6.144   0.304   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.560  -0.279   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.800  -1.019   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.383  -0.435   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.170   0.362   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       2.373   0.575   0.000  1.00  0.00           O  
HETATM   35  N   UNL     1       3.753   0.945   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1      -3.582  -2.626   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1      -4.296  -2.213   0.000  1.00  0.00           O  
HETATM   38  O   UNL     1      -3.582  -3.451   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1      -5.011  -2.626   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.725  -2.213   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.725  -1.389   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.440  -0.976   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.154  -1.389   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.154  -2.213   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.440  -2.626   0.000  1.00  0.00           C  
HETATM   46  O   UNL     1      -0.009  -2.213   0.000  1.00  0.00           O  
HETATM   47  C   UNL     1       2.033  -0.837   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1       1.697  -0.083   0.000  1.00  0.00           C  
HETATM   49  C   UNL     1       0.877  -0.169   0.000  1.00  0.00           C  
HETATM   50  C   UNL     1       0.537   0.383   0.000  1.00  0.00           C  
HETATM   51  C   UNL     1      -0.286   0.445   0.000  1.00  0.00           C  
HETATM   52  C   UNL     1      -0.847  -0.160   0.000  1.00  0.00           C  
HETATM   53  O   UNL     1      -3.582   2.324   0.000  1.00  0.00           O  
HETATM   54  P   UNL     1      -2.867   2.736   0.000  1.00  0.00           P  
HETATM   55  O   UNL     1      -3.280   3.451   0.000  1.00  0.00           O  
HETATM   56  O   UNL     1      -2.153   3.149   0.000  1.00  0.00           O  
HETATM   57  O   UNL     1      -2.455   2.022   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   53                                            
CONECT    7    3    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8   36                                                 
CONECT   10    8   11   12                                            
CONECT   11   10   13                                                 
CONECT   12   10                                                      
CONECT   13   11   14   52                                            
CONECT   14   13   15   46                                            
CONECT   15   14   16   49                                            
CONECT   16   15   17   47                                            
CONECT   17   16   18   19                                            
CONECT   18   17                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21   31                                            
CONECT   21   20   22   23                                            
CONECT   22   21                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   20   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   35                                            
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36    9   37   38                                            
CONECT   37   36   39                                                 
CONECT   38   36                                                      
CONECT   39   37   40                                                 
CONECT   40   39   41   45                                            
CONECT   41   40   42                                                 
CONECT   42   41   43                                                 
CONECT   43   42   44                                                 
CONECT   44   43   45                                                 
CONECT   45   44   40                                                 
CONECT   46   14                                                      
CONECT   47   16   48                                                 
CONECT   48   47   49                                                 
CONECT   49   48   15   50                                            
CONECT   50   49   51                                                 
CONECT   51   50   52                                                 
CONECT   52   51   13                                                 
CONECT   53    6   54                                                 
CONECT   54   53   55   56   57                                       
CONECT   55   54                                                      
CONECT   56   54                                                      
CONECT   57   54                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
M  END

$$$$
D0QR1Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.696  -0.969   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.696  -1.794   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.982  -2.206   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.267  -1.794   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.267  -0.969   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.982  -0.556   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.982   0.269   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.314   0.754   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.569   1.539   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.394   1.539   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.649   0.754   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.084   2.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.529   0.499   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.084   1.051   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.358  -0.308   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.553  -2.206   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.162  -1.794   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.915  -2.129   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.468  -1.516   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.055  -0.801   0.000  1.00  0.00           C  
HETATM   21  S   UNL     1       0.248  -0.973   0.000  1.00  0.00           S  
HETATM   22  C   UNL     1       1.391  -0.048   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       0.906   0.620   0.000  1.00  0.00           O  
HETATM   24  N   UNL     1       2.211   0.038   0.000  1.00  0.00           N  
HETATM   25  O   UNL     1       2.696  -0.629   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   11                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10   12                                            
CONECT   10    9   11                                                 
CONECT   11   10    7                                                 
CONECT   12    9                                                      
CONECT   13    8   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16    4   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   17                                                 
CONECT   22   20   23   24                                            
CONECT   23   22                                                      
CONECT   24   22   25                                                 
CONECT   25   24                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0QS2B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -0.619   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.072   0.206   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.786   0.619   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.357  -1.031   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.357  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.072  -1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.786  -0.619   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.786   0.206   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.072   0.619   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.357   0.206   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.501  -1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.501  -1.856   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.215  -2.269   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.930  -1.856   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.930  -1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.215  -0.619   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       3.215   0.206   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.215  -1.031   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1      -3.930  -0.619   0.000  1.00  0.00           S  
HETATM   23  O   UNL     1      -3.517   0.096   0.000  1.00  0.00           O  
HETATM   24  N   UNL     1      -4.342  -1.333   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.644  -0.206   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1       4.644  -2.269   0.000  1.00  0.00           F  
HETATM   27  C   UNL     1       3.930   0.619   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.786   1.444   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1      -2.611   1.444   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -1.786   2.269   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -0.961   1.444   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   21                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   28                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   26                                            
CONECT   18   17   19                                                 
CONECT   19   18   14   20                                            
CONECT   20   19   27                                                 
CONECT   21    2   22                                                 
CONECT   22   21   23   24   25                                       
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25   22                                                      
CONECT   26   17                                                      
CONECT   27   20                                                      
CONECT   28    6   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0QT3C
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.181  -1.072   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.356  -1.072   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.057  -0.357   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.356   0.357   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.181   0.357   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.593  -0.357   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.881  -0.357   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.294  -1.072   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.119  -1.072   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.531  -0.357   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.119   0.357   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.294   0.357   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       3.357  -0.357   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       3.769   0.357   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.594   0.357   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       5.006   1.072   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       5.832   1.072   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       4.594   1.786   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       5.391   0.144   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.808  -0.440   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.418  -0.357   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.903   0.310   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.688   0.055   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.688  -0.770   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.903  -1.025   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.402   0.468   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.117   0.055   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.117  -0.770   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.402  -1.182   0.000  1.00  0.00           C  
HETATM   30 CL   UNL     1      -5.832  -1.182   0.000  1.00  0.00          Cl  
HETATM   31  F   UNL     1      -1.593  -1.786   0.000  1.00  0.00           F  
CONECT    1    2    6   31                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   21                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   19   20                                       
CONECT   16   15   17   18                                            
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19   15                                                      
CONECT   20   15                                                      
CONECT   21    6   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25   29                                            
CONECT   25   24   21                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28   24                                                 
CONECT   30   28                                                      
CONECT   31    1                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0QT5B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.011   1.629   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.011   0.804   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.297   0.391   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.583   0.804   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.583   1.629   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.297   2.041   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.726   0.391   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.440  -0.021   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.440   0.804   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.512  -0.406   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.868   0.391   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.868  -0.434   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.154  -0.846   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.561  -0.434   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.561   0.391   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.154   0.804   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.345  -0.689   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.830  -0.021   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.345   0.646   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.655  -0.021   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.068  -0.736   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.732  -1.489   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.345  -2.041   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.060  -1.629   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.888  -0.822   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.440  -0.209   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       4.186   0.576   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   11                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8    9   10                                       
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    7                                                      
CONECT   11    4   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16   19                                            
CONECT   16   15   11                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   15                                                 
CONECT   20   18   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   21   26                                            
CONECT   26   25   27                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0QT8L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.449   0.969   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.449   0.143   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.266  -0.269   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.980   0.143   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.980   0.969   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       0.266   1.381   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1       1.695  -0.269   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.409   0.143   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       3.124  -0.269   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       3.838   0.143   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       4.553  -0.269   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       5.267   0.143   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       5.267   0.969   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.553   1.381   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.838   0.969   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       4.553  -1.094   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       2.409   0.969   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1      -1.163   1.381   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.878   0.969   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.592   1.381   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.307   0.969   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.307   0.143   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.592  -0.269   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.878   0.143   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.021  -0.269   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       3.885  -1.579   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       4.140  -2.364   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.965  -2.364   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.220  -1.579   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.450  -3.031   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.736   0.143   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1      -5.450  -0.269   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1      -5.450  -1.094   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.736  -1.506   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.021  -1.094   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1      -4.736   0.969   0.000  1.00  0.00           N  
HETATM   37 CL   UNL     1      -4.736  -2.332   0.000  1.00  0.00          Cl  
HETATM   38  C   UNL     1       4.551   2.206   0.000  1.00  0.00           C  
HETATM   39  F   UNL     1       3.726   2.206   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1       4.551   3.031   0.000  1.00  0.00           F  
HETATM   41  F   UNL     1       5.376   2.206   0.000  1.00  0.00           F  
CONECT    1    2    6   18                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   17                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   38                                            
CONECT   15   14   10                                                 
CONECT   16   11   26   29                                            
CONECT   17    8                                                      
CONECT   18    1   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22   31   35                                            
CONECT   26   16   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28   16                                                 
CONECT   30   28                                                      
CONECT   31   25   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   37                                            
CONECT   35   34   25                                                 
CONECT   36   31                                                      
CONECT   37   34                                                      
CONECT   38   14   39   40   41                                       
CONECT   39   38                                                      
CONECT   40   38                                                      
CONECT   41   38                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END

$$$$

$$$$

$$$$
D0QU3G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143   0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715   0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429   1.031   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.000   1.031   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.715   0.619   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.429   1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.143   0.619   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.858   1.031   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       3.572   0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.858   1.856   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.858   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.572   0.619   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.572  -0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.858  -0.619   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.715  -0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.429  -0.619   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.429  -1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.143  -1.856   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.858  -1.444   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.858  -0.619   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.143  -0.206   0.000  1.00  0.00           C  
CONECT    1    2    6   14                                            
CONECT    2    1    3   17                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   18                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14    1   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16    2                                                 
CONECT   18    8   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0QU7N
  -OEChem-09301911212D

 65 69  0     1  0  0  0  0  0999 V2000
   11.5923    2.8587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038   -2.6721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -2.6413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923   -0.1413    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   13.3243    1.8587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -1.1413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923   -3.1413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -1.6413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263    1.3587    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5923    1.8587    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.4583    1.3587    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7263    0.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4583    0.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    1.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923   -1.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359   -2.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -1.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263   -1.6413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961   -1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4583   -1.6413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718   -3.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5022   -1.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263   -2.6413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961   -0.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4583   -2.6413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5022    0.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -1.6413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -1.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263    1.9787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1292    2.1687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9953    1.0487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1157    0.4664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5142   -0.2239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6704   -0.2239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0689    0.4664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1702    2.3957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3233    2.1687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5502    1.3218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8613    1.5487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3243    2.4787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0554    3.1687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7296   -1.0454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9502   -3.2472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3460   -2.5554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2608   -0.6923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4637   -0.6953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9953   -1.3313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -3.6452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2722   -3.6422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7857   -1.0903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3898   -1.7821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5094   -2.2959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1893   -2.9513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -0.5213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0604    0.1916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9953   -2.9513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5094    1.0134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.9787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6651    0.1687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  1  0  0  0
  1 47  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 31  2  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 15  1  0  0  0  0
 11  5  1  6  0  0  0
  5 45  1  0  0  0  0
  5 46  1  0  0  0  0
  6 19  1  0  0  0  0
  6 31  1  0  0  0  0
  6 60  1  0  0  0  0
  7 25  2  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 32  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  6  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 11 13  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 19  2  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 20  1  0  0  0  0
 16 48  1  0  0  0  0
 17 22  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 23  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 19 25  1  0  0  0  0
 20 24  2  0  0  0  0
 20 26  1  0  0  0  0
 21 27  2  0  0  0  0
 21 53  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 23 56  1  0  0  0  0
 23 57  1  0  0  0  0
 24 28  1  0  0  0  0
 24 58  1  0  0  0  0
 25 59  1  0  0  0  0
 26 30  2  0  0  0  0
 26 61  1  0  0  0  0
 27 62  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 33  1  0  0  0  0
 30 63  1  0  0  0  0
 31 32  1  0  0  0  0
 32 34  1  0  0  0  0
 33 34  2  0  0  0  0
 33 64  1  0  0  0  0
 34 65  1  0  0  0  0
M  END

$$$$
D0QU9I
  -OEChem-09301911282D

 63 65  0     1  0  0  0  0  0999 V2000
    6.3301   -2.8450    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2045   -0.1497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.3450    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   14.7882    0.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2045    1.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5152    2.4102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5152   -1.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8554    2.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9893    1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8363    3.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9893    3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2163    2.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5683    2.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    3.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9483    3.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1045    2.2176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7078    2.9996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9259    2.6029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8723   -1.9276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2708   -1.2373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9259   -1.2929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7078   -1.6896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1045   -0.9076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5822   -1.2624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1836   -1.9527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -0.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -0.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.6299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.6299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.8819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 24  1  0  0  0  0
  2 54  1  0  0  0  0
  3 25  2  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  8  1  0  0  0  0
  5 15  1  0  0  0  0
  5 23  1  0  0  0  0
  6 15  1  0  0  0  0
  6 18  2  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  7 22  1  0  0  0  0
  8 17  2  0  0  0  0
  9 25  1  0  0  0  0
  9 50  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 53  1  0  0  0  0
 11 29  2  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 16  2  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 35  1  0  0  0  0
 17 21  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 24  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 55  1  0  0  0  0
 28 32  2  0  0  0  0
 28 56  1  0  0  0  0
 30 31  1  0  0  0  0
 30 57  1  0  0  0  0
 30 58  1  0  0  0  0
 31 33  1  0  0  0  0
 31 59  1  0  0  0  0
 31 60  1  0  0  0  0
 33 61  1  0  0  0  0
 33 62  1  0  0  0  0
 33 63  1  0  0  0  0
M  END

$$$$
D0QV1E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.061   1.940   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.061   1.115   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.776   0.703   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.490   1.115   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.490   1.940   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.776   2.353   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.776   3.178   0.000  1.00  0.00           N  
HETATM    8  F   UNL     1       3.204   0.703   0.000  1.00  0.00           F  
HETATM    9  N   UNL     1       1.776  -0.122   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1       0.346   0.703   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.368   1.115   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.368   1.940   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.082   0.703   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.836   1.038   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1      -2.388   0.425   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1      -1.976  -0.289   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.169  -0.118   0.000  1.00  0.00           N  
HETATM   18  N   UNL     1      -2.311  -1.043   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1      -3.118  -1.215   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.204  -2.035   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.451  -2.371   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.899  -1.758   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.279  -3.178   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.061  -0.535   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.061  -1.360   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.776  -1.772   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.490  -1.360   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.490  -0.535   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       1.061  -2.185   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       2.490  -2.185   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       3.204  -1.772   0.000  1.00  0.00           N  
HETATM   32  O   UNL     1       2.490  -3.010   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       0.346  -1.772   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    4                                                      
CONECT    9    3   24   28                                            
CONECT   10    2   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   13                                                 
CONECT   18   16   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   18                                                 
CONECT   23   21                                                      
CONECT   24    9   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29   30                                       
CONECT   27   26   28                                                 
CONECT   28   27    9                                                 
CONECT   29   26   33                                                 
CONECT   30   26   31   32                                            
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   29                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END

$$$$

$$$$

$$$$
D0QW4H
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.101   4.076   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.334   3.285   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.235   2.687   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.037   2.881   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.270   3.672   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.701   4.270   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.136   3.091   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.369   2.300   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.171   2.106   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.404   1.314   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.835   0.717   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.033   0.911   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.800   1.702   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.068  -0.075   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.928  -0.331   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.938  -1.137   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.031  -1.409   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.565  -0.728   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.761  -2.264   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.359  -2.833   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.165  -3.635   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.373  -3.868   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.776  -3.300   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.970  -2.498   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       0.015  -3.533   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       0.172  -4.270   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.637  -3.076   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.527  -3.382   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.268  -2.648   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       0.423  -2.279   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       3.039  -3.026   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       3.469  -2.500   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       4.325  -2.772   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.237  -1.861   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.470  -1.070   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.668  -1.264   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.622   0.081   0.000  1.00  0.00           C  
HETATM   38  N   UNL     1      -4.325  -0.331   0.000  1.00  0.00           N  
HETATM   39  C   UNL     1      -4.325  -1.137   0.000  1.00  0.00           C  
HETATM   40  N   UNL     1      -3.622  -1.549   0.000  1.00  0.00           N  
HETATM   41  N   UNL     1      -3.622   0.906   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15   18                                            
CONECT   15   14   16   37                                            
CONECT   16   17   15   40                                            
CONECT   17   16   18   19                                            
CONECT   18   17   14                                                 
CONECT   19   20   24   17                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   19                                                 
CONECT   25   23   26   27                                            
CONECT   26   25                                                      
CONECT   27   25   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   31                                                 
CONECT   30   27                                                      
CONECT   31   29   32                                                 
CONECT   32   31   33   34                                            
CONECT   33   32                                                      
CONECT   34   32   35   36                                            
CONECT   35   34   36                                                 
CONECT   36   35   34                                                 
CONECT   37   15   38   41                                            
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   16                                                 
CONECT   41   37                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D0QW6B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.567   1.487   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.567   0.662   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.218   0.407   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.703   1.074   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.218   1.742   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.234   0.177   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.472  -0.378   0.000  1.00  0.00           N  
HETATM    8  O   UNL     1      -1.234   1.972   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1       1.528   1.074   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.269  -0.591   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.483  -1.388   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.280  -1.602   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.863  -1.018   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.650  -0.222   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.853  -0.008   0.000  1.00  0.00           C  
HETATM   16 CL   UNL     1       0.900  -1.972   0.000  1.00  0.00          Cl  
HETATM   17  O   UNL     1       3.660  -1.232   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.019   0.432   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.504  -0.236   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.019  -0.903   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.234  -0.648   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.355   1.185   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.175   1.272   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.660   0.604   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.325  -0.149   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.274  -1.688   0.000  1.00  0.00           C  
CONECT    1    2    5    8                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    1                                                 
CONECT    6    2   18   21                                            
CONECT    7    3   10                                                 
CONECT    8    1                                                      
CONECT    9    4                                                      
CONECT   10    7   11   15                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   11                                                      
CONECT   17   13                                                      
CONECT   18    6   19   22                                            
CONECT   19   18   20   25                                            
CONECT   20   19   21   26                                            
CONECT   21   20    6                                                 
CONECT   22   18   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   19                                                 
CONECT   26   20                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END

$$$$

$$$$
D0QX0O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858  -1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858  -0.206   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.143  -1.444   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.429  -1.031   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.429  -0.206   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.143   1.031   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.429   1.444   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.715   1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.000   1.444   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.000   2.269   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.715   2.681   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.429   2.269   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.785   1.189   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       1.270   1.856   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1       0.785   2.524   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.715  -1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.715  -2.269   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.000  -2.681   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.715  -2.269   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.715  -1.444   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.000  -1.031   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.429  -1.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.572   0.206   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.572  -1.444   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       1.429  -0.206   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       2.143  -1.444   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.143  -2.269   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       2.858  -2.681   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       3.572  -2.269   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.572  -1.444   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.858  -1.031   0.000  1.00  0.00           C  
CONECT    1    2    3   25                                            
CONECT    2    1    6   24                                            
CONECT    3    1    4                                                 
CONECT    4    3    5   17                                            
CONECT    5    4    6                                                 
CONECT    6    5    2    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    4   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   17                                                 
CONECT   23   21   26   27                                            
CONECT   24    2                                                      
CONECT   25    1                                                      
CONECT   26   23                                                      
CONECT   27   23   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0QX1S
  -OEChem-09301911122D

 49 52  0     1  0  0  0  0  0999 V2000
    5.6084    0.0166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8871    1.7766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5052    1.7766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962    3.3644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.8256    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1962   -0.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1962    0.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1743    1.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962    2.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4833    1.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8434    0.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9361    2.0856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4615    2.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8216    0.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1306    1.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -0.3644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.3644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0685    2.4453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6518   -0.2993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1277    2.6753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3464    2.2772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7445    1.4960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.9844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.7944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6531    2.7821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2364    0.0375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1592    3.6744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2331    3.6744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7370    1.5782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.4844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.2944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.4844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.6375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.4844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.7114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2 25  1  0  0  0  0
  2 28  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5 10  1  0  0  0  0
  5 40  1  0  0  0  0
  5 41  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 11 13  2  0  0  0  0
 11 29  1  0  0  0  0
 12 17  1  0  0  0  0
 12 30  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 31  1  0  0  0  0
 15 21  2  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  2  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 22  2  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
 21 39  1  0  0  0  0
 22 42  1  0  0  0  0
 23 25  1  0  0  0  0
 23 43  1  0  0  0  0
 24 26  2  0  0  0  0
 24 44  1  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
M  END

$$$$
D0QX2U
  -OEChem-09301911172D

 39 41  0     1  0  0  0  0  0999 V2000
    2.0000   -1.7279    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.7479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.2521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    2.2479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.2521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9733    2.2177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -3.7521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0712    2.8357    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7622    3.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    3.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4532    2.8357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    1.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0222    2.5267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -0.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -2.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -2.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.7174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -3.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -2.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -3.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1682    2.2233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3686    3.9157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6974    4.4034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8270    4.4034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1557    3.9157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8868    3.0879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1432    2.2988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1841    1.3305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7856    0.6402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9331   -0.5621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9331   -1.9421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -1.0975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -4.4067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9331   -3.5621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284   -3.5850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 12  2  0  0  0  0
  3 15  2  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  5 34  1  0  0  0  0
  6 14  3  0  0  0  0
  7 18  2  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  1  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 19 35  1  0  0  0  0
 20 23  2  0  0  0  0
 20 36  1  0  0  0  0
 21 24  2  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 24 39  1  0  0  0  0
M  END

$$$$
D0QX3G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.072  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.357  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.357  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.072  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.786   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.072   1.031   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.357   0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.501   1.031   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       2.501   1.856   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1       3.215   0.619   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1       3.930   1.031   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -1.072   0.619   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1      -1.786  -0.619   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.786  -1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.501  -1.856   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.215  -1.444   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.501   0.619   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.215   1.031   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.930   0.619   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.930  -0.206   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.215  -0.619   0.000  1.00  0.00           C  
CONECT    1    2   13   14                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7    9                                            
CONECT    7    6    8                                                 
CONECT    8    7    3                                                 
CONECT    9    6   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   12                                                 
CONECT   12   11                                                      
CONECT   13    1                                                      
CONECT   14    1   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16                                                      
CONECT   18   14   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0QX6W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.541   0.852   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.541   0.027   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.827  -0.385   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.112   0.027   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.112   0.852   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.827   1.265   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.256   1.265   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.970   0.852   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.684   1.265   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1      -2.970   0.027   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.399   0.852   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.113   1.265   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.113   0.440   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.399   0.027   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.602  -0.385   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.317   0.027   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.031  -0.385   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.746   0.027   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       3.499  -0.308   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.051   0.305   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.639   1.019   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1       2.832   0.848   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.754  -1.093   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.561  -1.265   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.113  -0.651   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.859   0.133   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       2.031  -1.210   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   15                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9   12   13   14                                       
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14   11                                                      
CONECT   15    4   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   27                                            
CONECT   18   17   19   22                                            
CONECT   19   18   20   23                                            
CONECT   20   19   21   26                                            
CONECT   21   20   22                                                 
CONECT   22   21   18                                                 
CONECT   23   19   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   20                                                 
CONECT   27   17                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0QY3L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.281   0.100   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.281  -0.725   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.567  -1.138   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.852  -0.725   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.852   0.100   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.567   0.512   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.138   0.512   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.423   0.100   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.709   0.512   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.006   0.100   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -0.709   1.337   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.006  -0.725   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.720  -1.138   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.435  -0.725   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.435   0.100   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.720   0.512   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.219  -0.980   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       2.704  -0.313   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.219   0.355   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       2.474  -1.765   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.110   0.754   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.896   1.551   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.099   1.765   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.516   1.181   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.730   0.384   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.526   0.171   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.631   0.767   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.043   0.053   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.869   0.053   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.281   0.767   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.869   1.482   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.043   1.482   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   12   16                                            
CONECT   11    9                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16   19                                            
CONECT   16   15   10                                                 
CONECT   17   14   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   15   21   27                                       
CONECT   20   17                                                      
CONECT   21   19   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   19   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0QY4O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.844  -0.405   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.844  -1.230   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.559  -1.643   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.273  -1.230   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.273  -0.405   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.559   0.007   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       2.987   0.007   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       2.987  -1.643   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       2.987  -2.468   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1       3.702  -1.230   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1       0.130   0.007   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.043   0.828   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.764   0.999   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.176   0.285   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.624  -0.328   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.099   1.753   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.512   2.468   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.064   0.175   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.562   0.833   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.381   0.731   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.702  -0.029   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.205  -0.687   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.386  -0.585   0.000  1.00  0.00           C  
CONECT    1    2    6   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    4    9   10                                            
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11    1   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   18                                            
CONECT   15   14   11                                                 
CONECT   16   13   17                                                 
CONECT   17   16                                                      
CONECT   18   14   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0QY6M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -5.567  -3.203   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.155  -3.917   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.330  -3.917   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.918  -3.203   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.330  -2.489   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.155  -2.489   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.093  -3.203   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.608  -3.870   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.824  -3.615   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.824  -2.790   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.608  -2.535   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.109  -4.028   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.395  -3.615   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.395  -2.790   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.109  -2.378   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.109  -1.553   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.863  -4.654   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.918  -1.774   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.505  -1.060   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.093  -0.346   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.268  -0.346   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.856   0.369   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.268   1.083   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.093   1.083   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.505   0.369   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.031   0.369   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.619   1.083   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       0.206   1.083   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       0.619   1.797   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.443   1.797   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.856   2.512   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.443   3.226   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       0.619   3.226   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       0.206   2.512   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1      -1.031   1.797   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1       1.856   3.940   0.000  1.00  0.00           C  
HETATM   37  N   UNL     1       2.681   3.940   0.000  1.00  0.00           N  
HETATM   38  C   UNL     1       3.093   3.226   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       3.918   3.226   0.000  1.00  0.00           C  
HETATM   40  N   UNL     1       4.330   3.940   0.000  1.00  0.00           N  
HETATM   41  C   UNL     1       3.918   4.654   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       3.093   4.654   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       5.155   3.940   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       5.567   3.226   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1       2.681   2.512   0.000  1.00  0.00           C  
HETATM   46  F   UNL     1       2.681   1.687   0.000  1.00  0.00           F  
HETATM   47  F   UNL     1       3.505   2.512   0.000  1.00  0.00           F  
HETATM   48  F   UNL     1       2.681   3.336   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   18                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   17                                            
CONECT    9    8   10   12                                            
CONECT   10    9   11   15                                            
CONECT   11   10    7                                                 
CONECT   12    9   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10   16                                            
CONECT   16   15                                                      
CONECT   17    8                                                      
CONECT   18    5   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   22   27                                                 
CONECT   27   26   28   35                                            
CONECT   28   27   29                                                 
CONECT   29   28   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   45   30   32                                            
CONECT   32   31   33   36                                            
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   27                                                      
CONECT   36   32   37                                                 
CONECT   37   36   38   42                                            
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41   43                                            
CONECT   41   40   42                                                 
CONECT   42   41   37                                                 
CONECT   43   40   44                                                 
CONECT   44   43                                                      
CONECT   45   46   47   48   31                                       
CONECT   46   45                                                      
CONECT   47   45                                                      
CONECT   48   45                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
M  END

$$$$
D0QZ4B
  -OEChem-09301911212D

 50 54  0     0  0  0  0  0  0999 V2000
    2.0000   -0.4771    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7404   -0.2819    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4771    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320   -1.4771    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -1.4771    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8241    1.3889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3241    2.2549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3186   -1.3137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9173   -2.1227    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5265   -2.2919    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6605   -2.7919    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3241    0.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7404    1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3241    0.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8241   -0.3432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8241    1.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8241   -0.3432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3241    0.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3241   -1.2092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9331    1.9169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.1429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.0971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -0.2871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5141   -0.8801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.1429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9441    0.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.1429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6341    2.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7041    2.2549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.3329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0929   -2.5440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 34  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 36  1  0  0  0  0
  4 36  1  0  0  0  0
  5 36  1  0  0  0  0
  6 28  2  0  0  0  0
  7 21  1  0  0  0  0
  7 28  1  0  0  0  0
  7 42  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 44  1  0  0  0  0
  9 25  1  0  0  0  0
  9 29  2  0  0  0  0
 10 25  1  0  0  0  0
 10 47  1  0  0  0  0
 10 48  1  0  0  0  0
 11 13  1  0  0  0  0
 11 32  2  0  0  0  0
 12 14  2  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 50  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 15 20  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 37  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  2  0  0  0  0
 20 21  2  0  0  0  0
 20 38  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  2  0  0  0  0
 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 26  2  0  0  0  0
 24 41  1  0  0  0  0
 26 29  1  0  0  0  0
 26 32  1  0  0  0  0
 27 31  2  0  0  0  0
 27 33  1  0  0  0  0
 29 43  1  0  0  0  0
 30 31  1  0  0  0  0
 30 34  2  0  0  0  0
 30 36  1  0  0  0  0
 31 45  1  0  0  0  0
 33 35  2  0  0  0  0
 33 46  1  0  0  0  0
 34 35  1  0  0  0  0
 35 49  1  0  0  0  0
M  END

$$$$
D0QZ8K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.882  -1.326   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.057  -1.326   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.645  -0.611   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.057   0.103   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.882   0.103   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.295  -0.611   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.505  -1.939   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.752  -1.603   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.838  -0.783   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.419  -2.759   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.612  -2.931   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.200  -2.216   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.254  -0.200   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.429  -0.200   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.017  -0.914   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       0.154   0.384   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.951   0.170   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.534   0.754   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.321   1.551   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       0.524   1.764   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.060   1.181   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.904   2.134   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.701   1.921   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       1.690   2.931   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       2.914   1.124   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.711   0.910   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.295   1.493   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.081   2.290   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.284   2.504   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8   10                                            
CONECT    8    7    9   12                                            
CONECT    9    8    3   13                                            
CONECT   10    7   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    8                                                 
CONECT   13    9   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   19   23   24                                            
CONECT   23   22   25   29                                            
CONECT   24   22                                                      
CONECT   25   23   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   23                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0R0GY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.067  -0.427   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.067  -1.252   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.353  -1.664   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.638  -1.252   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.638  -0.427   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.353  -0.014   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.924  -0.014   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.209  -0.427   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       0.505  -0.014   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.924   0.811   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.782  -1.664   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.220  -0.427   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.934  -0.014   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.934   0.811   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.220   1.223   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.505   0.811   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.649   1.223   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       3.363   0.811   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1       4.078   1.223   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       4.078   2.048   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.363   2.461   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.649   2.048   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       4.792   2.461   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       4.792   0.811   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.579  -1.450   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.792  -2.247   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.995  -2.461   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8   12   16                                            
CONECT   10    7                                                      
CONECT   11    2   25   27                                            
CONECT   12    9   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15    9                                                 
CONECT   17   14   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   20                                                      
CONECT   24   19                                                      
CONECT   25   11   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   11                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0R0QY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.993   1.033   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.196   0.819   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.613   1.403   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.826   2.200   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.623   2.413   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.206   1.830   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.982   0.022   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.502  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.052  -1.311   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.255  -1.097   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.212  -0.273   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.095  -2.135   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.325  -2.430   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.806  -1.789   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.326  -0.619   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.629   0.310   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.168   0.097   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.751   0.680   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       0.382  -0.700   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       1.548   0.467   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.132   1.050   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.918   1.847   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.121   2.060   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.538   1.477   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.502   2.430   0.000  1.00  0.00           N  
HETATM   26  O   UNL     1       3.326   2.430   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8   11                                            
CONECT    8    7    9   15                                            
CONECT    9    8   10   12                                            
CONECT   10    9   11   14                                            
CONECT   11   10    7   16                                            
CONECT   12    9   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15    8                                                      
CONECT   16   11   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   20   24                                            
CONECT   19   17                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
CONECT   25   22   26                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0R0SJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.232   3.050   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.232   2.225   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.518   1.812   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.197   2.225   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.197   3.050   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.518   3.462   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.982   1.970   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.466   2.637   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1       0.982   3.305   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -1.947   1.812   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.661   2.225   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.376   1.812   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.661   3.050   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.236   1.185   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.751   0.518   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.236  -0.150   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.021   0.105   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.021   0.930   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.065  -0.957   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.678  -1.509   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.463  -1.254   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.634  -0.447   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       3.076  -1.806   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       2.904  -2.613   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.517  -3.165   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.302  -2.910   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.473  -2.103   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.860  -1.551   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.200   1.812   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.788   1.098   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -4.414   2.609   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -4.915   1.399   0.000  1.00  0.00           F  
HETATM   33  C   UNL     1       4.915  -3.462   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   14                                            
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    2   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11   29   30                                            
CONECT   13   11                                                      
CONECT   14    7   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18   22                                            
CONECT   18   17   14                                                 
CONECT   19   16   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   17                                                 
CONECT   23   21   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   33                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   12   30   31   32                                       
CONECT   30   29   12                                                 
CONECT   31   29                                                      
CONECT   32   29                                                      
CONECT   33   26                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END

$$$$

$$$$

$$$$
D0R0YB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.856  -0.853   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.141  -0.441   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.427  -0.853   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.288  -0.441   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.288   0.384   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.427   0.797   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.141   0.384   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.002   0.797   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.717   0.384   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.431   0.797   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.431   1.622   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.717   2.034   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.002   1.622   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       3.216   0.542   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       3.701   1.209   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.216   1.877   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.427   1.622   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       3.628  -0.173   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.498   1.423   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.711   2.220   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       4.128   2.803   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       3.331   2.589   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.544   1.792   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.128   1.636   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.570  -0.441   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.285  -0.853   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.285  -1.678   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.570  -2.091   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -1.856  -1.678   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.999  -2.091   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -4.410  -1.379   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -4.711  -2.502   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -3.588  -2.803   0.000  1.00  0.00           F  
CONECT    1    2   25   29                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    7   17                                            
CONECT    7    6    2                                                 
CONECT    8    5    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15   18                                            
CONECT   15   14   16   19                                            
CONECT   16   15   11   22                                            
CONECT   17    6                                                      
CONECT   18   14                                                      
CONECT   19   15   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   16   23                                            
CONECT   23   22   24                                                 
CONECT   24   20   23                                                 
CONECT   25    1   26                                                 
CONECT   26   25   27                                                 
CONECT   27   30   26   28                                            
CONECT   28   27   29                                                 
CONECT   29   28    1                                                 
CONECT   30   31   32   33   27                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0R1OG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572   2.062   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572   1.238   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.858   0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143   1.238   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.143   2.062   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.858   2.475   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.287   0.825   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -5.001   1.238   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1      -4.287   0.000   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.429   0.000   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.715  -0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.000   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.000   0.825   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.715   1.238   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.715  -1.238   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.429  -1.650   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       0.000  -1.650   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       0.715  -1.238   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.429  -1.650   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.143  -1.238   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.858  -1.650   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       2.858  -2.475   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       3.572  -1.238   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       4.287  -1.650   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       5.001  -2.062   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       5.001  -1.238   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.287  -2.475   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4   11   15                                            
CONECT    8    2    9   10                                            
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11    7   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    7                                                 
CONECT   16   12   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0R1PX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.010   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.010  -0.825   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.296  -1.238   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.419  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.419   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.296   0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.725   0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.725  -1.238   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.725   1.238   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.439   1.650   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.154   1.238   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.154   0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.439   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.439  -0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.154  -1.238   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.154  -2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.439  -2.475   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.725  -2.062   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -3.868  -2.475   0.000  1.00  0.00          Cl  
HETATM   20 CL   UNL     1      -3.868   1.650   0.000  1.00  0.00          Cl  
HETATM   21 CL   UNL     1      -1.010  -2.475   0.000  1.00  0.00          Cl  
HETATM   22  O   UNL     1       1.133  -1.238   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.848  -0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.848   0.000   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.133   0.412   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       1.133   1.238   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.673  -0.825   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.431  -1.408   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.848   1.650   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.562   1.238   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       1.848   2.475   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       2.648   0.417   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.455   0.245   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       3.868   0.960   0.000  1.00  0.00           N  
HETATM   35  N   UNL     1       3.316   1.573   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1       3.791  -0.508   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   22                                            
CONECT    5    4    6   25                                            
CONECT    6    5    1                                                 
CONECT    7    1    9   13                                            
CONECT    8    2   14   18                                            
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   20                                            
CONECT   12   11   13                                                 
CONECT   13   12    7                                                 
CONECT   14    8   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17    8   21                                            
CONECT   19   16                                                      
CONECT   20   11                                                      
CONECT   21   18                                                      
CONECT   22    4   23                                                 
CONECT   23   22   24   27   28                                       
CONECT   24   23   25                                                 
CONECT   25   24    5   26                                            
CONECT   26   25   29                                                 
CONECT   27   23                                                      
CONECT   28   23                                                      
CONECT   29   26   30   31                                            
CONECT   30   29   32   35                                            
CONECT   31   29                                                      
CONECT   32   30   33                                                 
CONECT   33   32   34   36                                            
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
CONECT   36   33                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0R2AI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.501  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.786  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.786   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.501   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.072  -0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.357  -0.412   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       0.357  -0.825   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.072  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.786  -0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.501  -0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.501   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.786   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.072   0.412   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.215   0.825   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13                                                      
MASTER        0    0    0    0    0    0    0    0   16    0   16    0
END
M  END

$$$$
D0R2GT
  -OEChem-09301911242D

 28 30  0     0  0  0  0  0  0999 V2000
    2.0000    1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.2553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -1.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -1.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    0.3341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -2.4540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -2.4630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519    0.3430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -2.4630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719    0.3430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8819   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 28  1  0  0  0  0
  2 15  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 19  1  0  0  0  0
  4  7  2  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 20  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 14  2  0  0  0  0
 11 21  1  0  0  0  0
 12 16  1  0  0  0  0
 12 22  1  0  0  0  0
 13 17  2  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 16 18  2  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  0  0  0  0
 18 27  1  0  0  0  0
M  END

$$$$
D0R2QV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   0.151   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215   0.564   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786   0.564   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.786   1.389   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501   1.801   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215   1.389   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.072   0.151   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.357   0.564   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.357   1.389   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1       0.357   0.151   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.072   0.564   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.786   0.151   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.786  -0.674   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.501  -1.087   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.215  -0.674   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.215   0.151   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.501   0.564   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.930  -1.087   0.000  1.00  0.00           C  
HETATM   19  F   UNL     1       4.644  -1.499   0.000  1.00  0.00           F  
HETATM   20  F   UNL     1       4.342  -0.372   0.000  1.00  0.00           F  
HETATM   21  F   UNL     1       3.517  -1.801   0.000  1.00  0.00           F  
HETATM   22  N   UNL     1      -3.930   0.151   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.930  -0.674   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.215  -1.087   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.501  -0.674   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1      -4.644  -1.087   0.000  1.00  0.00           O  
HETATM   27  N   UNL     1       2.500   0.976   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       3.214   0.564   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.785   0.564   0.000  1.00  0.00           C  
CONECT    1    2    3   25                                            
CONECT    2    1    6   22                                            
CONECT    3    1    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    2                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   27                                            
CONECT   18   15   19   20   21                                       
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   18                                                      
CONECT   22    2   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24    1                                                 
CONECT   26   23                                                      
CONECT   27   17   28   29                                            
CONECT   28   27                                                      
CONECT   29   27                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0R2TH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.980  -1.705   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.980  -2.530   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.266  -2.942   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.449  -2.530   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.449  -1.705   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.266  -1.292   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.163  -2.942   0.000  1.00  0.00           C  
HETATM    8  F   UNL     1       1.877  -3.355   0.000  1.00  0.00           F  
HETATM    9  F   UNL     1       0.751  -3.657   0.000  1.00  0.00           F  
HETATM   10  N   UNL     1      -0.266  -0.467   0.000  1.00  0.00           N  
HETATM   11  F   UNL     1       1.576  -2.228   0.000  1.00  0.00           F  
HETATM   12  C   UNL     1       0.449  -0.055   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.449   0.770   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.266   1.183   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.980   0.770   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.980  -0.055   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.163  -0.467   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.695  -0.467   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.695   1.183   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.695   2.008   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1      -2.409   0.770   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       1.163   1.183   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.960   0.969   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.409   1.661   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       1.890   2.302   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1       1.120   2.007   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       0.405   2.419   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.405   3.244   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.309   3.657   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.024   3.244   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.024   2.419   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.309   2.007   0.000  1.00  0.00           C  
HETATM   33 CL   UNL     1      -1.738   3.657   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   10                                            
CONECT    7    4    8    9   11                                       
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    6   12   16                                            
CONECT   11    7                                                      
CONECT   12   10   13   17                                            
CONECT   13   12   14   22                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   10   18                                            
CONECT   17   12                                                      
CONECT   18   16                                                      
CONECT   19   15   20   21                                            
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   13   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   22   27                                            
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0R2VB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.856   0.055   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.681   0.055   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.094  -0.659   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.681  -1.374   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.856  -1.374   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.444  -0.659   0.000  1.00  0.00           C  
HETATM    7 SI   UNL     1      -3.919  -0.659   0.000  1.00  0.00          Si  
HETATM    8  C   UNL     1      -3.919   0.166   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.919  -1.484   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.744  -0.659   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.619  -0.659   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.206   0.055   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.619   0.055   0.000  1.00  0.00           N  
HETATM   14  O   UNL     1      -0.619   0.770   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.031  -0.659   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.856  -0.659   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       2.269   0.055   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.856   0.770   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.031   0.770   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.094   0.055   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.506  -0.659   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       4.331  -0.659   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.744   0.055   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.331   0.770   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.506   0.770   0.000  1.00  0.00           C  
HETATM   26 CL   UNL     1       3.094   1.484   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   11                                            
CONECT    7    3    8    9   10                                       
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    7                                                      
CONECT   11    6   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   15   19                                            
CONECT   14   12                                                      
CONECT   15   13   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   13                                                 
CONECT   20   17   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20   26                                            
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0R2XX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.339   1.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.339   0.794   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.625   0.382   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.090   0.794   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.090   1.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.625   2.031   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -2.054   0.382   0.000  1.00  0.00          Cl  
HETATM    8  C   UNL     1       0.735   0.280   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.539   0.463   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.897   1.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.539   1.950   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.735   2.133   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.551  -0.525   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.237  -0.768   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.421  -1.572   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.184  -2.133   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.973  -1.890   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.156  -1.086   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1       0.001  -2.938   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1       0.551   2.938   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       2.054   2.595   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6   12                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    4    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   21                                            
CONECT   12   11    5   20                                            
CONECT   13    8   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16                                                      
CONECT   20   12                                                      
CONECT   21   11                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0R3JK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.299   0.595   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.474   0.595   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.061  -0.120   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.474  -0.834   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.299  -0.834   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.711  -0.120   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.764  -0.120   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       1.711   1.309   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       2.536   1.309   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.347   0.464   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1      -2.082   0.089   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.953  -0.726   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.138  -0.855   0.000  1.00  0.00           C  
HETATM   14 BR   UNL     1      -2.536  -1.309   0.000  1.00  0.00          Br  
CONECT    1    2    6    8                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3   13   10                                            
CONECT    8    1    9                                                 
CONECT    9    8                                                      
CONECT   10   11    7                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    7                                                 
CONECT   14   12                                                      
MASTER        0    0    0    0    0    0    0    0   14    0   14    0
END
M  END

$$$$
D0R3JM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  S   UNL     1      -1.366   1.417   0.000  1.00  0.00           S  
HETATM    2  C   UNL     1      -0.615   1.083   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.701   0.265   0.000  1.00  0.00           N  
HETATM    4  N   UNL     1      -1.505   0.094   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.916   0.806   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.035   0.313   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.369   1.064   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.886   1.729   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.068   1.643   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.734   0.892   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.217   0.227   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.097   1.494   0.000  1.00  0.00           N  
HETATM   13  S   UNL     1       0.809   1.083   0.000  1.00  0.00           S  
HETATM   14  C   UNL     1       1.521   0.672   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.521  -0.150   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.233  -0.561   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.945  -0.150   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.945   0.672   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.233   1.083   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       3.657  -0.561   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       4.369  -0.150   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       2.233  -1.384   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.521  -1.795   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       0.398   0.371   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1       1.220   1.795   0.000  1.00  0.00           O  
CONECT    1    5    2                                                 
CONECT    2    1    3   12                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    1    4   10                                            
CONECT    6   11    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    5    9   11                                            
CONECT   11    6   10                                                 
CONECT   12    2   13                                                 
CONECT   13   12   14   24   25                                       
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   22                                            
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21                                                 
CONECT   21   20                                                      
CONECT   22   16   23                                                 
CONECT   23   22                                                      
CONECT   24   13                                                      
CONECT   25   13                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0R3QC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.634   0.329   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.634  -0.496   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.920  -0.909   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.205  -0.496   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.205   0.329   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.920   0.741   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.491  -0.909   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.776  -0.496   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.062  -0.909   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.776   0.329   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.653  -0.496   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.367  -0.909   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.082  -0.496   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.796  -0.909   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.511  -0.496   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.225  -0.909   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       4.940  -0.496   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       5.654  -0.909   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       4.225  -1.734   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.348   0.741   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.435   1.562   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.242   1.734   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -5.654   1.019   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.102   0.406   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.348  -0.909   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.348  -1.731   0.000  1.00  0.00           C  
CONECT    1    2    6   20                                            
CONECT    2   25    1    3                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17                                                      
CONECT   19   16                                                      
CONECT   20    1   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   20                                                 
CONECT   25   26    2                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0R3RJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.786  -1.031   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.072  -1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.357  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.357  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.072  -1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.072  -0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.357   0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.357  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.786   0.206   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       1.786   1.031   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1       2.501  -0.206   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1       3.215   0.206   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.786  -0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.215  -0.206   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.215  -1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.501  -1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.072   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.786   1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.501   1.031   0.000  1.00  0.00           C  
CONECT    1    2   13   17                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7    9                                            
CONECT    7    6    8                                                 
CONECT    8    7    3                                                 
CONECT    9    6   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   12                                                 
CONECT   12   11                                                      
CONECT   13    1   14   18                                            
CONECT   14   13   15   21                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16    1                                                 
CONECT   18   13   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   14                                                 
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0R3UI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.858  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.858   0.206   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -2.858  -2.269   0.000  1.00  0.00          Cl  
HETATM    8  N   UNL     1      -1.429   0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.714  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.000   0.206   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.714  -1.031   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.714  -0.206   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.429   0.206   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.143  -0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.858   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.858   1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.143   1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.429   1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.143   2.269   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.572  -0.206   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    3                                                      
CONECT    8    5    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   12                                                 
CONECT   11    9                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   13                                                 
CONECT   19   17                                                      
CONECT   20   15                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0R3VG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.061   1.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.061   1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.776   0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.490   1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.490   1.856   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.776   2.269   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.776  -0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.061  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.061  -1.444   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.776  -1.856   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.490  -1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.490  -0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.061  -2.269   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.346  -1.856   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       1.061  -3.094   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       2.490  -2.269   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.204  -1.856   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.346   0.619   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.368   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.082   0.619   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.368   1.856   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.836   0.954   0.000  1.00  0.00           C  
HETATM   23  S   UNL     1      -2.388   0.341   0.000  1.00  0.00           S  
HETATM   24  C   UNL     1      -1.976  -0.373   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.169  -0.202   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.311  -1.127   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.118  -1.298   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.204  -2.119   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1      -2.451  -2.454   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -1.899  -1.841   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       1.776   3.094   0.000  1.00  0.00           N  
HETATM   32  F   UNL     1       3.204   0.619   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5   32                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   31                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13   16                                       
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   10   17                                                 
CONECT   17   16                                                      
CONECT   18    2   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   22   25                                            
CONECT   21   19                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   20                                                 
CONECT   26   24   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   26                                                 
CONECT   31    6                                                      
CONECT   32    4                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END

$$$$

$$$$
D0R3YM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.529   1.493   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.814   1.906   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.100   1.493   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.385   1.906   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.671   1.493   0.000  1.00  0.00           N  
HETATM    6  O   UNL     1      -3.385   2.731   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.957   1.906   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.242   1.493   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.528   1.906   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -1.242   0.668   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.226   1.570   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.778   2.183   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.365   2.898   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.441   2.726   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.638   0.856   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.435   0.642   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       2.019   1.226   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.805   2.022   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.816   1.012   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.649  -0.155   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.446  -0.368   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.659  -1.165   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.076  -1.748   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.289  -2.545   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.086  -2.759   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.670  -2.175   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.456  -1.379   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1       3.300  -3.556   0.000  1.00  0.00           F  
HETATM   29  C   UNL     1       3.111   0.242   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       3.935   0.285   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       4.149   1.082   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       3.457   1.531   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       4.519  -0.298   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       5.315  -0.085   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       5.529   0.712   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1       4.946   1.295   0.000  1.00  0.00           N  
HETATM   37  C   UNL     1      -1.957   2.731   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.671   3.143   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.242   3.143   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.957   3.556   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.100   0.668   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4   41                                            
CONECT    4    3    5    6                                            
CONECT    5    4    7                                                 
CONECT    6    4                                                      
CONECT    7    5    8   37                                            
CONECT    8    7    9   10                                            
CONECT    9    8   11   14                                            
CONECT   10    8                                                      
CONECT   11    9   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17   20                                            
CONECT   17   16   18   19                                            
CONECT   18   17                                                      
CONECT   19   17   29   32                                            
CONECT   20   16   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   25                                                      
CONECT   29   19   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32   36                                            
CONECT   32   31   19                                                 
CONECT   33   30   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
CONECT   37    7   38   39   40                                       
CONECT   38   37                                                      
CONECT   39   37                                                      
CONECT   40   37                                                      
CONECT   41    3                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D0R4CX
  -OEChem-09301911292D

 55 58  0     0  0  0  0  0  0999 V2000
   15.9962    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1302   -0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4039   -0.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6661    2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9340    2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5321    0.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8001   -0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9340   -2.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2642    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3981    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7642    1.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7642   -0.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1302    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6661    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8001    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0680    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0680   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9340    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1741   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9340   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1741    1.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2680   -0.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2680    0.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8039   -0.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5360   -0.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8001    0.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6719   -0.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6642    1.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9121   -0.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9041    1.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0040   -0.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9340   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7967    1.8200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9996    1.8200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3011    1.4010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0742    2.2480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2272    2.0210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2272    0.2890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4542   -0.5580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3011   -0.3310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5321    0.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1812   -1.3096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1812    1.9996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7323    1.1779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5332    0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6743   -1.3058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0678    1.1296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6618    1.9342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9216   -1.3472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3971    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9089    1.9620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4695   -0.5311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.1347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 47  1  0  0  0  0
  2 13  2  0  0  0  0
  3 22  1  0  0  0  0
  3 25  1  0  0  0  0
  4 14  2  0  0  0  0
  5 18  1  0  0  0  0
  5 52  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  6 43  1  0  0  0  0
  7 15  1  0  0  0  0
  7 20  2  0  0  0  0
  8 34  3  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 14 15  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 21  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 22  2  0  0  0  0
 19 44  1  0  0  0  0
 20 34  1  0  0  0  0
 21 23  2  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
 23 46  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 30  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 31  2  0  0  0  0
 27 48  1  0  0  0  0
 28 29  2  0  0  0  0
 28 49  1  0  0  0  0
 29 50  1  0  0  0  0
 30 32  1  0  0  0  0
 30 51  1  0  0  0  0
 31 33  1  0  0  0  0
 31 53  1  0  0  0  0
 32 33  2  0  0  0  0
 32 54  1  0  0  0  0
 33 55  1  0  0  0  0
M  END

$$$$
D0R4IT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.714   1.239   0.000  1.00  0.00           N  
HETATM    2  N   UNL     1      -3.205   0.576   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.726  -0.096   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.939   0.152   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.932   0.977   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.228  -0.267   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.510   0.152   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.510   0.977   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.228   1.396   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.988  -0.878   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.776  -1.122   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.776  -1.947   0.000  1.00  0.00           C  
HETATM   13  S   UNL     1      -2.988  -2.213   0.000  1.00  0.00           S  
HETATM   14  C   UNL     1      -2.494  -1.552   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.205   1.388   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.207   2.213   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       0.920   0.975   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.920   0.150   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.634  -0.262   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.349   0.150   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.349   0.975   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.634   1.388   0.000  1.00  0.00           C  
HETATM   23 CL   UNL     1       1.634   2.213   0.000  1.00  0.00          Cl  
HETATM   24  C   UNL     1       3.062   1.388   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1       2.649   2.103   0.000  1.00  0.00           F  
HETATM   26  F   UNL     1       3.776   1.801   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1       3.474   0.674   0.000  1.00  0.00           F  
CONECT    1    2    5                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   10                                            
CONECT    4    3    5    6                                            
CONECT    5    4    1    9                                            
CONECT    6    4    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   15                                            
CONECT    9    8    5                                                 
CONECT   10    3   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15    8   16   17                                            
CONECT   16   15                                                      
CONECT   17   15   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   17   23                                            
CONECT   23   22                                                      
CONECT   24   21   25   26   27                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0R4RV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.357  -0.102   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.226  -0.686   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.097  -1.500   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.832  -1.875   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       1.416  -1.292   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.041  -0.556   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.638  -1.875   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.330  -1.426   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.065  -1.800   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.108  -2.624   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.416  -3.073   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.681  -2.699   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.416   0.179   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.828  -0.577   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.239   0.222   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.614   0.957   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.165   1.649   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.341   1.606   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.966   0.871   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.154  -0.316   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.737   0.268   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.534   0.054   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.748  -0.743   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.164  -1.326   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.368  -1.113   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.230  -1.421   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       2.748  -0.782   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1       2.525  -2.188   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1       2.539   2.384   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       2.091   3.073   0.000  1.00  0.00           C  
CONECT    1    2   20                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5   26    4    6   14                                       
CONECT    6    5    2   13                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    6   15   19                                            
CONECT   14    5                                                      
CONECT   15   13   16                                                 
CONECT   16   15   17                                                 
CONECT   17   29   16   18                                            
CONECT   18   17   19                                                 
CONECT   19   18   13                                                 
CONECT   20    1   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   27   28    5                                            
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   30   17                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END

$$$$

$$$$

$$$$
D0R5HG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.218   1.702   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.218   0.879   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.506   0.469   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.206   0.879   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.206   1.702   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.506   2.113   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.930   2.113   0.000  1.00  0.00           O  
HETATM    8 CL   UNL     1      -0.506   2.935   0.000  1.00  0.00          Cl  
HETATM    9  C   UNL     1       0.918   0.469   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.918  -0.354   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.630  -0.765   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.342  -0.354   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.342   0.469   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.630   0.879   0.000  1.00  0.00           N  
HETATM   15  N   UNL     1       1.630  -1.590   0.000  1.00  0.00           N  
HETATM   16  S   UNL     1       0.916  -2.002   0.000  1.00  0.00           S  
HETATM   17  C   UNL     1       0.201  -2.415   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.328  -2.717   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       0.503  -1.288   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.513  -2.002   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.228  -2.415   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.228  -3.240   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.513  -3.652   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.201  -3.240   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.930   2.938   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.517   3.652   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.342   3.652   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1      -1.942  -3.652   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    1   25                                                 
CONECT    8    6                                                      
CONECT    9    4   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17   18   19                                       
CONECT   17   16   20   24                                            
CONECT   18   16                                                      
CONECT   19   16                                                      
CONECT   20   17   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   28                                            
CONECT   23   22   24                                                 
CONECT   24   23   17                                                 
CONECT   25    7   26   27                                            
CONECT   26   25   27                                                 
CONECT   27   26   25                                                 
CONECT   28   22                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0R6EF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.919   0.569   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.435  -0.098   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.350   0.157   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.350   0.981   0.000  1.00  0.00           C  
HETATM    5  S   UNL     1      -0.435   1.236   0.000  1.00  0.00           S  
HETATM    6  C   UNL     1       0.995  -0.358   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.799  -0.174   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.157   0.569   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.799   1.312   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.995   1.496   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.690  -0.883   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.744   0.569   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.138  -1.496   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.157  -0.145   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.157   1.283   0.000  1.00  0.00           C  
CONECT    1    2    5   12                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4    6                                            
CONECT    4    3    5   10                                            
CONECT    5    4    1                                                 
CONECT    6    3    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    2   13                                                 
CONECT   12    1   14   15                                            
CONECT   13   11                                                      
CONECT   14   12                                                      
CONECT   15   12                                                      
MASTER        0    0    0    0    0    0    0    0   15    0   15    0
END
M  END

$$$$
D0R6HF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.715  -0.412   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.000  -0.825   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.715  -0.412   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1      -0.715   0.412   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1       1.429  -0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.143  -0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.143   0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.429   0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.715   0.412   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.858   0.825   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       2.858   1.650   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.572   2.062   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       4.287   1.650   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       2.858  -0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.944  -1.645   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.751  -1.817   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       4.164  -1.103   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1       3.612  -0.489   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       3.825   0.307   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.143  -0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.858  -0.825   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.858  -1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.143  -2.062   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.429  -1.650   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1      -3.572  -2.062   0.000  1.00  0.00           F  
HETATM   27  C   UNL     1      -3.572  -0.412   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1      -4.287   0.000   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -3.160   0.302   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -3.985  -1.127   0.000  1.00  0.00           F  
CONECT    1    2   21   25                                            
CONECT    2    1    3    5                                            
CONECT    3    2    4                                                 
CONECT    4    3    6   10                                            
CONECT    5    2                                                      
CONECT    6    4    7                                                 
CONECT    7    6    8   15                                            
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    8   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13                                                      
CONECT   15    7   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   15   20                                            
CONECT   20   19                                                      
CONECT   21    1   22                                                 
CONECT   22   21   23   27                                            
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24    1                                                 
CONECT   26   23                                                      
CONECT   27   22   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0R6KH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.072   2.248   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.072   1.423   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.786   1.010   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       2.501   1.423   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.501   2.248   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       1.786   2.660   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       0.357   2.660   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.357   2.248   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.357   1.423   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.357   1.010   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1      -1.072   1.010   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.072   0.185   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.786  -0.227   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.786  -1.052   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.072  -1.465   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.357  -1.052   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.357  -0.227   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.786   0.185   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.072  -0.227   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.072  -1.052   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       1.786  -1.465   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.501  -1.052   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.501  -0.227   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.786   3.485   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       3.215   2.660   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       3.215   1.010   0.000  1.00  0.00           C  
HETATM   27  S   UNL     1      -2.501  -1.465   0.000  1.00  0.00           S  
HETATM   28  O   UNL     1      -2.913  -0.750   0.000  1.00  0.00           O  
HETATM   29  N   UNL     1      -2.088  -2.179   0.000  1.00  0.00           N  
HETATM   30  O   UNL     1      -3.215  -1.877   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -2.424  -2.933   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.811  -3.485   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.096  -3.073   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.268  -2.266   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.786  -2.290   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4   18                                            
CONECT    4    3    5   26                                            
CONECT    5    4    6   25                                            
CONECT    6    5    1   24                                            
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    2                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   27                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    3   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   35                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24    6                                                      
CONECT   25    5                                                      
CONECT   26    4                                                      
CONECT   27   14   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27   31   34                                            
CONECT   30   27                                                      
CONECT   31   29   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   21                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0R6LF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.123  -0.938   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.123  -1.763   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.408  -2.175   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.694  -1.763   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.694  -0.938   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.408  -0.525   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.091  -2.018   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       0.576  -1.350   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       0.091  -0.683   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.805  -0.270   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.520  -0.683   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.234  -0.270   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       2.949  -0.683   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       3.663  -0.270   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.322   0.032   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.091   0.746   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.322   1.461   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.147   1.461   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.559   0.746   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.147   0.032   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1      -1.559   2.175   0.000  1.00  0.00           F  
HETATM   22  C   UNL     1       2.949  -1.508   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.838  -2.175   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.663  -2.175   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   23                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   10   15                                       
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   22                                            
CONECT   14   13                                                      
CONECT   15    9   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18                                                      
CONECT   22   13                                                      
CONECT   23    2   24                                                 
CONECT   24   23                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0R6RT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.052   0.411   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.052  -0.411   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.340  -0.822   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.628  -0.411   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.628   0.411   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.340   0.822   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.916  -0.822   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.204  -0.411   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.204   0.411   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.916   0.822   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.780   0.411   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.068   0.822   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       6.052   0.822   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       4.628  -0.822   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       5.340  -0.411   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       5.340   0.411   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       4.628   0.822   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       2.492  -0.411   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.204  -0.822   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.916  -0.411   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.916   0.411   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.204   0.822   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.492   0.411   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       1.780   0.822   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       1.068   0.411   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.356   0.822   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.356   0.411   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.492   0.822   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   28                                            
CONECT   10    9    5                                                 
CONECT   11   12   28                                                 
CONECT   12   11   27                                                 
CONECT   13   16                                                      
CONECT   14   20   15                                                 
CONECT   15   14   16                                                 
CONECT   16   13   15   17                                            
CONECT   17   16   21                                                 
CONECT   18   23   19                                                 
CONECT   19   18   20                                                 
CONECT   20   14   19   21                                            
CONECT   21   17   20   22                                            
CONECT   22   21   23                                                 
CONECT   23   18   22   24                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   12   26                                                 
CONECT   28   11    9                                                 
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0R7CP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.998  -2.064   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.998  -2.889   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.283  -3.301   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.569  -2.889   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.569  -2.064   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.283  -1.651   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.712  -1.651   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.855  -1.651   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.140  -2.064   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       0.575  -1.651   0.000  1.00  0.00           C  
HETATM   11 BR   UNL     1      -2.283  -0.826   0.000  1.00  0.00          Br  
HETATM   12  C   UNL     1       1.289  -2.064   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.003  -1.651   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.003  -0.826   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.289  -0.414   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.575  -0.826   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.289   0.411   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       0.575   0.824   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.575   1.649   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.289   2.061   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.289   2.886   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       0.575   3.299   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.140   2.886   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.140   2.061   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.718  -0.414   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       3.432  -0.826   0.000  1.00  0.00           N  
HETATM   27 CL   UNL     1       1.289  -2.889   0.000  1.00  0.00          Cl  
HETATM   28  C   UNL     1      -3.712  -0.826   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.427  -0.414   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.141  -0.826   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.141  -1.651   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.427  -2.064   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.519  -1.647   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.326  -1.818   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.738  -1.104   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.186  -0.491   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1       4.661  -2.572   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1       4.558   0.093   0.000  1.00  0.00           C  
HETATM   39  O   UNL     1       5.141  -0.490   0.000  1.00  0.00           O  
HETATM   40  O   UNL     1       3.773  -0.162   0.000  1.00  0.00           O  
HETATM   41  C   UNL     1       2.002   3.301   0.000  1.00  0.00           C  
HETATM   42  N   UNL     1       2.827   3.301   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1   11                                            
CONECT    7    1   28   32                                            
CONECT    8    5    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   12   16                                            
CONECT   11    6                                                      
CONECT   12   10   13   27                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   25                                            
CONECT   15   14   16   17                                            
CONECT   16   15   10                                                 
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   41                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   14   26                                                 
CONECT   26   25   33   36                                            
CONECT   27   12                                                      
CONECT   28    7   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31    7                                                 
CONECT   33   26   34                                                 
CONECT   34   33   35   37                                            
CONECT   35   34   36                                                 
CONECT   36   35   26   38                                            
CONECT   37   34                                                      
CONECT   38   36   39   40                                            
CONECT   39   38                                                      
CONECT   40   38                                                      
CONECT   41   21   42                                                 
CONECT   42   41                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D0R7ED
  -OEChem-09301911242D

 67 70  0     1  0  0  0  0  0999 V2000
    7.7473    4.3136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2473   -1.2252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2473   -3.2252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7114   -4.2252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7114   -6.2252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9839    6.7407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4383    3.3626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0563    3.3626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9793   -4.2252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    5.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9136    6.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0827    4.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    6.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1045    5.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5772    5.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1650    5.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1595    5.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9785    6.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5662    6.0362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7473    4.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2473    1.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3813    0.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2473    2.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2473   -0.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1133    0.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3813    1.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1133    1.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5152   -0.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1133   -2.7252    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1133   -1.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9793   -3.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9793   -0.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6492    0.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8454   -4.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8454   -5.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8049    6.3014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4151    6.8302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6035    7.0027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8911    4.2669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6491    4.6044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084    6.6487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3936    5.9301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4845    5.0645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0397    4.4479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9128    4.4517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2306    7.4116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1828    6.1010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8443    1.5848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6502    1.5848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1167   -0.7002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9138   -0.7002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1133   -3.3452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7239   -1.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3254   -1.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5899   -3.3329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1914   -2.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6693   -0.7621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5163   -0.5352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2893    0.3117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9592    0.8117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1123    0.5848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3392   -0.2621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4424   -4.5352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2473   -3.8452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2348   -5.6175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6333   -6.3078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7114   -6.8452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 20  1  0  0  0  0
  2 24  1  0  0  0  0
  2 30  1  0  0  0  0
 29  3  1  6  0  0  0
  3 64  1  0  0  0  0
  4 34  2  0  0  0  0
  5 35  1  0  0  0  0
  5 67  1  0  0  0  0
  6 15  2  0  0  0  0
  6 18  1  0  0  0  0
  7 20  2  0  0  0  0
  7 23  1  0  0  0  0
  8 23  2  0  0  0  0
  9 31  1  0  0  0  0
  9 34  1  0  0  0  0
  9 63  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 36  1  0  0  0  0
 11 13  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 14  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 45  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 18 46  1  0  0  0  0
 19 47  1  0  0  0  0
 21 23  1  0  0  0  0
 21 26  2  0  0  0  0
 21 27  1  0  0  0  0
 22 24  2  0  0  0  0
 22 26  1  0  0  0  0
 22 28  1  0  0  0  0
 24 25  1  0  0  0  0
 25 27  2  0  0  0  0
 25 32  1  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 33  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 52  1  0  0  0  0
 30 53  1  0  0  0  0
 30 54  1  0  0  0  0
 31 55  1  0  0  0  0
 31 56  1  0  0  0  0
 32 57  1  0  0  0  0
 32 58  1  0  0  0  0
 32 59  1  0  0  0  0
 33 60  1  0  0  0  0
 33 61  1  0  0  0  0
 33 62  1  0  0  0  0
 34 35  1  0  0  0  0
 35 65  1  0  0  0  0
 35 66  1  0  0  0  0
M  END

$$$$
D0R7UI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.077  -2.640   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.789  -3.051   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.501  -2.640   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.213  -3.051   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.925  -2.640   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.637  -3.051   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.349  -2.640   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.061  -3.051   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -5.077  -1.818   0.000  1.00  0.00           O  
HETATM   10  C   ACE A   0      -4.365  -3.051   0.000  1.00  0.00           C  
HETATM   11  CB  UNL     1      -2.941  -3.873   0.000  1.00  0.00           C  
HETATM   12  CA  UNL     1      -2.941  -3.051   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.229  -2.640   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.653  -2.640   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1      -2.229  -1.818   0.000  1.00  0.00           O  
HETATM   16  CG  UNL     1      -3.653  -4.284   0.000  1.00  0.00           C  
HETATM   17  CD  UNL     1      -3.653  -5.106   0.000  1.00  0.00           C  
HETATM   18  OE1 UNL     1      -2.941  -5.517   0.000  1.00  0.00           O  
HETATM   19  NE2 UNL     1      -4.365  -5.517   0.000  1.00  0.00           N  
HETATM   20  CB  UNL     1      -0.805  -1.818   0.000  1.00  0.00           C  
HETATM   21  CA  UNL     1      -0.805  -2.640   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.093  -3.051   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.517  -3.051   0.000  1.00  0.00           N  
HETATM   24  O   UNL     1      -0.093  -3.873   0.000  1.00  0.00           O  
HETATM   25  OG1 UNL     1      -0.093  -1.407   0.000  1.00  0.00           O  
HETATM   26  CG2 UNL     1      -1.517  -1.407   0.000  1.00  0.00           C  
HETATM   27  HA  UNL     1      -0.805  -3.462   0.000  1.00  0.00           H  
HETATM   28  CB  UNL     1       1.331  -3.873   0.000  1.00  0.00           C  
HETATM   29  CA  UNL     1       1.331  -3.051   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.043  -2.640   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       0.619  -2.640   0.000  1.00  0.00           N  
HETATM   32  O   UNL     1       2.043  -1.818   0.000  1.00  0.00           O  
HETATM   33  CB  UNL     1       3.467  -1.818   0.000  1.00  0.00           C  
HETATM   34  CA  UNL     1       3.467  -2.640   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.179  -3.051   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1       2.755  -3.051   0.000  1.00  0.00           N  
HETATM   37  O   UNL     1       4.179  -3.873   0.000  1.00  0.00           O  
HETATM   38  O   UNL     1       4.179  -1.407   0.000  1.00  0.00           O  
HETATM   39  CB  UNL     1       5.603  -3.873   0.000  1.00  0.00           C  
HETATM   40  CA  UNL     1       5.603  -3.051   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       6.315  -2.640   0.000  1.00  0.00           C  
HETATM   42  N   UNL     1       4.891  -2.640   0.000  1.00  0.00           N  
HETATM   43  O   UNL     1       6.315  -1.818   0.000  1.00  0.00           O  
HETATM   44  CG2 UNL     1       4.891  -4.284   0.000  1.00  0.00           C  
HETATM   45  CG1 UNL     1       6.315  -4.284   0.000  1.00  0.00           C  
HETATM   46  CD1 UNL     1       6.315  -5.106   0.000  1.00  0.00           C  
HETATM   47  HA  UNL     1       5.603  -2.229   0.000  1.00  0.00           H  
HETATM   48  C   UNL     1       7.949  -1.912   0.000  1.00  0.00           C  
HETATM   49  N   UNL     1       7.027  -3.051   0.000  1.00  0.00           N  
HETATM   50  CA  UNL     1       7.778  -2.716   0.000  1.00  0.00           C  
HETATM   51  CB  UNL     1       8.328  -3.327   0.000  1.00  0.00           C  
HETATM   52  CG  UNL     1       7.917  -4.039   0.000  1.00  0.00           C  
HETATM   53  CD  UNL     1       7.113  -3.868   0.000  1.00  0.00           C  
HETATM   54  O   UNL     1       7.338  -1.362   0.000  1.00  0.00           O  
HETATM   55  C   UNL     1       8.502  -0.211   0.000  1.00  0.00           C  
HETATM   56  N   UNL     1       8.731  -1.658   0.000  1.00  0.00           N  
HETATM   57  CA  UNL     1       8.985  -0.876   0.000  1.00  0.00           C  
HETATM   58  CB  UNL     1       9.807  -0.876   0.000  1.00  0.00           C  
HETATM   59  CG  UNL     1      10.061  -1.658   0.000  1.00  0.00           C  
HETATM   60  CD  UNL     1       9.396  -2.141   0.000  1.00  0.00           C  
HETATM   61  O   UNL     1       8.836   0.540   0.000  1.00  0.00           O  
HETATM   62  CB  UNL     1       7.535   1.119   0.000  1.00  0.00           C  
HETATM   63  CA  UNL     1       7.201   0.368   0.000  1.00  0.00           C  
HETATM   64  C   UNL     1       6.383   0.282   0.000  1.00  0.00           C  
HETATM   65  N   UNL     1       7.684  -0.297   0.000  1.00  0.00           N  
HETATM   66  O   UNL     1       6.049  -0.469   0.000  1.00  0.00           O  
HETATM   67  CG  UNL     1       8.353   1.205   0.000  1.00  0.00           C  
HETATM   68  CD  UNL     1       8.687   1.956   0.000  1.00  0.00           C  
HETATM   69  OE1 UNL     1       9.505   2.042   0.000  1.00  0.00           O  
HETATM   70  NE2 UNL     1       8.204   2.621   0.000  1.00  0.00           N  
HETATM   71  CB  UNL     1       4.748   0.110   0.000  1.00  0.00           C  
HETATM   72  CA  UNL     1       5.082   0.861   0.000  1.00  0.00           C  
HETATM   73  C   UNL     1       4.599   1.526   0.000  1.00  0.00           C  
HETATM   74  N   UNL     1       5.900   0.947   0.000  1.00  0.00           N  
HETATM   75  O   UNL     1       4.933   2.277   0.000  1.00  0.00           O  
HETATM   76  OG1 UNL     1       5.231  -0.555   0.000  1.00  0.00           O  
HETATM   77  CG2 UNL     1       3.930   0.024   0.000  1.00  0.00           C  
HETATM   78  HA  UNL     1       5.417   1.612   0.000  1.00  0.00           H  
HETATM   79  CB  UNL     1       3.632   2.857   0.000  1.00  0.00           C  
HETATM   80  CA  UNL     1       3.298   2.106   0.000  1.00  0.00           C  
HETATM   81  C   UNL     1       2.480   2.020   0.000  1.00  0.00           C  
HETATM   82  N   UNL     1       3.781   1.440   0.000  1.00  0.00           N  
HETATM   83  O   UNL     1       1.997   2.685   0.000  1.00  0.00           O  
HETATM   84  CG  UNL     1       3.149   3.522   0.000  1.00  0.00           C  
HETATM   85  CD1 UNL     1       2.332   3.436   0.000  1.00  0.00           C  
HETATM   86  CE1 UNL     1       1.848   4.101   0.000  1.00  0.00           C  
HETATM   87  CZ  UNL     1       2.183   4.852   0.000  1.00  0.00           C  
HETATM   88  CE2 UNL     1       3.000   4.938   0.000  1.00  0.00           C  
HETATM   89  CD2 UNL     1       3.484   4.273   0.000  1.00  0.00           C  
HETATM   90  OH  UNL     1       1.700   5.517   0.000  1.00  0.00           O  
CONECT    1   10    2    9                                            
CONECT    2    3    1                                                 
CONECT    3    4    2                                                 
CONECT    4    5    3                                                 
CONECT    5    6    4                                                 
CONECT    6    7    5                                                 
CONECT    7    8    6                                                 
CONECT    8    7                                                      
CONECT    9    1                                                      
CONECT   10   14    1                                                 
CONECT   11   16   12                                                 
CONECT   12   13   14   11                                            
CONECT   13   15   23   12                                            
CONECT   14   12   10                                                 
CONECT   15   13                                                      
CONECT   16   17   11                                                 
CONECT   17   18   19   16                                            
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20   26   25   21                                            
CONECT   21   27   22   23   20                                       
CONECT   22   31   24   21                                            
CONECT   23   21   13                                                 
CONECT   24   22                                                      
CONECT   25   20                                                      
CONECT   26   20                                                      
CONECT   27   21                                                      
CONECT   28   29                                                      
CONECT   29   31   30   28                                            
CONECT   30   36   32   29                                            
CONECT   31   29   22                                                 
CONECT   32   30                                                      
CONECT   33   34   38                                                 
CONECT   34   36   35   33                                            
CONECT   35   37   42   34                                            
CONECT   36   34   30                                                 
CONECT   37   35                                                      
CONECT   38   33                                                      
CONECT   39   45   40   44                                            
CONECT   40   47   42   41   39                                       
CONECT   41   43   49   40                                            
CONECT   42   40   35                                                 
CONECT   43   41                                                      
CONECT   44   39                                                      
CONECT   45   46   39                                                 
CONECT   46   45                                                      
CONECT   47   40                                                      
CONECT   48   56   50   54                                            
CONECT   49   53   50   41                                            
CONECT   50   51   49   48                                            
CONECT   51   52   50                                                 
CONECT   52   53   51                                                 
CONECT   53   52   49                                                 
CONECT   54   48                                                      
CONECT   55   57   61   65                                            
CONECT   56   57   60   48                                            
CONECT   57   58   56   55                                            
CONECT   58   59   57                                                 
CONECT   59   60   58                                                 
CONECT   60   59   56                                                 
CONECT   61   55                                                      
CONECT   62   63   67                                                 
CONECT   63   65   64   62                                            
CONECT   64   66   74   63                                            
CONECT   65   63   55                                                 
CONECT   66   64                                                      
CONECT   67   68   62                                                 
CONECT   68   69   70   67                                            
CONECT   69   68                                                      
CONECT   70   68                                                      
CONECT   71   77   76   72                                            
CONECT   72   78   73   74   71                                       
CONECT   73   82   75   72                                            
CONECT   74   72   64                                                 
CONECT   75   73                                                      
CONECT   76   71                                                      
CONECT   77   71                                                      
CONECT   78   72                                                      
CONECT   79   84   80                                                 
CONECT   80   82   81   79                                            
CONECT   81   83   80                                                 
CONECT   82   80   73                                                 
CONECT   83   81                                                      
CONECT   84   85   89   79                                            
CONECT   85   86   84                                                 
CONECT   86   87   85                                                 
CONECT   87   90   88   86                                            
CONECT   88   89   87                                                 
CONECT   89   88   84                                                 
CONECT   90   87                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
M  END

$$$$
D0R7YI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -8.216   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.216  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.502  -1.031   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -6.787  -0.619   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -6.787   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.502   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.073  -1.031   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.359  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.644  -1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.930  -0.619   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.930   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.644   0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.359   0.206   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.215   0.619   0.000  1.00  0.00           O  
HETATM   15 BR   UNL     1      -3.215  -1.031   0.000  1.00  0.00          Br  
HETATM   16  C   UNL     1      -2.501   0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.786   0.619   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.072   0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.357   0.619   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.357   1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.072   1.856   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.786   1.444   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.357   0.206   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.072  -0.619   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.357  -0.619   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.072  -1.031   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.786  -0.619   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.786   0.206   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.072   0.619   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.072   1.444   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.501   0.619   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       3.215   0.206   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       3.930   0.619   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.644   0.206   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       5.359   0.619   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       5.359   1.444   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.644   1.856   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       3.930   1.444   0.000  1.00  0.00           C  
HETATM   39 BR   UNL     1       3.215   1.856   0.000  1.00  0.00          Br  
HETATM   40  C   UNL     1       6.073   1.856   0.000  1.00  0.00           C  
HETATM   41  N   UNL     1       6.787   1.444   0.000  1.00  0.00           N  
HETATM   42  C   UNL     1       6.787   0.619   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       7.502   0.206   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       8.216   0.619   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1       8.216   1.444   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1       7.502   1.856   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1      -7.502  -1.856   0.000  1.00  0.00           C  
HETATM   48  O   UNL     1      -6.787  -2.269   0.000  1.00  0.00           O  
HETATM   49  O   UNL     1      -8.216  -2.269   0.000  1.00  0.00           O  
HETATM   50  C   UNL     1       7.500   2.269   0.000  1.00  0.00           C  
HETATM   51  O   UNL     1       8.214   1.856   0.000  1.00  0.00           O  
HETATM   52  O   UNL     1       6.785   1.856   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   47                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   16                                                 
CONECT   15   10                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19   24                                            
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   19   25   29                                            
CONECT   24   18                                                      
CONECT   25   23   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   23   30                                            
CONECT   30   29                                                      
CONECT   31   28   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   38                                            
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37   40                                            
CONECT   37   36   38                                                 
CONECT   38   37   33   39                                            
CONECT   39   38                                                      
CONECT   40   36   41                                                 
CONECT   41   40   42   46                                            
CONECT   42   41   43                                                 
CONECT   43   42   44                                                 
CONECT   44   43   45                                                 
CONECT   45   44   46                                                 
CONECT   46   45   41   50                                            
CONECT   47    3   48   49                                            
CONECT   48   47                                                      
CONECT   49   47                                                      
CONECT   50   46   51   52                                            
CONECT   51   50                                                      
CONECT   52   50                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
M  END

$$$$
D0R8CR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.072   3.381   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.072   2.556   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.786   2.143   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       2.501   2.556   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.501   3.381   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       1.786   3.793   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       0.357   3.793   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.357   3.381   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.357   2.556   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.357   2.143   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1      -1.072   2.143   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.072   1.318   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.786   0.906   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.786   0.081   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.072  -0.332   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.357   0.081   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.357   0.906   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.786   1.318   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.072   0.906   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.072   0.081   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       1.786  -0.332   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       2.501   0.081   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.501   0.906   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.786   4.618   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       3.215   3.793   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       3.215   2.143   0.000  1.00  0.00           C  
HETATM   27  S   UNL     1      -2.501  -0.332   0.000  1.00  0.00           S  
HETATM   28  O   UNL     1      -2.913   0.383   0.000  1.00  0.00           O  
HETATM   29  N   UNL     1      -2.088  -1.046   0.000  1.00  0.00           N  
HETATM   30  O   UNL     1      -3.215  -0.744   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -2.501  -1.761   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.088  -2.475   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1      -1.263  -2.475   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1      -0.851  -1.761   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.263  -1.046   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.851  -3.189   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.264  -3.904   0.000  1.00  0.00           C  
HETATM   38  F   UNL     1      -0.549  -4.316   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1      -1.676  -4.618   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1      -1.978  -3.491   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4   18                                            
CONECT    4    3    5   26                                            
CONECT    5    4    6   25                                            
CONECT    6    5    1   24                                            
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    2                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   27                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    3   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24    6                                                      
CONECT   25    5                                                      
CONECT   26    4                                                      
CONECT   27   14   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27   31   35                                            
CONECT   30   27                                                      
CONECT   31   29   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   36                                            
CONECT   34   33   35                                                 
CONECT   35   34   29                                                 
CONECT   36   33   37                                                 
CONECT   37   36   38   39   40                                       
CONECT   38   37                                                      
CONECT   39   37                                                      
CONECT   40   37                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0R8DW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.791   0.240   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.791  -0.585   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.076  -0.997   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.362  -0.585   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.362   0.240   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.076   0.653   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.404  -1.137   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.068  -1.890   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.248  -1.804   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.211  -0.965   0.000  1.00  0.00           C  
HETATM   11  F   UNL     1       0.353  -0.997   0.000  1.00  0.00           F  
HETATM   12  C   UNL     1      -1.076   1.478   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.791   1.890   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.362   1.890   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1       0.353   0.653   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.067   0.240   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.067  -0.585   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.782  -0.997   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.496  -0.585   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.496   0.240   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.782   0.653   0.000  1.00  0.00           C  
HETATM   22  F   UNL     1       1.782   1.478   0.000  1.00  0.00           F  
HETATM   23 BR   UNL     1       3.211  -0.997   0.000  1.00  0.00          Br  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5   11                                            
CONECT    5    4    6   15                                            
CONECT    6    5    1   12                                            
CONECT    7    2    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    3                                                 
CONECT   10    7                                                      
CONECT   11    4                                                      
CONECT   12    6   13   14                                            
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15    5   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   16   22                                            
CONECT   22   21                                                      
CONECT   23   19                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0R8GA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.566   0.034   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.148  -0.379   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.863   0.034   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       1.577  -0.379   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.292   0.034   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       0.863   0.859   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -0.653   0.855   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.460   1.026   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.872   0.312   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.320  -0.301   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.692   0.225   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.177   0.893   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.998   0.807   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.333   0.053   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.849  -0.615   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.028  -0.528   0.000  1.00  0.00           C  
HETATM   17  F   UNL     1      -2.543  -1.196   0.000  1.00  0.00           F  
HETATM   18  C   UNL     1       3.006  -0.378   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.720   0.034   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.720   0.859   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.006   1.272   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.292   0.859   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.178  -1.185   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       3.998  -1.272   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1       4.333  -0.518   0.000  1.00  0.00           N  
CONECT    1    2    7   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4   18   22                                            
CONECT    6    3                                                      
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    1                                                 
CONECT   11    9   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11   17                                            
CONECT   17   16                                                      
CONECT   18    5   19   23                                            
CONECT   19   18   20   25                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21    5                                                 
CONECT   23   18   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   19                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0R8GK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.447   0.365   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.447  -0.460   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.268  -0.872   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.982  -0.460   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.982   0.365   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.268   0.778   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       1.696   0.778   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       2.411   0.365   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.125   0.778   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.879   0.442   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       4.431   1.055   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1       4.019   1.770   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       3.212   1.598   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.599   2.150   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.051  -0.365   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.438  -0.917   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.609  -1.724   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       4.394  -1.979   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       5.007  -1.427   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.835  -0.620   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1       5.448  -0.068   0.000  1.00  0.00          Cl  
HETATM   22 CL   UNL     1       2.653  -0.662   0.000  1.00  0.00          Cl  
HETATM   23 CL   UNL     1       0.268  -1.697   0.000  1.00  0.00          Cl  
HETATM   24  C   UNL     1      -1.161  -0.872   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.876  -0.460   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.590  -0.872   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.305  -0.460   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.019  -0.872   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.019  -1.697   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.305  -2.110   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.590  -1.697   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.734  -2.110   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1      -5.448  -1.697   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1      -4.734  -2.935   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1      -1.161  -0.047   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.344   2.935   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       1.792   2.322   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   24                                            
CONECT    3    2    4   23                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    9   14                                            
CONECT   14   13   36   37                                            
CONECT   15   10   16   20                                            
CONECT   16   15   17   22                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
CONECT   22   16                                                      
CONECT   23    3                                                      
CONECT   24    2   25   35                                            
CONECT   25   24   26   35                                            
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   29   33   34                                            
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   24   25                                                 
CONECT   36   14   37                                                 
CONECT   37   36   14                                                 
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0R8OW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  O   UNL     1      -1.862  -1.248   0.000  1.00  0.00           O  
HETATM    2  N   UNL     1      -1.648  -2.045   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.825  -2.088   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.529  -1.318   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.170  -0.799   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.268  -1.105   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.851  -1.688   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.648  -1.475   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.862  -0.678   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.278  -0.094   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.482  -0.308   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.170   0.026   0.000  1.00  0.00           N  
HETATM   13  S   UNL     1      -0.456   0.438   0.000  1.00  0.00           S  
HETATM   14  C   UNL     1       0.259   0.851   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.868   1.153   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1      -0.043  -0.276   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       0.974   0.438   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.688   0.851   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.688   1.676   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.974   2.088   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.259   1.676   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    1   12                                            
CONECT    6    4    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    6                                                 
CONECT   12    5   13                                                 
CONECT   13   12   14   15   16                                       
CONECT   14   13   17   21                                            
CONECT   15   13                                                      
CONECT   16   13                                                      
CONECT   17   14   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   14                                                 
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0R8UO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.988   0.100   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.400   0.815   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.181   0.272   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.094   1.092   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.848   1.428   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.380   1.505   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.665   1.092   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.951   1.505   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.951   2.330   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.665   2.742   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.380   2.330   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -3.094   2.742   0.000  1.00  0.00          Cl  
HETATM   13  N   UNL     1      -0.237   1.092   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.478   1.505   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.323  -0.654   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.144  -0.740   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.479  -1.493   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.994  -2.161   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.174  -2.075   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.838  -1.321   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.192   1.092   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       0.478   2.330   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.192   0.267   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.907  -0.145   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.621   0.267   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.621   1.092   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.907   1.505   0.000  1.00  0.00           C  
HETATM   28 CL   UNL     1       1.907   2.330   0.000  1.00  0.00          Cl  
HETATM   29  N   UNL     1       3.336  -0.145   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       3.336  -0.970   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.050  -1.383   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       4.765  -0.970   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       4.765  -0.145   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.050   0.267   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       5.479  -1.383   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       5.479   0.267   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.050  -2.208   0.000  1.00  0.00           C  
HETATM   38  S   UNL     1      -3.689  -2.742   0.000  1.00  0.00           S  
CONECT    1    2    3   15                                            
CONECT    2    1    5                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    2                                                 
CONECT    6    4    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    6   12                                            
CONECT   12   11                                                      
CONECT   13    8   14                                                 
CONECT   14   13   21   22                                            
CONECT   15    1   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   38                                            
CONECT   20   19   15                                                 
CONECT   21   14   23   27                                            
CONECT   22   14                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   21   28                                            
CONECT   28   27                                                      
CONECT   29   25   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32   37                                            
CONECT   32   31   33   35                                            
CONECT   33   32   34   36                                            
CONECT   34   33   29                                                 
CONECT   35   32                                                      
CONECT   36   33                                                      
CONECT   37   31                                                      
CONECT   38   19                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0R8XD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858   1.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858   1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143   0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429   1.031   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.429   1.856   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.143   2.269   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.143   3.094   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.715   0.619   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       0.000   1.031   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1      -0.715  -0.206   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.000  -0.619   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.715  -0.206   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       0.715   0.619   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1       1.429  -0.619   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       2.143  -0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.143   0.619   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.429   1.031   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.858   1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.858  -0.619   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.858  -1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.143   1.444   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       3.572   0.619   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       3.572   1.444   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.000  -1.444   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.715  -1.856   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.429  -1.444   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.143  -1.856   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.143  -2.681   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.429  -3.094   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.715  -2.681   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.143  -1.856   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.143  -2.681   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.858  -3.094   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.572  -2.681   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.572  -1.856   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1      -2.858  -3.094   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1      -3.572  -2.681   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    4    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12   24                                            
CONECT   12   11   13   14                                            
CONECT   13   12                                                      
CONECT   14   12   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   21   22   23                                       
CONECT   19   15   20                                                 
CONECT   20   19   31   35                                            
CONECT   21   18                                                      
CONECT   22   18   23                                                 
CONECT   23   22   18                                                 
CONECT   24   11   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   36                                            
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   20   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   20                                                 
CONECT   36   28   37                                                 
CONECT   37   36                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0R9HP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.182   0.547   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.182  -0.278   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.897  -0.691   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.897  -1.516   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.182  -1.928   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.468  -1.516   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.468  -0.691   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.683  -1.771   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.198  -1.103   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.683  -0.436   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.469   0.361   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.271  -2.485   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.608  -3.238   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.004  -3.792   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.719  -3.381   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       0.550  -2.574   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.516  -3.595   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.100  -3.011   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.897  -3.225   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       1.730  -4.391   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1       0.356   0.361   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1      -0.882   1.075   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       0.817   1.075   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       1.640   1.121   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       1.852   1.918   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.158   2.366   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       0.519   1.845   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       2.586   2.295   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.626   3.119   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.933   3.566   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.199   3.190   0.000  1.00  0.00           C  
HETATM   32 CL   UNL     1       1.933   4.391   0.000  1.00  0.00          Cl  
CONECT    1    2                                                      
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7    8                                            
CONECT    7    6    2   10                                            
CONECT    8    6    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9    7   11                                            
CONECT   11   10   21   22                                            
CONECT   12    8   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   12                                                 
CONECT   17   15   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18                                                      
CONECT   20   17                                                      
CONECT   21   11   23                                                 
CONECT   22   11                                                      
CONECT   23   21   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27   31                                            
CONECT   27   26   23                                                 
CONECT   28   25   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30   26                                                 
CONECT   32   30                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0R9MA
  -OEChem-09301911282D

 93 94  0     1  0  0  0  0  0999 V2000
    6.8671    2.9400    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -4.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -5.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -3.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -5.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613   -1.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    6.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3933   -1.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273   -0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    6.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.5600    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3312   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -4.5600    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4651   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.0600    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3312   -4.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -4.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -6.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -7.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    4.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    4.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    5.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -3.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7112   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -4.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9512   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5072   -3.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8872   -2.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656   -3.5850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685   -3.5850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681   -1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5957    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7987    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025   -5.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996   -5.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -5.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -3.5850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -3.5850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9885    2.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3871    1.3574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3322    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -2.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2471   -7.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -7.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4871   -7.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    3.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    4.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -5.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    7.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    6.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9303   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3933   -2.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0643    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    7.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 41  1  0  0  0  0
  2 21  2  0  0  0  0
  3 26  2  0  0  0  0
  4 29  2  0  0  0  0
  5 32  2  0  0  0  0
 18  6  1  6  0  0  0
  6 26  1  0  0  0  0
  6 52  1  0  0  0  0
  7 21  1  0  0  0  0
 22  7  1  6  0  0  0
  7 62  1  0  0  0  0
 20  8  1  1  0  0  0
  8 32  1  0  0  0  0
  8 67  1  0  0  0  0
  9 29  1  0  0  0  0
  9 35  1  0  0  0  0
  9 70  1  0  0  0  0
 10 31  1  0  0  0  0
 10 43  2  0  0  0  0
 11 40  1  0  0  0  0
 11 48  2  0  0  0  0
 12 43  1  0  0  0  0
 12 83  1  0  0  0  0
 12 84  1  0  0  0  0
 13 43  1  0  0  0  0
 13 85  1  0  0  0  0
 13 86  1  0  0  0  0
 14 47  1  0  0  0  0
 14 87  1  0  0  0  0
 14 88  1  0  0  0  0
 15 48  1  0  0  0  0
 15 89  1  0  0  0  0
 15 90  1  0  0  0  0
 16 48  1  0  0  0  0
 16 91  1  0  0  0  0
 16 92  1  0  0  0  0
 17 47  2  0  0  0  0
 17 93  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 18 49  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 50  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  1  0  0  0  0
 20 51  1  0  0  0  0
 22 27  1  0  0  0  0
 22 29  1  0  0  0  0
 22 53  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
 23 56  1  0  0  0  0
 24 57  1  0  0  0  0
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 25 28  1  0  0  0  0
 25 60  1  0  0  0  0
 25 61  1  0  0  0  0
 27 30  1  0  0  0  0
 27 63  1  0  0  0  0
 27 64  1  0  0  0  0
 28 31  1  0  0  0  0
 28 65  1  0  0  0  0
 28 66  1  0  0  0  0
 30 33  2  0  0  0  0
 30 34  1  0  0  0  0
 31 68  1  0  0  0  0
 31 69  1  0  0  0  0
 32 39  1  0  0  0  0
 33 36  1  0  0  0  0
 33 71  1  0  0  0  0
 34 37  2  0  0  0  0
 34 72  1  0  0  0  0
 35 38  1  0  0  0  0
 35 73  1  0  0  0  0
 35 74  1  0  0  0  0
 36 40  2  0  0  0  0
 36 75  1  0  0  0  0
 37 40  1  0  0  0  0
 37 76  1  0  0  0  0
 38 41  2  0  0  0  0
 38 42  1  0  0  0  0
 39 77  1  0  0  0  0
 39 78  1  0  0  0  0
 39 79  1  0  0  0  0
 41 44  1  0  0  0  0
 42 45  2  0  0  0  0
 42 80  1  0  0  0  0
 44 46  2  0  0  0  0
 44 81  1  0  0  0  0
 45 46  1  0  0  0  0
 45 82  1  0  0  0  0
 46 47  1  0  0  0  0
M  END

$$$$
D0R9PD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.181   1.713   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.181   0.888   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.466   0.475   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.752   0.888   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.752   1.713   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.466   2.126   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.037   0.475   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.951  -0.345   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.144  -0.516   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.269   0.198   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.283   0.811   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.564  -0.897   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.349  -0.642   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.962  -1.194   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.790  -2.001   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.006  -2.256   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.393  -1.704   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.089   0.284   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.574  -0.383   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       1.425   1.038   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.245   1.124   0.000  1.00  0.00           C  
HETATM   22 CL   UNL     1      -3.895   2.126   0.000  1.00  0.00          Cl  
HETATM   23 CL   UNL     1      -0.608  -1.959   0.000  1.00  0.00          Cl  
HETATM   24  C   UNL     1      -0.112   1.618   0.000  1.00  0.00           C  
HETATM   25 CL   UNL     1      -3.403  -2.553   0.000  1.00  0.00          Cl  
HETATM   26  C   UNL     1       2.658   1.839   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.483   1.839   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       3.895   1.124   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       2.245   2.553   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       3.895   2.553   0.000  1.00  0.00           O  
HETATM   31  N   UNL     1       3.483   0.410   0.000  1.00  0.00           N  
CONECT    1    2    6   22                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   18                                            
CONECT   11   10    7   24                                            
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   25                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   23                                            
CONECT   18   10   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   21                                                 
CONECT   21   20   26                                                 
CONECT   22    1                                                      
CONECT   23   17                                                      
CONECT   24   11                                                      
CONECT   25   15                                                      
CONECT   26   21   27   29                                            
CONECT   27   26   28   30                                            
CONECT   28   27   31                                                 
CONECT   29   26                                                      
CONECT   30   27                                                      
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0R9RK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.653  -0.145   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.653  -0.970   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.062  -1.382   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.776  -0.970   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.776  -0.145   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.062   0.268   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.491   0.268   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.244  -0.068   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1       2.796   0.545   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1       2.384   1.260   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1       1.577   1.088   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.062   1.093   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.776   1.505   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.776   2.330   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.062   2.743   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.653   2.330   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.653   1.505   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.359  -1.553   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.230  -2.368   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.966  -2.743   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.549  -2.159   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.174  -1.424   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.367   0.268   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.082  -0.145   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.082  -0.970   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.367  -1.382   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.796   0.268   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.491   2.743   0.000  1.00  0.00           C  
CONECT    1    2    6   23                                            
CONECT    2    1    3   26                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   18                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1   12                                            
CONECT    7    5    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    7                                                 
CONECT   12    6   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   28                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    4   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   18                                                 
CONECT   23    1   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25    2                                                 
CONECT   27   24                                                      
CONECT   28   14                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0R9RP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.109  -0.021   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.605   0.391   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.320  -0.021   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       2.034   0.391   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1       0.605   1.216   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1       2.749  -0.021   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.463   0.391   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.463   1.216   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.749   1.629   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.034   1.216   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.920  -0.828   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.741  -0.914   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       4.076  -0.161   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       4.153  -1.629   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -3.026  -0.081   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.026  -0.906   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.311  -1.319   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.597  -0.906   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.597  -0.081   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.311   0.331   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.984   0.471   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.319   1.224   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.140   1.138   0.000  1.00  0.00           C  
HETATM   24  H   UNL     1      -3.740  -1.319   0.000  1.00  0.00           H  
HETATM   25  C   UNL     1      -3.741   0.331   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1      -3.328   1.046   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1      -3.026  -0.081   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -4.153  -0.383   0.000  1.00  0.00           F  
CONECT    1    2   21                                                 
CONECT    2    1    3    5                                            
CONECT    3    2    4                                                 
CONECT    4    3    6   10                                            
CONECT    5    2                                                      
CONECT    6    4    7   11                                            
CONECT    7    6    8   13                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    6   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    7                                                 
CONECT   14   12                                                      
CONECT   15   16   20   25                                            
CONECT   16   15   17   24                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   15   23                                            
CONECT   21   19   22    1                                            
CONECT   22   21   23                                                 
CONECT   23   22   20                                                 
CONECT   24   16                                                      
CONECT   25   15   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0RA0D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.229  -0.825   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.515  -1.238   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.200  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.914  -1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.629  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.629   0.000   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.914   0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.200   0.000   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.343   0.412   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       2.343   1.238   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1       3.058   0.000   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1       3.772   0.412   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.535  -0.547   0.000  1.00  0.00           C  
HETATM   14  S   UNL     1      -1.983  -1.161   0.000  1.00  0.00           S  
HETATM   15  C   UNL     1      -1.315  -0.004   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.122   0.167   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.702   0.547   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.535   0.881   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.360   0.881   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.772   0.167   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.360  -0.547   0.000  1.00  0.00           N  
CONECT    1    2   14   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7    9                                            
CONECT    7    6    8                                                 
CONECT    8    7    3                                                 
CONECT    9    6   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   12                                                 
CONECT   12   11                                                      
CONECT   13   14   16   21                                            
CONECT   14   13    1                                                 
CONECT   15    1   16   17                                            
CONECT   16   15   13   18                                            
CONECT   17   15                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   13                                                 
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0RA7I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.838   1.676   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.838   0.854   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.126   0.443   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.414   0.854   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.414   1.676   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.126   2.087   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.632   0.600   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.149   1.265   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1      -0.632   1.930   0.000  1.00  0.00           S  
HETATM   10  N   UNL     1      -0.378  -0.182   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1       0.673   1.265   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.426  -0.353   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.680  -1.135   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.484  -1.306   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.034  -0.695   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.780   0.087   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.976   0.258   0.000  1.00  0.00           C  
HETATM   18  F   UNL     1       2.838  -0.866   0.000  1.00  0.00           F  
HETATM   19 CL   UNL     1       1.738  -2.087   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9   11                                            
CONECT    9    8    5                                                 
CONECT   10    7   12                                                 
CONECT   11    8                                                      
CONECT   12   10   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15                                                      
CONECT   19   14                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D0RB6K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.568  -2.132   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.811  -1.805   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.716  -0.985   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.378  -0.493   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.135  -0.821   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.230  -1.640   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -4.987  -1.968   0.000  1.00  0.00          Cl  
HETATM    8  F   UNL     1      -2.148  -2.296   0.000  1.00  0.00           F  
HETATM    9  C   UNL     1      -1.894  -0.677   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.708   0.129   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.925   0.388   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.930   1.213   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.716   1.464   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.197   0.793   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.056   2.215   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.877   2.296   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.358   1.626   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.018   0.875   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.208  -0.020   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.504   0.397   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.499   1.222   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.218   1.630   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.198  -0.049   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.984   0.354   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       1.198  -0.874   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       2.849  -0.214   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.845  -1.039   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.558  -1.455   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.274  -1.045   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.278  -0.220   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.565   0.195   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.987  -1.870   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       4.987  -1.045   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1       4.273  -2.282   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    2                                                      
CONECT    9    3   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12   19                                            
CONECT   12   11   13   22                                            
CONECT   13   12   14   15                                            
CONECT   14   13   10   18                                            
CONECT   15   13   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   14                                                 
CONECT   19   11   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   12                                                 
CONECT   23   20   24   25                                            
CONECT   24   23   26                                                 
CONECT   25   23                                                      
CONECT   26   24   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   29   33   34                                            
CONECT   33   32                                                      
CONECT   34   32                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0RC0G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.603   0.604   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.191  -0.111   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.366  -0.111   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.953   0.604   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.366   1.318   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.191   1.318   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -4.428   0.604   0.000  1.00  0.00          Cl  
HETATM    8  O   UNL     1      -1.128   0.604   0.000  1.00  0.00           O  
HETATM    9  N   UNL     1      -1.953  -0.825   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.128  -0.825   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.643  -1.492   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.141  -1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.141  -0.412   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.643  -0.158   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.856  -1.650   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.570  -1.238   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.570  -0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.856   0.000   0.000  1.00  0.00           C  
HETATM   19  S   UNL     1       2.285   0.000   0.000  1.00  0.00           S  
HETATM   20  N   UNL     1       2.999   0.412   0.000  1.00  0.00           N  
HETATM   21  O   UNL     1       1.872   0.714   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       2.697  -0.714   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       3.714   0.000   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.428   0.412   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       4.428   1.238   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       3.714   1.650   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.999   1.238   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    9                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    4                                                      
CONECT    9    3   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14   18                                            
CONECT   14   13   10                                                 
CONECT   15   12   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   13                                                 
CONECT   19   17   20   21   22                                       
CONECT   20   19   23   27                                            
CONECT   21   19                                                      
CONECT   22   19                                                      
CONECT   23   20   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   20                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0RC4W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       1.220   0.412   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       1.220  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.934  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.649  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.649   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.934   0.825   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       3.363  -0.825   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       4.078  -0.412   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       4.078   0.412   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       3.363   0.825   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       3.363   1.650   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       4.792   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       5.506   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       6.221   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       6.221   1.650   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       5.506   2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.792   1.650   0.000  1.00  0.00           C  
HETATM   18  S   UNL     1       4.792  -0.825   0.000  1.00  0.00           S  
HETATM   19  C   UNL     1       5.506  -0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       6.221  -0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       6.221  -1.650   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       6.936  -2.062   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       7.650  -1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       7.650  -0.825   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       6.936  -0.412   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.505   0.825   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       0.505   1.650   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.209   0.412   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.006   0.626   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -1.220  -0.171   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -0.423  -0.384   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.934  -0.583   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.649  -0.171   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.649   0.654   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.363   1.067   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.078   0.654   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.078  -0.171   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.363  -0.583   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.792   1.067   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.506   0.654   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.221   1.067   0.000  1.00  0.00           C  
HETATM   42  O   UNL     1      -6.221   1.892   0.000  1.00  0.00           O  
HETATM   43  O   UNL     1      -6.936   0.654   0.000  1.00  0.00           O  
HETATM   44  C   UNL     1      -7.650   1.067   0.000  1.00  0.00           C  
CONECT    1    2    6   26                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   18                                            
CONECT    9    8   10   12                                            
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    9   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    8   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26    1   27   28                                            
CONECT   27   26                                                      
CONECT   28   26   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30   28                                                 
CONECT   32   30   33                                                 
CONECT   33   32   34   38                                            
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37   39                                            
CONECT   37   36   38                                                 
CONECT   38   37   33                                                 
CONECT   39   36   40                                                 
CONECT   40   39   41                                                 
CONECT   41   40   42   43                                            
CONECT   42   41                                                      
CONECT   43   41   44                                                 
CONECT   44   43                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
M  END

$$$$
D0RC5I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.366   1.940   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.782   1.228   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.372   0.511   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.547   0.508   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.132   1.221   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.541   1.937   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.138  -0.208   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.313  -0.212   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.553  -0.921   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.378  -0.917   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.794  -1.630   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.384  -2.346   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.559  -2.350   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.144  -1.637   0.000  1.00  0.00           C  
HETATM   15 CL   UNL     1      -4.776   2.656   0.000  1.00  0.00          Cl  
HETATM   16 CL   UNL     1      -4.800  -3.059   0.000  1.00  0.00          Cl  
HETATM   17  C   UNL     1      -1.732  -0.797   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.146  -0.212   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.732   0.374   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.321  -0.212   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.091   0.503   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1      -0.138  -1.184   0.000  1.00  0.00           S  
HETATM   23  C   UNL     1       0.916   0.503   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.329   1.217   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.916   1.932   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.091   1.932   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.321   1.217   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.154   1.217   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.751  -0.862   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.800  -1.775   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       0.442  -2.044   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       2.566   1.932   0.000  1.00  0.00           O  
HETATM   33  N   UNL     1       2.566   0.503   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1       3.391   0.503   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.804   1.217   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.804  -0.212   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1       4.629   1.217   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1       4.216   0.503   0.000  1.00  0.00           C  
HETATM   39  O   UNL     1       4.800  -0.081   0.000  1.00  0.00           O  
HETATM   40  C   UNL     1      -0.323   2.647   0.000  1.00  0.00           C  
HETATM   41  F   UNL     1       0.391   3.059   0.000  1.00  0.00           F  
HETATM   42  F   UNL     1       0.089   1.932   0.000  1.00  0.00           F  
HETATM   43  F   UNL     1      -1.038   2.234   0.000  1.00  0.00           F  
CONECT    1    2    6   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   17   19                                            
CONECT    9    7   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    1                                                      
CONECT   16   12                                                      
CONECT   17    8   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18    8                                                 
CONECT   20   18   21   22                                            
CONECT   21   20   23   27                                            
CONECT   22   20   29   30   31                                       
CONECT   23   21   24                                                 
CONECT   24   23   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   40                                            
CONECT   27   26   21                                                 
CONECT   28   24   32   33                                            
CONECT   29   22                                                      
CONECT   30   22                                                      
CONECT   31   22                                                      
CONECT   32   28                                                      
CONECT   33   28   34                                                 
CONECT   34   35   36   33   38                                       
CONECT   35   34   37                                                 
CONECT   36   34                                                      
CONECT   37   35                                                      
CONECT   38   34   39                                                 
CONECT   39   38                                                      
CONECT   40   26   41   42   43                                       
CONECT   41   40                                                      
CONECT   42   40                                                      
CONECT   43   40                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
M  END

$$$$
D0RC7L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.020   1.620   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.020   0.795   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.734   0.383   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       3.449   0.795   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       3.449   1.620   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.734   2.033   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1       4.163   2.033   0.000  1.00  0.00          Cl  
HETATM    8  N   UNL     1       1.306   0.383   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.591   0.795   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.123   0.383   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.123  -0.442   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.591  -0.855   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.306  -0.442   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       0.591   1.620   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       2.020  -0.855   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.734  -0.442   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.020  -1.680   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.838   0.795   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.552   0.383   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.552  -0.442   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.838  -0.855   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.267  -0.855   0.000  1.00  0.00           N  
HETATM   23 CL   UNL     1      -0.838  -1.680   0.000  1.00  0.00          Cl  
HETATM   24  C   UNL     1      -4.163  -1.617   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.449  -2.029   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.736  -1.618   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.017  -2.033   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    2    9   13                                            
CONECT    9    8   10   14                                            
CONECT   10    9   11   18                                            
CONECT   11   10   12   21                                            
CONECT   12   11   13                                                 
CONECT   13   12    8   15                                            
CONECT   14    9                                                      
CONECT   15   13   16   17                                            
CONECT   16   15                                                      
CONECT   17   15                                                      
CONECT   18   10   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   11   23                                            
CONECT   22   20   24                                                 
CONECT   23   21                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0RC7R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.725   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.725  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.010  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.296  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.296   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.010   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.419   0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.133   0.412   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.439  -0.825   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1       0.419  -0.825   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.220  -0.408   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.026  -0.580   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       2.439   0.135   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.887   0.748   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7   11   14                                            
CONECT    9    2                                                      
CONECT   10    4                                                      
CONECT   11    8   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    8                                                 
MASTER        0    0    0    0    0    0    0    0   14    0   14    0
END
M  END

$$$$
D0RD5O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.797   0.191   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.583  -0.606   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.786  -0.820   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.203  -0.236   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.416   0.560   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.213   0.774   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.412  -1.555   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.597  -1.426   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.468  -0.611   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.013  -2.009   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.733  -0.236   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.041  -0.686   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.306  -0.311   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.386  -0.761   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.121  -0.386   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.343  -1.584   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.813  -0.835   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.548  -0.461   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.240  -0.910   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.975  -0.536   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.018   0.288   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.327   0.738   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.591   0.363   0.000  1.00  0.00           C  
HETATM   24  H   UNL     1       4.667  -0.985   0.000  1.00  0.00           H  
HETATM   25  O   UNL     1       3.370   1.561   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       2.680   2.009   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       4.754   0.663   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       4.797   1.484   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    4   11                                            
CONECT   10    8                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   17                                                 
CONECT   16   14                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   27   20   22                                            
CONECT   22   25   21   23                                            
CONECT   23   22   18                                                 
CONECT   24   20                                                      
CONECT   25   26   22                                                 
CONECT   26   25                                                      
CONECT   27   28   21                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0RD5P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.173   4.673   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.173   3.848   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.744   3.848   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.744   4.673   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.459   5.086   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.030   5.086   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.888   5.086   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.030   3.436   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.030   2.611   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.685   2.198   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.685   1.373   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       1.399   2.611   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.017   0.888   0.000  1.00  0.00           C  
HETATM   14  S   UNL     1       0.272   0.104   0.000  1.00  0.00           S  
HETATM   15  C   UNL     1       1.097   0.104   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.352   0.888   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.137   1.143   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.582  -0.564   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.403  -0.477   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.247  -1.317   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.426  -1.404   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.091  -2.157   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       0.576  -2.825   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.396  -2.739   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.732  -1.985   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.888  -1.145   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.459   3.436   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.459   2.611   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       0.240  -3.578   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.581  -3.665   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -1.065  -2.997   0.000  1.00  0.00           N  
HETATM   32  N   UNL     1      -0.916  -4.418   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1      -0.431  -5.086   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.731  -2.242   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1       0.094  -2.242   0.000  1.00  0.00           N  
CONECT    1    2    5    7                                            
CONECT    2    1   27                                                 
CONECT    3    4    8   27                                            
CONECT    4    3    5    6                                            
CONECT    5    4    1                                                 
CONECT    6    4                                                      
CONECT    7    1                                                      
CONECT    8    3    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10   13   16                                            
CONECT   12   10                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   11   17                                            
CONECT   17   16                                                      
CONECT   18   15   19   20                                            
CONECT   19   18   26                                                 
CONECT   20   18   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   29                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   19                                                      
CONECT   27    2    3   28                                            
CONECT   28   27                                                      
CONECT   29   23   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30   34                                                 
CONECT   32   30   33                                                 
CONECT   33   32                                                      
CONECT   34   31   35                                                 
CONECT   35   34                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0RD7T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.300  -1.429   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.888  -2.143   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.062  -2.143   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.650  -1.429   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.062  -0.714   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.888  -0.714   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.825  -1.429   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.412  -2.143   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.412  -2.143   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.825  -2.858   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.650  -2.858   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.062  -2.143   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.650  -1.429   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.825  -1.429   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.888  -2.143   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.300  -1.429   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       3.300  -2.858   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       2.888  -0.714   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.412  -0.714   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.412  -0.714   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.825   0.000   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.412   0.714   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.412   0.714   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.825   0.000   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.825   1.429   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.412   2.143   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.825   2.858   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.650   2.858   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.062   2.143   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.650   1.429   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -2.888   2.143   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   19                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16                                                      
CONECT   19    7   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   19                                                 
CONECT   25   23   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29   25                                                 
CONECT   31   29                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0RD9V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.000  -2.062   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.715  -1.650   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.715  -0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.000   0.412   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.715   0.825   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.429   0.412   0.000  1.00  0.00           N  
HETATM   14  O   UNL     1       0.715   1.650   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       2.143   0.825   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.858   0.412   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.572   0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.572   1.650   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.858   2.062   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.143   1.650   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.858  -0.412   0.000  1.00  0.00           C  
HETATM   22  F   UNL     1      -2.858   0.412   0.000  1.00  0.00           F  
HETATM   23  F   UNL     1      -3.572  -0.825   0.000  1.00  0.00           F  
HETATM   24  F   UNL     1      -3.572   0.000   0.000  1.00  0.00           F  
CONECT    1    2    6   21                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   15                                                 
CONECT   14   12                                                      
CONECT   15   13   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21    1   22   23   24                                       
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24   21                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0RE3R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.226   1.663   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.226   0.839   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.512   0.426   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.797   0.839   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.797   1.663   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.512   2.076   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -5.051   0.839   0.000  1.00  0.00           F  
HETATM    8  F   UNL     1      -4.639   0.124   0.000  1.00  0.00           F  
HETATM    9  C   UNL     1      -2.083   2.076   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.369   1.663   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -2.083   2.901   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.654   2.076   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.060   1.663   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.775   2.076   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.775   2.901   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.060   3.313   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.654   2.901   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.560   1.821   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.044   2.489   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1       1.560   3.156   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.814   1.036   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.329   0.369   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.814  -0.298   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.599  -0.043   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.599   0.781   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       1.643  -1.105   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.256  -1.657   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.041  -1.403   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.212  -0.596   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       3.654  -1.954   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       3.482  -2.761   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.095  -3.313   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       4.880  -3.059   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1       5.051  -2.252   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.438  -1.700   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7    8                                       
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    2                                                      
CONECT    9    5   10   11                                            
CONECT   10    9   12                                                 
CONECT   11    9                                                      
CONECT   12   10   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   14   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25   29                                            
CONECT   25   24   21                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28   24                                                 
CONECT   30   28   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END

$$$$

$$$$
D0RE9W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.572   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.143  -1.031   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.429  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.429   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.143   0.619   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.156   1.202   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.160   1.333   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.985  -1.746   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.160  -1.746   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.715   0.619   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.000   0.206   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.715   0.619   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.715   1.444   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       0.000   1.856   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.715   1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.429   0.206   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.429  -0.619   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.143  -1.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.858  -0.619   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.858   0.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.143   0.619   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.572  -1.031   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       4.287  -0.619   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1       3.572  -1.856   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   13   14                                       
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   11   12                                       
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   15                                            
CONECT   10    9    5                                                 
CONECT   11    6                                                      
CONECT   12    6                                                      
CONECT   13    3                                                      
CONECT   14    3                                                      
CONECT   15    9   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   17   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   24   28   29                                            
CONECT   28   27                                                      
CONECT   29   27                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0RF1V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.154   0.423   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.742  -0.291   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.917  -0.291   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.504   0.423   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.917   1.138   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.742   1.138   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.679   0.423   0.000  1.00  0.00           C  
HETATM    8  F   UNL     1      -2.504  -1.006   0.000  1.00  0.00           F  
HETATM    9  O   UNL     1      -2.504   1.852   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.679   1.852   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.267   1.138   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.442   1.138   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.029   1.852   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.442   2.567   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.267   2.567   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.796   1.852   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.281   1.185   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       2.065   1.440   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.065   2.265   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1       1.281   2.520   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.733   0.955   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       3.487   1.290   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       4.154   0.805   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.026   0.400   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.219   0.229   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.036  -0.556   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.516  -1.169   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       1.323  -0.998   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       1.578  -0.213   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       0.261  -1.954   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       0.813  -2.567   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4                                                      
CONECT    8    3                                                      
CONECT    9    5   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   20                                            
CONECT   17   16   18   24                                            
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   16                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22                                                      
CONECT   24   17   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27   31                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0RF1Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.308   0.719   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.407   0.307   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.121   0.719   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.836   0.307   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.550   0.719   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.265   0.307   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.979   0.719   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       4.694   0.307   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       4.694  -0.518   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       5.408   0.719   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       5.408   1.544   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.394   1.540   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.201   1.711   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.613   0.997   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.062   0.384   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       0.407  -0.518   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.990  -1.102   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.815  -1.102   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.398  -1.685   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.982  -1.102   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.398  -0.518   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.807  -1.102   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       0.674  -1.864   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.434   0.911   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.017   1.494   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.814   1.280   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.028   0.483   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.444  -0.100   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.647   0.114   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.064  -0.470   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -2.278  -1.267   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.398   1.864   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.194   1.650   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.408   0.853   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.825   0.270   0.000  1.00  0.00           C  
CONECT    1    2   12   15                                            
CONECT    2    1    3   16                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11                                                 
CONECT   11   10                                                      
CONECT   12    1   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   24                                            
CONECT   15   14    1                                                 
CONECT   16    2   17                                                 
CONECT   17   16   18   23                                            
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   18                                                 
CONECT   22   20                                                      
CONECT   23   17                                                      
CONECT   24   14   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   32                                            
CONECT   27   26   28   35                                            
CONECT   28   27   29                                                 
CONECT   29   28   24   30                                            
CONECT   30   29   31                                                 
CONECT   31   30                                                      
CONECT   32   26   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   27                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0RF5E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.386  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.386  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.329  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.043  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.043  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.329   0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.758  -1.444   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.472  -1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.472  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.758   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.758   1.031   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.472   1.444   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1       1.043   1.444   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       3.187   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.901   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.187  -1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.273  -2.264   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       4.080  -2.436   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.492  -1.721   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       3.941  -1.108   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       5.289  -1.508   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.100   0.206   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.815  -0.206   0.000  1.00  0.00           N  
HETATM   24  S   UNL     1      -2.529   0.206   0.000  1.00  0.00           S  
HETATM   25  C   UNL     1      -3.326  -0.007   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.732   0.420   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.315   1.003   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.909   0.576   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.706   0.363   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.920  -0.434   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.336  -1.018   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.539  -0.804   0.000  1.00  0.00           C  
HETATM   33 CL   UNL     1      -5.289   0.946   0.000  1.00  0.00          Cl  
HETATM   34  C   UNL     1       4.655   1.108   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       5.207   1.721   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.795   2.436   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1       3.987   2.264   0.000  1.00  0.00           O  
CONECT    1    2    6   22                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   16                                            
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   12   13                                            
CONECT   12   11   14                                                 
CONECT   13   11                                                      
CONECT   14   12   15                                                 
CONECT   15   14   34   37                                            
CONECT   16    8   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   16                                                 
CONECT   21   19                                                      
CONECT   22    1   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26   27                                       
CONECT   25   24   28   32                                            
CONECT   26   24                                                      
CONECT   27   24                                                      
CONECT   28   25   29                                                 
CONECT   29   28   30   33                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   25                                                 
CONECT   33   29                                                      
CONECT   34   15   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   15                                                 
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0RG1T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.023   0.510   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.023  -0.315   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.309  -0.728   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.594  -0.315   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.594   0.510   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.309   0.922   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.190  -0.570   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.675   0.097   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1       0.190   0.765   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1       1.500   0.097   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.913   0.812   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.738   0.812   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       1.500   1.526   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.445  -1.355   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.252  -1.526   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.738  -0.728   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   16                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   14                                            
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14    7   15                                                 
CONECT   15   14                                                      
CONECT   16    2                                                      
MASTER        0    0    0    0    0    0    0    0   16    0   16    0
END
M  END

$$$$
D0RG4J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.421  -0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.421  -1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.706  -1.857   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.992  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.992  -0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.706  -0.207   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -1.277  -0.207   0.000  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -1.277  -1.857   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.563  -1.444   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -1.277  -2.682   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.152  -1.857   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.866  -1.444   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.866  -0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.581  -0.207   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       1.581   0.618   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       0.866   1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.152   0.618   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.152  -0.207   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.581  -1.857   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.295  -1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.708  -0.730   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.883  -0.730   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.866   1.857   0.000  1.00  0.00           C  
HETATM   24  F   UNL     1       0.041   1.857   0.000  1.00  0.00           F  
HETATM   25  F   UNL     1       0.866   2.682   0.000  1.00  0.00           F  
HETATM   26  F   UNL     1       1.691   1.857   0.000  1.00  0.00           F  
HETATM   27  C   UNL     1       3.008  -1.857   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1       2.596  -2.571   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1       2.294  -1.444   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1       3.421  -1.143   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    4    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13   19                                            
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   23                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   12   20                                                 
CONECT   20   19   21   22   27                                       
CONECT   21   20   22                                                 
CONECT   22   21   20                                                 
CONECT   23   16   24   25   26                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23                                                      
CONECT   27   20   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0RG9J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.118   0.019   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.293   0.019   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.880   0.734   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.293   1.448   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.118   1.448   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.530   0.734   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.055   0.734   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.230   0.734   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.405   0.734   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.080   0.066   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.864   0.321   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.864   1.146   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.080   1.401   0.000  1.00  0.00           C  
HETATM   14  F   UNL     1      -0.780   1.469   0.000  1.00  0.00           F  
HETATM   15  C   UNL     1       1.532  -0.164   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.445  -0.984   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.113  -1.469   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.866  -1.133   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.953  -0.313   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.285   0.172   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.705   0.025   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       4.530   0.025   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   13   14                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12    9                                                 
CONECT   14    9                                                      
CONECT   15   11   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   15                                                 
CONECT   21   19   22                                                 
CONECT   22   21                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0RH3O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.988   0.100   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.400   0.815   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.181   0.272   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.094   1.092   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.848   1.428   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.380   1.505   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.665   1.092   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.951   1.505   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.951   2.330   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.665   2.742   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.380   2.330   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -3.094   2.742   0.000  1.00  0.00          Cl  
HETATM   13  N   UNL     1      -0.237   1.092   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.478   1.505   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.323  -0.654   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.144  -0.740   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.479  -1.493   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.994  -2.161   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.174  -2.075   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.838  -1.321   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.192   1.092   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       0.478   2.330   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.192   0.267   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.907  -0.145   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.621   0.267   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.621   1.092   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.907   1.505   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.907   2.330   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       3.336  -0.145   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       3.336  -0.970   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.050  -1.383   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       4.765  -0.970   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       4.765  -0.145   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.050   0.267   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       5.479  -1.383   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       5.479   0.267   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.050  -2.208   0.000  1.00  0.00           C  
HETATM   38  S   UNL     1      -3.689  -2.742   0.000  1.00  0.00           S  
HETATM   39  F   UNL     1       3.336   1.505   0.000  1.00  0.00           F  
CONECT    1    2    3   15                                            
CONECT    2    1    5                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    2                                                 
CONECT    6    4    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    6   12                                            
CONECT   12   11                                                      
CONECT   13    8   14                                                 
CONECT   14   13   21   22                                            
CONECT   15    1   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   38                                            
CONECT   20   19   15                                                 
CONECT   21   14   23   27                                            
CONECT   22   14                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27   39                                            
CONECT   27   26   21   28                                            
CONECT   28   27                                                      
CONECT   29   25   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32   37                                            
CONECT   32   31   33   35                                            
CONECT   33   32   34   36                                            
CONECT   34   33   29                                                 
CONECT   35   32                                                      
CONECT   36   33                                                      
CONECT   37   31                                                      
CONECT   38   19                                                      
CONECT   39   26                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0RH6G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       1.071   1.911   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       1.071   1.086   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.785   0.673   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.499   1.086   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.499   1.911   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.785   2.323   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.785  -0.149   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.358   0.674   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.356   1.087   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.071   0.674   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.785   1.087   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.499   0.674   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.499  -0.150   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.785  -0.563   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.071  -0.150   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.211  -0.561   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.926  -0.149   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -4.640  -0.561   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.640  -1.387   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.926  -1.799   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.211  -1.387   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.352  -1.798   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.926  -2.621   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.497  -0.560   0.000  1.00  0.00           N  
HETATM   25  O   UNL     1       1.073  -0.560   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       2.497  -1.385   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.211  -1.798   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.211  -2.623   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.926  -3.035   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.640  -2.623   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.640  -1.798   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.926  -1.385   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1       5.352  -1.387   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       5.352  -3.034   0.000  1.00  0.00           F  
HETATM   35  C   UNL     1       3.209   2.323   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1       2.798   3.035   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1       3.921   2.734   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1       3.620   1.611   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   35                                            
CONECT    6    5    1                                                 
CONECT    7    3   24   25                                            
CONECT    8    2    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21   23                                            
CONECT   21   20   16                                                 
CONECT   22   19                                                      
CONECT   23   20                                                      
CONECT   24    7   26                                                 
CONECT   25    7                                                      
CONECT   26   24   27                                                 
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   34                                            
CONECT   31   30   32   33                                            
CONECT   32   31   27                                                 
CONECT   33   31                                                      
CONECT   34   30                                                      
CONECT   35    5   36   37   38                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END

$$$$

$$$$

$$$$
D0RH7L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.224   1.324   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.224   0.499   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.510   0.087   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.204   0.499   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.204   1.324   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.510   1.737   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.989   0.244   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.474   0.912   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.989   1.579   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.939   0.087   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.299   0.912   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       1.244  -0.540   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.051  -0.712   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       2.603  -0.099   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1       2.306  -1.497   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.754  -2.110   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.113  -1.668   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.009  -2.894   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.368  -2.453   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.457  -3.507   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.712  -4.292   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.519  -4.463   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.071  -3.850   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.816  -3.066   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.653   0.499   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.368   0.087   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.368  -0.738   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.653  -1.151   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.939  -0.738   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.339   2.320   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.101   4.463   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.311   3.749   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       0.101   3.035   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       0.926   3.035   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.339   3.749   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       0.926   4.463   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1       2.163   2.277   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9   11                                            
CONECT    9    8    5   30                                            
CONECT   10    2   25   29                                            
CONECT   11    8                                                      
CONECT   12    7   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15   19                                                 
CONECT   18   16   20   24                                            
CONECT   19   17                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
CONECT   25   10   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   10                                                 
CONECT   30    9   34   37                                            
CONECT   31   36   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   30                                            
CONECT   35   34   36                                                 
CONECT   36   31   35                                                 
CONECT   37   30                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0RH9K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.659  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.659  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.055  -2.062   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.770  -1.650   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.770  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.055  -0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.554  -1.905   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.039  -1.238   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.554  -0.570   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.055   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.374  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.770   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.484   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.199   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.199   1.650   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.484   2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.770   1.650   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.698   1.266   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.786   0.302   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.199  -0.412   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.659   0.825   0.000  1.00  0.00           O  
CONECT    1    2    6   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    6   12   21                                            
CONECT   11    1   19   20                                            
CONECT   12   10   13   17                                            
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   12                                                 
CONECT   18   16   13                                                 
CONECT   19   11   20                                                 
CONECT   20   19   11                                                 
CONECT   21   10                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0RI3W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.632  -0.996   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.632  -1.821   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.918  -2.234   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.203  -1.821   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.203  -0.996   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.918  -0.584   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.489  -2.234   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.226  -1.821   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.226  -0.996   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.489  -0.584   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.347  -2.234   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.089   0.223   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.910   0.309   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -3.245  -0.444   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.537   0.836   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.730   0.665   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.178   1.278   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.433   2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.240   2.234   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.792   1.621   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1      -2.599   1.792   0.000  1.00  0.00          Cl  
HETATM   22  O   UNL     1       0.629   1.106   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.181   1.719   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.988   1.548   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.540   2.161   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.347   1.989   0.000  1.00  0.00           C  
CONECT    1    2    6   14                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   12                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    2                                                      
CONECT   12    6   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    1                                                 
CONECT   15   12   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
CONECT   22   17   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0RJ1U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.664  -3.356   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.664  -4.181   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.950  -4.593   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.235  -4.181   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.235  -3.356   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.950  -2.943   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.521  -4.593   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.806  -4.181   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.806  -3.356   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.521  -2.943   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.521  -2.118   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.806  -1.706   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.806  -0.881   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.092  -0.468   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.092   0.357   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.575   0.842   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.320   1.626   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.505   1.626   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.759   0.842   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.057   2.239   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.864   2.068   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.118   1.283   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.566   0.670   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.360   0.587   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       1.973   1.139   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1       1.532  -0.220   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.802   3.024   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.005   3.196   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.260   3.980   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -0.292   4.593   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -1.099   4.422   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.354   3.637   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       0.904   2.210   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.701   1.996   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1       2.284   2.579   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1       3.081   2.366   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.664   2.949   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1       3.451   3.746   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1       2.654   3.960   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       2.071   3.376   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.161   3.466   0.000  1.00  0.00           C  
HETATM   42  F   UNL     1       1.067   4.152   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17   24                                            
CONECT   17   16   18   33                                            
CONECT   18   17   19   20                                            
CONECT   19   18   15   23                                            
CONECT   20   18   21   27                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   19                                                 
CONECT   24   16   25   26                                            
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   20   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30   42                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27   41                                            
CONECT   33   17   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36   40                                            
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   35                                                 
CONECT   41   32                                                      
CONECT   42   29                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D0RJ3W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.072  -2.269   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.072  -3.094   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.357  -3.506   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.357  -3.094   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.357  -2.269   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.357  -1.856   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.072  -3.506   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.786  -3.094   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       2.501  -3.506   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       3.215  -3.094   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.215  -2.269   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.501  -1.856   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.786  -2.269   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -1.786  -1.856   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       2.501  -1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.786  -1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.501  -0.619   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.215  -1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.215  -1.856   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.501  -2.269   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.913   0.096   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.088   0.096   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.501   0.810   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.215  -0.619   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.215   0.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.501   0.619   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.786   0.206   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.786  -0.619   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.501   1.444   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       1.786   1.856   0.000  1.00  0.00           N  
HETATM   31  O   UNL     1       3.215   1.856   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       1.786   2.681   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.072   3.094   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       0.357   3.506   0.000  1.00  0.00           N  
CONECT    1    2    6   14                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12    8                                                 
CONECT   14    1   16   20                                            
CONECT   15   12   24   28                                            
CONECT   16   14   17                                                 
CONECT   17   16   18   21   22                                       
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   14                                                 
CONECT   21   17   23                                                 
CONECT   22   17   23                                                 
CONECT   23   21   22                                                 
CONECT   24   15   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   15                                                 
CONECT   29   26   30   31                                            
CONECT   30   29   32                                                 
CONECT   31   29                                                      
CONECT   32   30   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0RK1R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.331   1.507   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.331   0.682   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.454   0.427   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.939   1.095   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.454   1.762   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.046   1.920   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.760   1.507   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.760   0.682   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.046   0.270   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.709   2.547   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.922   3.344   0.000  1.00  0.00           N  
HETATM   12  F   UNL     1      -2.474   1.920   0.000  1.00  0.00           F  
HETATM   13  C   UNL     1       0.667  -0.370   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.084  -0.953   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.297  -1.750   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.094  -1.963   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.677  -1.380   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.464  -0.583   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.308  -2.760   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       2.105  -2.974   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1       0.724  -3.344   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       2.474  -1.594   0.000  1.00  0.00           O  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   13                                            
CONECT    4    3    5                                                 
CONECT    5    4    1   10                                            
CONECT    6    1    7                                                 
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    5   11                                                 
CONECT   11   10                                                      
CONECT   12    7                                                      
CONECT   13    3   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18   22                                            
CONECT   18   17   13                                                 
CONECT   19   16   20   21                                            
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   17                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0RK3U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858   1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858   0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429   0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429   1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143   1.856   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.143   2.681   0.000  1.00  0.00           C  
HETATM    8  S   UNL     1      -2.143  -0.619   0.000  1.00  0.00           S  
HETATM    9  N   UNL     1      -2.143  -1.444   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -1.318  -0.619   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1      -2.968  -0.619   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.429  -1.856   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.715  -1.444   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.000  -1.856   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.715  -1.444   0.000  1.00  0.00           C  
HETATM   16  B   UNL     1       1.429  -1.856   0.000  1.00  0.00           B  
HETATM   17  O   UNL     1       2.143  -1.444   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.858  -1.856   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.572  -1.444   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.715  -0.619   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       0.715  -0.619   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       1.429  -2.681   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.429  -0.206   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.143  -0.619   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.858  -0.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.858   0.619   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.143   1.031   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.429   0.619   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.715   1.031   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.572   1.031   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.858  -2.681   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    3    9   10   11                                       
CONECT    9    8   12   18                                            
CONECT   10    8                                                      
CONECT   11    8                                                      
CONECT   12    9   13                                                 
CONECT   13   12   14   20                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   21                                            
CONECT   16   15   17   22                                            
CONECT   17   16                                                      
CONECT   18    9   19   31                                            
CONECT   19   18                                                      
CONECT   20   13                                                      
CONECT   21   15   23                                                 
CONECT   22   16                                                      
CONECT   23   21   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   23   29                                            
CONECT   29   28                                                      
CONECT   30   26                                                      
CONECT   31   18                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0RK4V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.998  -1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.998  -2.062   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.284  -2.475   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.569  -2.062   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.569  -1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.284  -0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.713  -0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.855  -0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.140  -0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.574   0.000   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.288  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.003   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.003   0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.288   1.238   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.574   0.825   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       1.288   2.062   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       2.003   2.475   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       2.717  -0.412   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.717  -1.238   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.717   1.238   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.432   0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.518   0.004   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.325  -0.167   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.738   0.547   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.186   1.161   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.357   1.968   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       5.142   2.223   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.713   0.000   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.427   0.412   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.142   0.000   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.142  -0.825   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.427  -1.238   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.284   0.000   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1   33                                            
CONECT    7    1   28   32                                            
CONECT    8    5    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   18                                            
CONECT   13   12   14   20                                            
CONECT   14   13   15   16                                            
CONECT   15   14   10                                                 
CONECT   16   14   17                                                 
CONECT   17   16                                                      
CONECT   18   12   19                                                 
CONECT   19   18                                                      
CONECT   20   13   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   21   26                                            
CONECT   26   25   27                                                 
CONECT   27   26                                                      
CONECT   28    7   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31    7                                                 
CONECT   33    6                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0RK6W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.710   2.005   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.004   2.417   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.719   2.005   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.433   2.417   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1       0.004   3.242   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1       2.147   2.005   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.862   2.417   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.862   3.242   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.147   3.655   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.433   3.242   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       3.576   3.655   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.425   2.417   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.139   2.005   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.139   1.180   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.425   0.767   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.710   1.180   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.854   0.767   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.854  -0.058   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.568  -0.470   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.568  -1.295   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.854  -1.708   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.139  -1.295   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.139  -0.470   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.283  -0.058   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.283   0.767   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1      -4.997  -0.470   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.854  -2.533   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.521  -3.018   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.266  -3.803   0.000  1.00  0.00           N  
HETATM   30  N   UNL     1      -2.441  -3.803   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.186  -3.018   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.956  -4.470   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1      -1.425  -0.058   0.000  1.00  0.00           F  
HETATM   34  H   UNL     1      -1.744   1.864   0.000  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.201   1.602   0.000  1.00  0.00           H  
HETATM   36  C   UNL     1       4.288   3.242   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1       3.579   2.014   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1       3.060   3.951   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1       4.997   4.470   0.000  1.00  0.00           F  
CONECT    1    2   12   16                                            
CONECT    2    1    3    5                                            
CONECT    3    2    4                                                 
CONECT    4    3    6   10                                            
CONECT    5    2                                                      
CONECT    6    4    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    8   36                                                 
CONECT   12    1   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17   34                                       
CONECT   15   14   16   33   35                                       
CONECT   16   15    1                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   27                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   19   25   26                                            
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   21   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30   27                                                 
CONECT   32   30                                                      
CONECT   33   15                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   37   38   39   11                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   36                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END

$$$$

$$$$

$$$$
D0RL3M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.321   0.825   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.321   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.607  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.892   0.000   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.892   0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.607   1.238   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.035  -0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.178   1.238   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.537   0.825   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.537   0.000   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.178  -0.412   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       1.251  -0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.251   1.238   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.966   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.680   1.238   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.680   2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.966   2.475   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.251   2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.395   0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.750   0.000   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.464  -0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.464  -1.238   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.750  -1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.035  -1.238   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -5.179  -1.650   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.179  -2.475   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.893  -1.238   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.251  -1.238   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.966   0.000   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.835  -0.996   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.109   1.238   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.464   0.619   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       3.750   0.206   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1       5.179   0.206   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       5.893   0.619   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2   20   24                                            
CONECT    8    5    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   28   29   30                                       
CONECT   13    9   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   15   31                                                 
CONECT   20    7   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23    7                                                 
CONECT   25   22   26   27                                            
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   12                                                      
CONECT   29   12                                                      
CONECT   30   12                                                      
CONECT   31   19   32                                                 
CONECT   32   31   33   34                                            
CONECT   33   32                                                      
CONECT   34   32   35                                                 
CONECT   35   34                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END

$$$$

$$$$

$$$$
D0RL7G
  -OEChem-09301911162D

 60 64  0     0  0  0  0  0  0999 V2000
    6.3661    5.5170    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4091    5.1046    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4161    0.6388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -1.9159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1270   -2.1274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7698    1.1769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -3.3172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -3.5251    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7106   -1.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7106   -1.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -1.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1270   -0.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4376   -3.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -2.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2106   -0.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2106   -2.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4376    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7698   -3.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -1.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0804   -4.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7913   -3.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -2.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0804    2.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4126   -5.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1234   -4.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4126    2.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4341   -5.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7233    3.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4341    2.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0554    4.5665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7663    3.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0769    4.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3306   -1.3227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8202   -3.5658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9846   -2.7859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -2.9427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7475   -0.7666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5206    0.0803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6736   -0.1466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6736   -2.4987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5206   -2.7256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7475   -1.8787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118   -0.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1631    1.0490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6871   -4.9006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5987   -3.0267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6274    1.8354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4630    2.6153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6052   -6.1064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5168   -4.2324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0200   -5.7723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3300    3.9501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2415    2.0762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -2.5943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1596    3.2819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 34  1  0  0  0  0
  2 36  1  0  0  0  0
  3 19  2  0  0  0  0
  4 25  1  0  0  0  0
  4 33  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6 19  1  0  0  0  0
  6 26  1  0  0  0  0
  6 49  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  2  0  0  0  0
  8 33  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  2  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 37  1  0  0  0  0
 11 13  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 18  1  0  0  0  0
 14 20  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 21  2  0  0  0  0
 15 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 22  2  0  0  0  0
 18 47  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 48  1  0  0  0  0
 23 27  1  0  0  0  0
 23 50  1  0  0  0  0
 24 28  2  0  0  0  0
 24 51  1  0  0  0  0
 26 29  1  0  0  0  0
 26 52  1  0  0  0  0
 26 53  1  0  0  0  0
 27 30  2  0  0  0  0
 27 54  1  0  0  0  0
 28 30  1  0  0  0  0
 28 55  1  0  0  0  0
 29 31  2  0  0  0  0
 29 32  1  0  0  0  0
 30 56  1  0  0  0  0
 31 34  1  0  0  0  0
 31 57  1  0  0  0  0
 32 35  2  0  0  0  0
 32 58  1  0  0  0  0
 33 59  1  0  0  0  0
 34 36  2  0  0  0  0
 35 36  1  0  0  0  0
 35 60  1  0  0  0  0
M  END

$$$$
D0RM0U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.707  -0.806   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.707  -1.631   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.992  -2.044   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.278  -1.631   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.278  -0.806   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.992  -0.394   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.563  -2.044   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.849  -1.631   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.849  -0.806   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.563  -0.394   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.134  -0.394   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.134   0.431   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.849   0.844   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.563   0.431   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.650  -0.649   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.135   0.019   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.650   0.686   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.278   0.019   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.421  -2.044   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.134   1.256   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.580  -2.758   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.864   1.483   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.661   1.697   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.244   1.113   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.041   1.327   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.624   0.744   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.411  -0.053   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.421   0.957   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.134  -1.219   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.405  -2.758   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.249   2.044   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1      -0.576   2.044   0.000  1.00  0.00           O  
HETATM   33  O   UNL     1       0.661   2.758   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   19                                            
CONECT    3    2    4   21   30                                       
CONECT    4    3    5    7                                            
CONECT    5    4    6   10   18                                       
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12   15   29                                       
CONECT   12   11   13   17   20                                       
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   22                                            
CONECT   18    5                                                      
CONECT   19    2                                                      
CONECT   20   12                                                      
CONECT   21    3                                                      
CONECT   22   17   23   31                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   11                                                      
CONECT   30    3                                                      
CONECT   31   22   32   33                                            
CONECT   32   31                                                      
CONECT   33   31                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0RM4V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.214  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.214  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.500  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.785  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.785  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.500  -0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.071  -2.062   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.356  -1.650   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.356  -0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.071  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.358  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.358   0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.356   0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.071   0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.073  -0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.787  -0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.787   0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.073   0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.502   0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.502   1.650   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.787   2.062   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.073   1.650   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.929  -2.062   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.785   0.000   0.000  1.00  0.00           C  
HETATM   25  H   UNL     1      -1.785  -2.475   0.000  1.00  0.00           H  
HETATM   26  O   UNL     1      -0.356   1.650   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.356   0.000   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.358  -1.238   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       2.502   0.000   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       3.216   0.412   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.574   2.859   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.001   2.859   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.713  -2.859   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.286  -2.859   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.930   0.000   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1       3.216   1.238   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1      -3.930  -0.412   0.000  1.00  0.00           C  
HETATM   38  N   UNL     1      -1.493  -0.412   0.000  1.00  0.00           N  
CONECT    1    2    6   37                                            
CONECT    2    1    3   23                                            
CONECT    3    2    4   33   34                                       
CONECT    4    3    5    7   25                                       
CONECT    5    4    6   10   24                                       
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11   27                                       
CONECT   10    9    5   14                                            
CONECT   11    9   12   15   28                                       
CONECT   12   11   13   18                                            
CONECT   13   12   14   26                                            
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19   29                                       
CONECT   18   17   12   22                                            
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   31   32                                       
CONECT   22   21   18                                                 
CONECT   23    2                                                      
CONECT   24    5                                                      
CONECT   25    4                                                      
CONECT   26   13                                                      
CONECT   27    9                                                      
CONECT   28   11                                                      
CONECT   29   17   30                                                 
CONECT   30   29   35   36                                            
CONECT   31   21                                                      
CONECT   32   21                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35   30                                                      
CONECT   36   30                                                      
CONECT   37   38    1                                                 
CONECT   38   37                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0RN2X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.137  -0.292   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.137  -1.117   0.000  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.423  -1.529   0.000  1.00  0.00           O  
HETATM    4  C   UNL     1       0.292  -1.117   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.292  -0.292   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.423   0.121   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.006  -1.529   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.721  -1.117   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.721  -0.292   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.006   0.121   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.435  -1.529   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       3.150  -1.117   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.150  -0.292   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.435   0.121   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       3.864  -1.529   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.852  -0.704   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.852  -1.529   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.721   0.292   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.721   1.117   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.006   1.529   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.435   1.529   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.150   1.117   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.150   0.292   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.864   1.529   0.000  1.00  0.00           C  
CONECT    1    2    6   18                                            
CONECT    2    1    3   16   17                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10   14                                            
CONECT   10    9    5                                                 
CONECT   11    8   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12                                                      
CONECT   16    2                                                      
CONECT   17    2                                                      
CONECT   18    1   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19                                                      
CONECT   21   19   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22                                                      
CONECT   24   22                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0RN9V
  -OEChem-09301911282D

 87 90  0     1  0  0  0  0  0999 V2000
    6.8671   -1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8671   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244    1.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230    0.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    3.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    3.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4776    2.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791    3.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    3.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    2.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796    3.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810    4.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924    4.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909    3.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    5.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1569    7.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    7.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9169    7.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249   -5.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264   -6.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9169   -7.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -7.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1569   -7.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1  7  1  0  0  0  0
  1 24  1  0  0  0  0
  2 18  2  0  0  0  0
  3 22  2  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 18  1  0  0  0  0
 19  7  1  6  0  0  0
  7 63  1  0  0  0  0
  8 22  1  0  0  0  0
  8 31  1  0  0  0  0
  8 66  1  0  0  0  0
  9 36  1  0  0  0  0
  9 78  1  0  0  0  0
  9 79  1  0  0  0  0
 10 36  2  0  0  0  0
 10 82  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 11 45  1  0  0  0  0
 12 14  1  0  0  0  0
 12 46  1  0  0  0  0
 12 47  1  0  0  0  0
 13 15  1  0  0  0  0
 13 48  1  0  0  0  0
 13 49  1  0  0  0  0
 14 50  1  0  0  0  0
 14 51  1  0  0  0  0
 15 52  1  0  0  0  0
 15 53  1  0  0  0  0
 16 17  1  0  0  0  0
 16 54  1  0  0  0  0
 16 55  1  0  0  0  0
 17 20  1  0  0  0  0
 17 56  1  0  0  0  0
 17 57  1  0  0  0  0
 18 19  1  0  0  0  0
 19 21  1  0  0  0  0
 19 58  1  0  0  0  0
 20 22  1  0  0  0  0
 20 59  1  0  0  0  0
 20 60  1  0  0  0  0
 21 23  1  0  0  0  0
 21 61  1  0  0  0  0
 21 62  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 24 28  1  0  0  0  0
 24 30  2  0  0  0  0
 25 27  1  0  0  0  0
 25 64  1  0  0  0  0
 26 29  2  0  0  0  0
 26 65  1  0  0  0  0
 27 32  2  0  0  0  0
 27 36  1  0  0  0  0
 28 33  2  0  0  0  0
 28 67  1  0  0  0  0
 29 32  1  0  0  0  0
 29 68  1  0  0  0  0
 30 34  1  0  0  0  0
 30 69  1  0  0  0  0
 31 70  1  0  0  0  0
 31 71  1  0  0  0  0
 31 72  1  0  0  0  0
 32 73  1  0  0  0  0
 33 35  1  0  0  0  0
 33 37  1  0  0  0  0
 34 35  2  0  0  0  0
 34 74  1  0  0  0  0
 35 75  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 38 41  1  0  0  0  0
 38 76  1  0  0  0  0
 39 42  2  0  0  0  0
 39 77  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 40 43  1  0  0  0  0
 41 80  1  0  0  0  0
 42 81  1  0  0  0  0
 43 44  1  0  0  0  0
 43 83  1  0  0  0  0
 43 84  1  0  0  0  0
 44 85  1  0  0  0  0
 44 86  1  0  0  0  0
 44 87  1  0  0  0  0
M  END

$$$$
D0RO7A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.429  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.715  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.000   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.715   0.412   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.143  -1.238   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.715   0.412   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.429   0.000   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1       0.715   1.238   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1       2.143   0.412   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9                                                      
MASTER        0    0    0    0    0    0    0    0   11    0   11    0
END
M  END

$$$$
D0RP0H
  -OEChem-09301911172D

 51 54  0     1  0  0  0  0  0999 V2000
    9.6814   -1.7425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3987   -2.9064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364   -0.8889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123   -2.6246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274   -0.3011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0321   -1.2136    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0547   -1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3518   -0.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3374   -0.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328   -2.4159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274   -1.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3148   -0.0497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6498    0.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -1.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7040   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183   -0.8889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3991   -3.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6201    0.9026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9721    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6255    0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424   -2.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029   -0.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2701    1.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9235    1.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2458    2.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219   -2.4159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5438    3.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8427   -1.8040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3134    0.3582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7231   -0.1775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3388   -0.6692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9290   -0.1336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9368   -3.5747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8122   -3.6240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8614   -2.7486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2105    0.7132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8094    1.4929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0297    1.0919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3672    0.8974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0456    0.0612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408   -3.2120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182   -0.0648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8499    2.4438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5284    1.6076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9088   -2.8783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940   -1.2940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0980   -2.2016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1356    2.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7285    3.7535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9520    3.3464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 48  1  0  0  0  0
  2 15  2  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4 10  2  0  0  0  0
  4 11  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 15  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 17  1  0  0  0  0
 11 14  2  0  0  0  0
 12 18  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 16  1  0  0  0  0
 14 21  1  0  0  0  0
 16 22  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 23  1  0  0  0  0
 19 40  1  0  0  0  0
 20 24  2  0  0  0  0
 20 41  1  0  0  0  0
 21 26  2  0  0  0  0
 21 42  1  0  0  0  0
 22 27  2  0  0  0  0
 22 43  1  0  0  0  0
 23 25  2  0  0  0  0
 23 44  1  0  0  0  0
 24 25  1  0  0  0  0
 24 45  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  1  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
M  END

$$$$
D0RP1J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.720   2.888   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.720   2.062   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.006   1.650   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.291   2.062   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.291   2.888   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.006   3.300   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.006   0.825   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.720   0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.720  -0.412   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.006  -0.825   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.291  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.291   0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.006  -1.650   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.291  -2.062   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.291  -2.888   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.577  -3.300   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.862  -2.888   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.862  -2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.577  -1.650   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.148  -3.300   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       0.567  -2.888   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.281  -3.300   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.995  -2.888   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       1.995  -2.062   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       1.281  -1.650   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.567  -2.062   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.710  -1.650   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.507  -1.863   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.720  -1.067   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.923  -0.853   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -1.507   1.808   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.022   2.475   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1      -1.507   3.142   0.000  1.00  0.00           N  
HETATM   34  O   UNL     1      -0.197   2.475   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   31                                            
CONECT    5    4    6   33                                            
CONECT    6    5    1                                                 
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   24   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   27                                                 
CONECT   31    4   32                                                 
CONECT   32   31   33   34                                            
CONECT   33   32    5                                                 
CONECT   34   32                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0RP4W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.374  -1.224   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.120  -2.006   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.316  -2.177   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.765  -1.566   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.019  -0.784   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.824  -0.613   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.943  -1.566   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.689  -0.784   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.354  -0.301   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.393  -2.177   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.411  -2.006   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.665  -1.224   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.115  -0.613   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.354   0.521   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.642   0.932   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.642   1.755   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.070   2.166   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.070   2.988   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1      -2.066   0.932   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.642   3.399   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.961  -2.617   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.782   3.399   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.765  -2.446   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.019  -1.664   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.824  -1.493   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       3.078  -0.711   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       0.707  -3.399   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       3.374  -2.104   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9   13                                            
CONECT    9    8    5   14                                            
CONECT   10    7   11                                                 
CONECT   11   10   12   21                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    9   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   20   22                                            
CONECT   19   14                                                      
CONECT   20   18                                                      
CONECT   21   11   23   27                                            
CONECT   22   18                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25                                                      
CONECT   27   21                                                      
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0RQ0B
  -OEChem-09301911152D

 59 63  0     0  0  0  0  0  0999 V2000
    3.2854    3.7928    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1703    5.7802    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2079   -1.9436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6092   -1.1346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0067    3.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6648    4.8097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2024   -3.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3364   -4.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0685   -4.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7024   -2.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3364   -5.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0685   -5.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2024   -5.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7024   -2.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7024   -2.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2024   -2.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7024   -2.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2024   -2.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7024   -1.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2024   -2.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7024   -1.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9705    0.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8841    0.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1615    1.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9886    1.9303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9022    2.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2661    2.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1796    2.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2636    4.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8727    3.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6703    4.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1244   -3.6976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7258   -4.3879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6790   -4.3879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2805   -3.6976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2850   -2.7022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5948   -2.3036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7258   -5.1726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1244   -5.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2805   -5.8628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6790   -5.1726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8039   -6.2552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6010   -6.2552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1198   -3.1263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8101   -3.5248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5824   -2.0482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0124   -3.4511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3924   -0.6452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8224   -2.0482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0124   -0.6452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3857    0.5713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5951    0.8646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0522    1.7354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5207    2.3803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2444    3.1347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7645    2.4758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4391    3.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
  2 33  1  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  4 19  2  0  0  0  0
  4 23  1  0  0  0  0
  5 23  2  0  0  0  0
  6 28  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7 32  2  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  9 12  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 13  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 16  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 14  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 14  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 20  1  0  0  0  0
 17 48  1  0  0  0  0
 18 21  2  0  0  0  0
 18 49  1  0  0  0  0
 20 22  2  0  0  0  0
 20 50  1  0  0  0  0
 21 22  1  0  0  0  0
 21 51  1  0  0  0  0
 22 52  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 53  1  0  0  0  0
 26 29  1  0  0  0  0
 26 54  1  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 55  1  0  0  0  0
 28 56  1  0  0  0  0
 29 30  2  0  0  0  0
 29 58  1  0  0  0  0
 30 57  1  0  0  0  0
 31 33  2  0  0  0  0
 32 59  1  0  0  0  0
M  END

$$$$
D0RQ8Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.932   0.700   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.932  -0.125   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.218  -0.537   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.503  -0.125   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.503   0.700   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.218   1.113   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.218   1.938   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.503   2.350   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.503   3.175   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.218   3.588   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.932   3.175   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.932   2.350   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.789   3.588   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.074   3.175   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.074   2.350   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.360   1.938   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.355   2.350   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.355   3.175   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.360   3.588   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.360   4.413   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       1.069   1.938   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       1.069   1.113   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       0.355   0.700   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       1.784   0.700   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.784  -0.125   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.498  -0.537   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.213  -0.125   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.213   0.700   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.498   1.113   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       2.503  -1.525   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       3.218  -1.938   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.218  -2.763   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       3.932  -1.525   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1       3.932  -3.175   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.932  -4.000   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1       3.931  -4.000   0.000  1.00  0.00           N  
HETATM   37  C   UNL     1       3.217  -4.413   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       3.931  -3.175   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    9   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   14   20                                            
CONECT   20   19                                                      
CONECT   21   17   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22                                                      
CONECT   24   22   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   31   26                                                 
CONECT   31   30   32   33                                            
CONECT   32   31   34                                                 
CONECT   33   31                                                      
CONECT   34   32   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37   38                                            
CONECT   37   36                                                      
CONECT   38   36                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0RR5C
  -OEChem-09301911232D

 23 24  0     1  0  0  0  0  0999 V2000
    4.2690   -1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -0.4597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648    0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.8450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812    1.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3919   -1.4102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    1.8200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    1.8200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738    1.7390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8026   -1.6029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5845   -1.9996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9812   -1.2176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 23  1  0  0  0  0
  2 11  2  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 13  1  0  0  0  0
  8  5  1  1  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 12 17  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
M  END

$$$$
D0RR8O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.625   2.018   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.625   1.193   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.089   0.781   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.804   1.193   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.804   2.018   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       0.089   2.431   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1       1.518   0.781   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.233   1.193   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.233   2.018   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.518   2.431   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.947   0.781   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       3.034  -0.040   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.841  -0.211   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.253   0.503   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.701   1.116   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.820  -0.837   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.023  -1.050   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.810  -1.847   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.393  -2.431   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.190  -2.217   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.403  -1.420   0.000  1.00  0.00           C  
HETATM   22  F   UNL     1       4.200  -1.207   0.000  1.00  0.00           F  
HETATM   23  F   UNL     1       1.013  -2.061   0.000  1.00  0.00           F  
HETATM   24  N   UNL     1       0.089  -0.044   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.625  -0.457   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.340  -0.044   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.426   0.776   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.233   0.948   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.645   0.233   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.093  -0.380   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.785   1.561   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.538   1.225   0.000  1.00  0.00           C  
HETATM   33  S   UNL     1      -3.452   0.405   0.000  1.00  0.00           S  
HETATM   34  C   UNL     1      -4.253   1.638   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   24                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    8   12   15                                            
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16   12   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16   22                                            
CONECT   22   21                                                      
CONECT   23   18                                                      
CONECT   24    3   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30   33                                            
CONECT   30   29   26                                                 
CONECT   31   28   32                                                 
CONECT   32   31   33   34                                            
CONECT   33   32   29                                                 
CONECT   34   32                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END

$$$$

$$$$

$$$$
D0RS6O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.650  -0.715   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.825  -0.715   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.412   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.825   0.715   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.650   0.715   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.062   0.000   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.888   0.000   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.300  -0.715   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.125  -0.715   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.537  -1.429   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -3.300   0.715   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.412   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.825  -0.715   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.650  -0.715   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.062   0.000   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.650   0.715   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.825   0.715   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.888   0.000   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.300   0.715   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.125   0.715   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       4.537   1.429   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1       3.300  -0.715   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       5.362   1.429   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       5.775   2.143   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.362   2.858   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.537   2.858   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.125   2.143   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.362  -1.429   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.775  -2.143   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.362  -2.858   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.537  -2.858   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.125  -2.143   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   12                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   28   32                                            
CONECT   11    7                                                      
CONECT   12    3   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   23   27                                            
CONECT   22   18                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   21                                                 
CONECT   28   10   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   10                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0RT1R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.394  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.394  -1.031   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.679  -1.444   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.035  -1.031   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.035  -0.206   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.679   0.206   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -2.179   0.049   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1      -2.663  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.179  -1.286   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.893   0.461   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1      -1.965   0.846   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -0.679   1.031   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.750   0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.750   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.464   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.464   2.269   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.750   2.681   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.035   2.269   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.035   1.444   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.750  -1.444   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.750  -2.269   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.464  -2.681   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.179  -2.269   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.179  -1.444   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.464  -1.031   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       2.893  -1.031   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.177   1.034   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       1.352   1.034   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   20                                            
CONECT    5    4    6   13                                            
CONECT    6    5    1   12                                            
CONECT    7    1    8   10   11                                       
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    7                                                      
CONECT   11    7                                                      
CONECT   12    6                                                      
CONECT   13    5   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16   27                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20    4   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   20                                                 
CONECT   26   24                                                      
CONECT   27   15   28                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0RT4U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.001   0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.001   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.287  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.572   0.000   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.572   0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.287   1.238   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.858  -0.412   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.143   0.000   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.858  -1.238   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.429  -0.412   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1      -2.143   0.825   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.715   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.715   0.000   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.715   0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.000   1.238   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.715   0.825   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.429   1.238   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.429  -0.412   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.143   0.000   0.000  1.00  0.00           N  
HETATM   21  O   UNL     1       1.429  -1.238   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       2.858  -0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.572   0.000   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.287  -0.412   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.001   0.000   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       5.001   0.825   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       4.287   1.238   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       3.572   0.825   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   10   11                                            
CONECT    9    7                                                      
CONECT   10    8   12                                                 
CONECT   11    8                                                      
CONECT   12   10   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15                                                      
CONECT   19   14   20   21                                            
CONECT   20   19   22                                                 
CONECT   21   19                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0RT6C
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.342   0.891   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.342   0.066   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.628  -0.347   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.913   0.066   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.913   0.891   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.628   1.303   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.129  -0.189   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.356   0.478   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.129   1.145   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.126   1.930   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.126  -0.974   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.933  -1.145   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       1.485  -0.532   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.188  -1.930   0.000  1.00  0.00           C  
HETATM   15  H   UNL     1      -3.057   1.303   0.000  1.00  0.00           H  
HETATM   16  H   UNL     1      -1.628  -1.172   0.000  1.00  0.00           H  
HETATM   17  C   UNL     1       0.933   2.102   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.188   2.886   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.636   3.499   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.171   3.328   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.426   2.543   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.636  -2.543   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.891  -3.328   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.698  -3.499   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.250  -2.886   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.995  -2.102   0.000  1.00  0.00           C  
HETATM   27  H   UNL     1      -0.723   3.941   0.000  1.00  0.00           H  
HETATM   28  O   UNL     1       0.891   4.284   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1       1.995   3.058   0.000  1.00  0.00           O  
HETATM   30  H   UNL     1       1.485   1.489   0.000  1.00  0.00           H  
HETATM   31  H   UNL     1       2.547  -1.489   0.000  1.00  0.00           H  
HETATM   32  O   UNL     1       3.057  -3.058   0.000  1.00  0.00           O  
HETATM   33  O   UNL     1       1.953  -4.284   0.000  1.00  0.00           O  
HETATM   34  H   UNL     1       0.339  -3.941   0.000  1.00  0.00           H  
HETATM   35  O   UNL     1      -1.270   1.922   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1      -0.556   1.509   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1      -3.057   0.066   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1      -2.343  -0.347   0.000  1.00  0.00           C  
CONECT    1    2    6   15                                            
CONECT    2    1    3   37                                            
CONECT    3    2    4   16                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   35                                            
CONECT    7    4    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9   17   21                                            
CONECT   11    7   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12                                                      
CONECT   14   12   22   26                                            
CONECT   15    1                                                      
CONECT   16    3                                                      
CONECT   17   10   18   30                                            
CONECT   18   17   19   29                                            
CONECT   19   18   20   28                                            
CONECT   20   19   21   27                                            
CONECT   21   20   10                                                 
CONECT   22   14   23                                                 
CONECT   23   22   24   34                                            
CONECT   24   23   25   33                                            
CONECT   25   24   26   32                                            
CONECT   26   25   14   31                                            
CONECT   27   20                                                      
CONECT   28   19                                                      
CONECT   29   18                                                      
CONECT   30   17                                                      
CONECT   31   26                                                      
CONECT   32   25                                                      
CONECT   33   24                                                      
CONECT   34   23                                                      
CONECT   35    6   36                                                 
CONECT   36   35                                                      
CONECT   37    2   38                                                 
CONECT   38   37                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0RT8M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.716   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.716   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.001  -0.206   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.287   0.206   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.287   1.031   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -5.001   1.444   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1      -3.572   1.444   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.858   1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.858   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.429   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.429   1.031   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.143   1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.572  -0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.001  -1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.716  -1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.716  -2.269   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.001  -2.681   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.287  -2.269   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -4.287  -1.444   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1      -2.143  -1.031   0.000  1.00  0.00           F  
HETATM   22  N   UNL     1      -0.715   1.444   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       0.000   1.031   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       0.000   0.206   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       0.715   1.444   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.429   1.031   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.143   1.444   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.143   2.269   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.429   2.681   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.715   2.269   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.858   2.681   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       3.572   2.269   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       3.572   1.444   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.287   1.031   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1       5.001   1.444   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1       5.001   2.269   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.287   2.681   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       5.716   1.031   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   15                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10   14                                            
CONECT   10    9   11   21                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   22                                            
CONECT   13   12    8                                                 
CONECT   14    9                                                      
CONECT   15    3   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   10                                                      
CONECT   22   12   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23                                                      
CONECT   25   23   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   28   32                                                 
CONECT   32   31   33   37                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36   38                                            
CONECT   36   35   37                                                 
CONECT   37   36   32                                                 
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0RU0W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.191  -0.303   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.366  -0.303   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.953   0.411   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.366   1.126   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.191   1.126   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.603   0.411   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.128   0.411   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.643  -0.256   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.141   0.000   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.141   0.825   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.644   1.079   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.856  -0.412   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.571   0.000   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.571   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.856   1.238   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.285  -0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.999   0.000   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.714  -0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.428   0.000   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.428   0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.714   1.238   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.999   0.825   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       2.285  -1.238   0.000  1.00  0.00           O  
HETATM   24 CL   UNL     1      -4.428   0.411   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   24                                            
CONECT    7    3    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11   15                                            
CONECT   11   10    7                                                 
CONECT   12    9   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   23                                            
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   16                                                      
CONECT   24    6                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0RV0O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.254  -0.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.254  -1.063   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.539  -1.476   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.175  -1.063   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.175  -0.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.539   0.174   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.899   0.276   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.703   0.092   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.061  -0.651   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.703  -1.394   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.899  -1.578   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.886  -0.651   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.470  -0.068   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.053  -0.651   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.470  -1.234   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.889  -1.476   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.604  -1.063   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.318  -1.476   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.033  -1.063   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.033  -0.238   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.318   0.174   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.604  -0.238   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1       3.747   0.174   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       4.501  -0.162   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.053   0.452   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.641   1.166   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.833   0.995   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       3.250   1.578   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11                                                 
CONECT   11   10    2                                                 
CONECT   12    9   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   12                                                 
CONECT   16    4   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   20   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   23   28                                            
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0RV2E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.384   0.414   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.384  -0.411   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.669  -0.823   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.955  -0.411   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.955   0.414   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.669   0.827   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.240  -0.823   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.154  -1.644   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.347  -1.815   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.066  -1.101   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.487  -0.488   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.767  -2.196   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.552  -1.941   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.165  -2.493   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.993  -3.300   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.209  -3.555   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.596  -3.003   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.886  -1.015   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.371  -1.682   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       1.222  -0.261   0.000  1.00  0.00           N  
HETATM   21 CL   UNL     1      -4.098   0.827   0.000  1.00  0.00          Cl  
HETATM   22 CL   UNL     1      -0.811  -3.258   0.000  1.00  0.00          Cl  
HETATM   23  C   UNL     1      -0.201   0.319   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.042  -0.175   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.377   0.579   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.198   0.665   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.534   1.419   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.049   2.086   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.228   2.000   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.893   1.246   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.736   0.947   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.638   0.322   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.625  -0.758   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1      -0.543   1.749   0.000  1.00  0.00           N  
HETATM   35  N   UNL     1      -1.246   2.180   0.000  1.00  0.00           N  
HETATM   36  N   UNL     1      -1.874   1.645   0.000  1.00  0.00           N  
HETATM   37  N   UNL     1      -1.558   0.882   0.000  1.00  0.00           N  
HETATM   38  C   UNL     1       3.384   2.840   0.000  1.00  0.00           C  
HETATM   39  F   UNL     1       2.669   3.253   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1       3.796   3.555   0.000  1.00  0.00           F  
HETATM   41  F   UNL     1       4.098   2.428   0.000  1.00  0.00           F  
CONECT    1    2    6   21                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   18                                            
CONECT   11   10    7   23                                            
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   22                                            
CONECT   18   10   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   24   32                                            
CONECT   21    1                                                      
CONECT   22   17                                                      
CONECT   23   11   31                                                 
CONECT   24   20   25   33                                            
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   38                                            
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   23   34   37                                            
CONECT   32   20                                                      
CONECT   33   24                                                      
CONECT   34   31   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   31                                                 
CONECT   38   28   39   40   41                                       
CONECT   39   38                                                      
CONECT   40   38                                                      
CONECT   41   38                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D0RV2Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.372   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.372  -0.825   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.658  -1.238   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.943  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.943   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.658   0.412   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.658   1.238   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.943   1.650   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.229   1.238   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.514   1.650   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.514   2.475   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.229   2.887   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.943   2.475   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1       0.200   1.238   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.286   0.417   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.093   0.245   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.506   0.960   0.000  1.00  0.00           N  
HETATM   18  N   UNL     1       0.954   1.573   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.266  -0.196   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.011  -0.981   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.796  -1.152   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.348  -0.539   0.000  1.00  0.00           C  
HETATM   23  S   UNL     1      -2.658  -2.062   0.000  1.00  0.00           S  
HETATM   24  C   UNL     1      -3.483  -2.062   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.833  -2.062   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.658  -2.887   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       2.155  -0.711   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.491  -1.464   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       3.311  -1.378   0.000  1.00  0.00           N  
HETATM   30  N   UNL     1       3.483  -0.571   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       2.768  -0.159   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.682   0.662   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   23                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15   18                                            
CONECT   15   14   16   19                                            
CONECT   16   15   17   22                                            
CONECT   17   16   18                                                 
CONECT   18   17   14                                                 
CONECT   19   15   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   16   27                                            
CONECT   23    3   24   25   26                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23                                                      
CONECT   27   22   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   27   32                                            
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0RV9D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.844   0.108   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.431  -0.607   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.606  -0.607   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.194   0.108   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.606   0.822   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.431   0.822   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.387   0.279   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.301   1.100   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.054   1.436   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.586   1.512   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.872   1.100   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.157   1.512   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.157   2.337   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.872   2.750   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.586   2.337   0.000  1.00  0.00           C  
HETATM   16 CL   UNL     1      -2.301   2.750   0.000  1.00  0.00          Cl  
HETATM   17  N   UNL     1       0.557   1.100   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.272   1.512   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.986   1.100   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.701   1.512   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.701   2.337   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       1.986   2.750   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       1.272   2.337   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.986   0.275   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.701  -0.138   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.415   0.275   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.415   1.100   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       4.129   1.512   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       4.844   1.100   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       2.701  -0.963   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       3.415  -1.375   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1      -4.844  -1.321   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.431  -2.035   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.844  -2.750   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   32                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10   16                                            
CONECT   16   15                                                      
CONECT   17   12   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21   27                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   19   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   20   28                                            
CONECT   28   27   29                                                 
CONECT   29   28                                                      
CONECT   30   25   31                                                 
CONECT   31   30                                                      
CONECT   32    2   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0RX0M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.089  -1.030   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.089  -1.855   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.375  -2.267   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.660  -1.855   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.660  -1.030   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.375  -0.617   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -4.803  -2.267   0.000  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -1.946  -0.617   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.231  -1.030   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.517  -0.617   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.517   0.208   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.231   0.620   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.946   0.208   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.198  -1.030   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.284  -1.850   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1       1.091  -2.022   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.504  -1.307   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.952  -0.694   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.329  -1.307   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.741  -2.022   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.566  -2.022   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.978  -1.307   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.566  -0.593   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.741  -0.593   0.000  1.00  0.00           C  
HETATM   25  S   UNL     1       3.978   0.122   0.000  1.00  0.00           S  
HETATM   26  N   UNL     1       4.391   0.836   0.000  1.00  0.00           N  
HETATM   27  O   UNL     1       4.803   0.122   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1       3.395   0.705   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.231   1.445   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1      -0.409   1.445   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -1.231   2.267   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -2.053   1.445   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   29   11   13                                            
CONECT   13   12    8                                                 
CONECT   14   10   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   14                                                 
CONECT   19   17   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   19                                                 
CONECT   25   23   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
CONECT   29   30   31   32   12                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0RX2U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.001  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287  -0.412   0.000  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.572  -0.825   0.000  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.858  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.429   0.412   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.143   0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.858   0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.714   0.825   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.000   0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.714   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.714   1.650   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.000   2.062   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.714   1.650   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.143   0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.143   1.650   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.429   2.062   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.858   2.062   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.572   1.650   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       4.287   2.062   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.143   1.650   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       5.001   1.650   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       5.716   2.062   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       6.430   1.650   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       7.145   2.062   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       6.430   0.825   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.716  -0.412   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.430  -0.825   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.430  -1.650   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.716  -2.062   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.001  -1.650   0.000  1.00  0.00           C  
HETATM   34 CL   UNL     1      -7.145  -2.062   0.000  1.00  0.00          Cl  
CONECT    1    2   29   33                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    8   10                                            
CONECT    8    7    9   23                                            
CONECT    9    8    4                                                 
CONECT   10    7   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14   19                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   12   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   13                                                 
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   24                                                 
CONECT   23    8                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29    1   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32    1                                                 
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0RX6D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.762  -0.766   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.762  -1.591   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.047  -2.003   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.333  -1.591   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.333  -0.766   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.047  -0.353   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.452  -1.846   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.937  -1.179   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.452  -0.511   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.707   0.274   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.493   1.071   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.221   1.483   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.221   2.308   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.936   2.720   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.650   2.308   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.650   1.483   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.936   1.071   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.148   1.573   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       1.762  -1.179   0.000  1.00  0.00           O  
HETATM   20 CL   UNL     1      -1.047   0.471   0.000  1.00  0.00          Cl  
HETATM   21  C   UNL     1       0.158  -2.137   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.056  -1.340   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.853  -1.127   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.436  -1.710   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.223  -2.507   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.426  -2.720   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   20                                            
CONECT    7    4    8   21                                            
CONECT    8    7    9   19                                            
CONECT    9    8    5   10                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   18                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   11                                                      
CONECT   19    8                                                      
CONECT   20    6                                                      
CONECT   21    7   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0RX8U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.804  -1.033   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.804  -1.858   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.089  -2.270   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.375  -1.858   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.375  -1.033   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.089  -0.620   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.518  -0.620   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.232  -1.033   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.232  -1.858   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.518  -2.270   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.089   0.205   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.375   0.617   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.660   0.205   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.054   0.617   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.054   1.442   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.660   1.855   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.375   1.442   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.839   0.362   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.324   1.030   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.839   1.697   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.094   2.482   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.901   2.654   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       0.542   3.095   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       2.484   2.070   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.947  -0.620   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1      -4.947  -2.270   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.947   0.205   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.947  -3.095   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.355   1.255   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       3.090   0.881   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       3.674   1.464   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.299   2.199   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.498   1.421   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.947   2.113   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.572   2.848   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.748   2.891   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       1.620   0.881   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   11                                            
CONECT    7    1    8                                                 
CONECT    8    7    9   25                                            
CONECT    9    8   10   26                                            
CONECT   10    9    2                                                 
CONECT   11    6   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   14   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20   22   23                                            
CONECT   22   21   24                                                 
CONECT   23   21                                                      
CONECT   24   22   29   32                                            
CONECT   25    8   27                                                 
CONECT   26    9   28                                                 
CONECT   27   25                                                      
CONECT   28   26                                                      
CONECT   29   24   30   37                                            
CONECT   30   29   31                                                 
CONECT   31   30   32   33                                            
CONECT   32   31   24   36                                            
CONECT   33   31   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   32                                                 
CONECT   37   29                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0RY9I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.650  -0.715   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.475  -0.715   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.888   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.475   0.715   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.650   0.715   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.238   0.000   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.412   0.000   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.000  -0.715   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.825  -0.715   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.238   0.000   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.062   0.000   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.475   0.715   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.300   0.715   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.712   1.429   0.000  1.00  0.00           C  
HETATM   15  B   UNL     1       0.412  -1.429   0.000  1.00  0.00           B  
HETATM   16  O   UNL     1       1.238  -1.429   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.238   1.429   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.712   0.000   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       0.000  -2.143   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.825   0.715   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.062   1.429   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.300   2.143   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.712   0.000   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   18                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   17                                            
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   15                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   20                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   21                                            
CONECT   13   12   14   23                                            
CONECT   14   13   22                                                 
CONECT   15    8   16   19                                            
CONECT   16   15                                                      
CONECT   17    5                                                      
CONECT   18    3                                                      
CONECT   19   15                                                      
CONECT   20   10                                                      
CONECT   21   12                                                      
CONECT   22   14                                                      
CONECT   23   13                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0RY9R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.316  -1.077   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.888  -1.783   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.064  -1.765   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.333  -1.041   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.095  -0.336   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.919  -0.354   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.143   0.454   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.535   0.924   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -1.191   0.425   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.141  -1.095   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.922   0.726   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.547   0.187   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1       1.076   1.536   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.629  -0.430   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.413  -0.689   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.413  -1.514   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.629  -1.765   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.326   0.459   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.480   1.270   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.259   1.542   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.413   2.352   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.788   2.891   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.009   2.619   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.855   1.808   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.362  -2.478   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1      -0.353  -2.891   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1      -0.051  -1.764   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       1.076  -2.066   0.000  1.00  0.00           F  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   25                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1    9                                            
CONECT    7    5    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8    6                                                 
CONECT   10    1   14   17                                            
CONECT   11    7   12   13                                            
CONECT   12   11   18                                                 
CONECT   13   11                                                      
CONECT   14   10   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   10                                                 
CONECT   18   12   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25    3   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0RZ4M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.574  -0.262   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.574  -1.087   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.860  -1.499   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.145  -1.087   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.145  -0.262   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.860   0.151   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.860   0.976   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1      -3.289  -1.499   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.431  -1.499   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.284  -1.087   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.998  -1.499   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.712  -1.087   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.427  -1.499   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.141  -1.087   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.843  -2.213   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.018  -2.213   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.289   0.151   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.289   0.976   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.003   1.389   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.718   0.976   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.718   0.151   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.003  -0.262   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.003   2.213   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.416  -0.976   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.213  -1.189   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.416  -1.801   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.856  -1.499   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       5.213  -1.992   0.000  1.00  0.00           O  
HETATM   29  N   UNL     1       4.498  -1.580   0.000  1.00  0.00           N1+
HETATM   30  O   UNL     1       4.498  -0.754   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       3.784  -1.992   0.000  1.00  0.00           O1-
CONECT    1    2    6   17                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    2                                                      
CONECT    9    4   10   15   16                                       
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   27                                                 
CONECT   15    9                                                      
CONECT   16    9                                                      
CONECT   17   18   22    1                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17   24                                            
CONECT   23   19                                                      
CONECT   24   25   26   22                                            
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   14   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29                                                      
CONECT   31   29                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0RZ5O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       1.011  -0.920   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       1.595  -0.337   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.220   0.398   0.000  1.00  0.00           N  
HETATM    4  N   UNL     1       0.405   0.269   0.000  1.00  0.00           N  
HETATM    5  N   UNL     1       0.276  -0.546   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       2.392  -0.550   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.975   0.033   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.772  -0.180   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       4.355   0.403   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       4.142   1.200   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.345   1.413   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.761   0.830   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.438  -0.958   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.153  -0.546   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.153   0.279   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.867  -0.958   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.582  -0.546   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.296  -0.958   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.011  -0.546   0.000  1.00  0.00           C  
HETATM   20 CL   UNL     1      -4.725  -0.958   0.000  1.00  0.00          Cl  
HETATM   21 CL   UNL     1       4.725   1.783   0.000  1.00  0.00          Cl  
HETATM   22 CL   UNL     1       3.985  -0.977   0.000  1.00  0.00          Cl  
HETATM   23  O   UNL     1      -0.438  -1.783   0.000  1.00  0.00           O  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    1   13                                            
CONECT    6    2    7                                                 
CONECT    7    6    8   12                                            
CONECT    8    7    9   22                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   21                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    5   14   23                                            
CONECT   14   13   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19                                                      
CONECT   21   10                                                      
CONECT   22    8                                                      
CONECT   23   13                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0RZ9C
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.119  -0.135   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.119  -0.960   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.405  -1.372   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.690  -0.960   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.690  -0.135   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.405   0.278   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.024  -1.372   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.739  -0.960   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.739  -0.135   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.024   0.278   0.000  1.00  0.00           C  
HETATM   11 CL   UNL     1      -2.833   0.278   0.000  1.00  0.00          Cl  
HETATM   12  N   UNL     1       1.453  -1.372   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       2.168  -0.135   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.453   0.278   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       2.781   0.417   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1       2.445   1.171   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       1.625   1.085   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.024   1.103   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.739   1.515   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.739   2.340   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.024   2.753   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.690   2.340   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.690   1.515   0.000  1.00  0.00           C  
HETATM   24  F   UNL     1      -2.833  -1.372   0.000  1.00  0.00           F  
HETATM   25  C   UNL     1       1.240  -2.169   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.823  -2.753   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.620  -2.539   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.833  -1.742   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.250  -1.159   0.000  1.00  0.00           C  
CONECT    1    2    6   11                                            
CONECT    2    1    3   24                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10   14                                            
CONECT   10    9    5   18                                            
CONECT   11    1                                                      
CONECT   12    8   25   29                                            
CONECT   13   14   15                                                 
CONECT   14   13    9   17                                            
CONECT   15   13   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   14                                                 
CONECT   18   10   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24    2                                                      
CONECT   25   12   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   12                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0S0DL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.877   0.875   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.066   1.012   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.779   1.783   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.303   2.417   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.114   2.280   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.401   1.509   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.542   0.379   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.747  -0.417   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1      -1.052  -0.858   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1      -0.419  -0.334   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.722   0.431   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1       0.352  -0.621   0.000  1.00  0.00           N  
HETATM   13  S   UNL     1       0.985  -0.097   0.000  1.00  0.00           S  
HETATM   14  C   UNL     1       0.489  -1.431   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.804  -0.174   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.146  -0.921   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.964  -0.999   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.441  -0.329   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.098   0.419   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.280   0.496   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       4.259  -0.406   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       4.735   0.264   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       3.306  -1.746   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       2.830  -2.417   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       0.643   0.651   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1       1.327  -0.844   0.000  1.00  0.00           O  
HETATM   27  N   UNL     1      -4.211   1.372   0.000  1.00  0.00           N1+
HETATM   28  O   UNL     1      -4.735   2.006   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1      -4.498   0.601   0.000  1.00  0.00           O1-
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6   27    5    1                                            
CONECT    7    2    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10    7                                                 
CONECT   12   10   13   14                                            
CONECT   13   12   15   25   26                                       
CONECT   14   12                                                      
CONECT   15   13   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   23                                            
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22                                                 
CONECT   22   21                                                      
CONECT   23   17   24                                                 
CONECT   24   23                                                      
CONECT   25   13                                                      
CONECT   26   13                                                      
CONECT   27   28   29    6                                            
CONECT   28   27                                                      
CONECT   29   27                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0S0EM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.072  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.072  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.357  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.357  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.357  -0.206   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.357   0.206   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.786  -1.444   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.786   1.031   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -3.215   0.206   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.357  -2.269   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1       1.072  -1.444   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.072   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.501   0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.501   1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.786   1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.072   1.031   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       1.786   2.269   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       3.215   1.444   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4   13                                            
CONECT    4    3    5   14                                            
CONECT    5    4    6   15                                            
CONECT    6    5    1                                                 
CONECT    7    1    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9    2                                                 
CONECT   11    7                                                      
CONECT   12    8                                                      
CONECT   13    3                                                      
CONECT   14    4                                                      
CONECT   15    5   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20   21                                            
CONECT   20   19   15                                                 
CONECT   21   19                                                      
CONECT   22   18                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0S0HQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.000   1.856   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.000   1.031   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.715   0.619   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.429   1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.429   1.856   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       0.715   2.269   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.714   2.269   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.429   1.856   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.429   1.031   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.714   0.619   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1      -2.143   0.619   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.858  -0.619   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.858  -1.444   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.143  -1.856   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.429  -1.444   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.429  -0.619   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.715  -0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.715   3.094   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       2.144   2.269   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.144   0.619   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.047  -0.691   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.302  -1.476   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.127  -1.476   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.382  -0.691   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.143  -2.681   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.429  -3.094   0.000  1.00  0.00           N  
HETATM   28  O   UNL     1      -2.858  -3.094   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.714  -2.681   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.111  -2.681   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.302  -1.967   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.858   1.031   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1      -2.858  -0.206   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1      -2.144  -0.619   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4   18                                            
CONECT    4    3    5   21                                            
CONECT    5    4    6   20                                            
CONECT    6    5    1   19                                            
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    2                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   33                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   26                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    3   22   25                                            
CONECT   19    6                                                      
CONECT   20    5                                                      
CONECT   21    4   32                                                 
CONECT   22   18   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   18                                                 
CONECT   26   15   27   28                                            
CONECT   27   26   29                                                 
CONECT   28   26                                                      
CONECT   29   27   30   31                                            
CONECT   30   29   31                                                 
CONECT   31   30   29                                                 
CONECT   32   21                                                      
CONECT   33   13   34                                                 
CONECT   34   33                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0S0II
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.845   1.758   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.845   0.933   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.130   0.520   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.416   0.933   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.416   1.758   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.130   2.170   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1       0.299   0.520   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.013   0.933   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.728   0.520   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       2.442   0.933   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.157   0.520   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.871   0.933   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.871   1.758   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.157   2.170   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.442   1.758   0.000  1.00  0.00           C  
HETATM   16 CL   UNL     1       3.157   2.995   0.000  1.00  0.00          Cl  
HETATM   17  O   UNL     1       1.013   1.758   0.000  1.00  0.00           O  
HETATM   18 CL   UNL     1       4.586   0.520   0.000  1.00  0.00          Cl  
HETATM   19  O   UNL     1       0.299   2.170   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       0.299   2.995   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.559   0.520   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.559  -0.305   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.274   0.933   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.227  -0.790   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.972  -1.574   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.147  -1.574   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.892  -0.790   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.034  -0.618   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1      -4.586  -1.231   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.331  -2.016   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -3.524  -2.187   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1      -1.662  -2.242   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.841  -2.155   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.997  -2.995   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1      -4.288   0.167   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   21                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   19                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   17                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   18                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   10                                                 
CONECT   16   14                                                      
CONECT   17    8                                                      
CONECT   18   12                                                      
CONECT   19    5   20                                                 
CONECT   20   19                                                      
CONECT   21    2   22   23                                            
CONECT   22   21   24   27                                            
CONECT   23   21                                                      
CONECT   24   22   25   28                                            
CONECT   25   24   26   31                                            
CONECT   26   25   27   32                                            
CONECT   27   26   22                                                 
CONECT   28   24   29   35                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   25                                                 
CONECT   32   26   33   34                                            
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   28                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END

$$$$

$$$$

$$$$
D0S0MC
  -OEChem-09301911122D

 62 65  0     0  0  0  0  0  0999 V2000
    6.5155    5.5170    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5584    5.1046    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5655    0.6388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -2.1274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9192    1.1769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600   -1.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600   -1.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -0.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5870   -3.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3600   -0.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3600   -2.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5870    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9192   -3.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2298   -4.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9407   -3.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2298    2.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5620   -5.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2728   -4.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5620    2.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5835   -5.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8726    3.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5835    2.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2048    4.5665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9156    3.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2263    4.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4800   -1.3227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9696   -3.5658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1339   -2.7859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8969   -0.7666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    0.0803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8230   -0.1466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8230   -2.4987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700   -2.7256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8969   -1.8787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.9427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125    1.0490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8365   -4.9006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7480   -3.0267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7768    1.8354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6124    2.6153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7546   -6.1064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6661   -4.2324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -1.3477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -1.3477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1694   -5.7723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4793    3.9501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3909    2.0762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.6327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.8596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3090    3.2819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 34  1  0  0  0  0
  3 19  1  0  0  0  0
  3 27  1  0  0  0  0
  4 17  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  0  0  0  0
  6 17  1  0  0  0  0
  6 23  1  0  0  0  0
  6 47  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 35  1  0  0  0  0
  9 11  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 18  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 19  2  0  0  0  0
 15 44  1  0  0  0  0
 16 20  2  0  0  0  0
 16 45  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 20 46  1  0  0  0  0
 21 24  1  0  0  0  0
 21 48  1  0  0  0  0
 22 25  2  0  0  0  0
 22 49  1  0  0  0  0
 23 26  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 28  2  0  0  0  0
 24 52  1  0  0  0  0
 25 28  1  0  0  0  0
 25 53  1  0  0  0  0
 26 29  2  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 27 54  1  0  0  0  0
 27 55  1  0  0  0  0
 28 56  1  0  0  0  0
 29 32  1  0  0  0  0
 29 57  1  0  0  0  0
 30 33  2  0  0  0  0
 30 58  1  0  0  0  0
 31 59  1  0  0  0  0
 31 60  1  0  0  0  0
 31 61  1  0  0  0  0
 32 34  2  0  0  0  0
 33 34  1  0  0  0  0
 33 62  1  0  0  0  0
M  END

$$$$
D0S0VF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858  -1.238   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.858  -2.062   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.143  -2.475   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429  -2.062   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429  -1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143  -0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.715  -2.475   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.000  -2.062   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.000  -1.238   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.715  -0.825   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.715   0.000   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.429   0.412   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.000   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.715   0.000   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.429   1.238   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.715   1.650   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.000   1.238   0.000  1.00  0.00           C  
HETATM   19  F   UNL     1      -0.715   1.650   0.000  1.00  0.00           F  
HETATM   20  F   UNL     1       0.715  -0.825   0.000  1.00  0.00           F  
HETATM   21  C   UNL     1       2.143   1.650   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.858   1.238   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.143   2.475   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14   18                                            
CONECT   14   13   15   20                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   13   19                                            
CONECT   19   18                                                      
CONECT   20   14                                                      
CONECT   21   16   22   23                                            
CONECT   22   21                                                      
CONECT   23   21                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0S0XT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -8.343  -2.152   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -7.628  -1.740   0.000  1.00  0.00           N  
HETATM    3  CA  UNL     1      -6.914  -2.152   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.199  -1.740   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -5.485  -2.152   0.000  1.00  0.00           N  
HETATM    6  CA  UNL     1      -4.770  -1.740   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.056  -2.152   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.341  -1.740   0.000  1.00  0.00           N  
HETATM    9  CB  UNL     1      -6.914  -2.977   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -6.199  -0.915   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1      -4.056  -2.977   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.770  -0.915   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.056  -0.502   0.000  1.00  0.00           C  
HETATM   14  CA  UNL     1      -2.588  -2.075   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.036  -1.462   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.448  -0.748   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.255  -0.919   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.113   0.006   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.598   0.673   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.422   0.673   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.374  -2.872   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.089  -3.285   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1      -1.791  -3.456   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.004  -4.253   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.421  -4.836   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.624  -4.622   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.410  -3.825   0.000  1.00  0.00           C  
HETATM   28  CA  UNL     1      -0.994  -3.242   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.634  -5.633   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.051  -6.216   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.254  -6.003   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.041  -5.206   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.780  -2.445   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1      -1.364  -1.862   0.000  1.00  0.00           O  
HETATM   35  N   UNL     1       0.017  -2.232   0.000  1.00  0.00           N  
HETATM   36  CA  UNL     1       0.230  -1.435   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       1.027  -1.221   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       1.240  -0.424   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       2.037  -0.211   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       2.251   0.586   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       1.667   1.169   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       0.871   0.956   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       0.657   0.159   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.353  -0.851   0.000  1.00  0.00           C  
HETATM   45  O   UNL     1      -0.140  -0.055   0.000  1.00  0.00           O  
HETATM   46  OXT UNL     1      -1.178  -0.851   0.000  1.00  0.00           O  
HETATM   47  C   UNL     1       1.881   1.966   0.000  1.00  0.00           C  
HETATM   48  N   UNL     1       2.678   2.180   0.000  1.00  0.00           N  
HETATM   49  O   UNL     1       1.298   2.550   0.000  1.00  0.00           O  
HETATM   50  C   UNL     1       2.892   2.977   0.000  1.00  0.00           C  
HETATM   51  C   UNL     1       3.662   3.272   0.000  1.00  0.00           C  
HETATM   52  N   UNL     1       3.619   4.096   0.000  1.00  0.00           N  
HETATM   53  C   UNL     1       2.822   4.310   0.000  1.00  0.00           C  
HETATM   54  C   UNL     1       2.372   3.618   0.000  1.00  0.00           C  
HETATM   55  C   UNL     1       2.107   4.722   0.000  1.00  0.00           C  
HETATM   56  N   UNL     1       1.393   4.310   0.000  1.00  0.00           N  
HETATM   57  O   UNL     1       2.107   5.547   0.000  1.00  0.00           O  
HETATM   58  C   UNL     1       0.678   4.722   0.000  1.00  0.00           C  
HETATM   59  N   UNL     1      -0.036   4.310   0.000  1.00  0.00           N  
HETATM   60  CA  UNL     1      -0.751   4.722   0.000  1.00  0.00           C  
HETATM   61  C   UNL     1      -1.465   4.310   0.000  1.00  0.00           C  
HETATM   62  O   UNL     1      -1.659   3.584   0.000  1.00  0.00           O  
HETATM   63  CA  UNL     1      -2.628   4.691   0.000  1.00  0.00           C  
HETATM   64  C   UNL     1      -2.810   4.010   0.000  1.00  0.00           C  
HETATM   65  C   UNL     1      -3.410   3.664   0.000  1.00  0.00           C  
HETATM   66  C   UNL     1      -4.125   4.076   0.000  1.00  0.00           C  
HETATM   67  C   UNL     1      -4.839   3.664   0.000  1.00  0.00           C  
HETATM   68  C   UNL     1      -4.839   2.839   0.000  1.00  0.00           C  
HETATM   69  C   UNL     1      -4.125   2.426   0.000  1.00  0.00           C  
HETATM   70  C   UNL     1      -3.410   2.839   0.000  1.00  0.00           C  
HETATM   71  O   UNL     1      -5.284   2.394   0.000  1.00  0.00           O  
HETATM   72  C   UNL     1      -5.033   1.457   0.000  1.00  0.00           C  
HETATM   73  C   UNL     1      -3.742   1.457   0.000  1.00  0.00           C  
HETATM   74  O   UNL     1       0.900   5.550   0.000  1.00  0.00           O  
HETATM   75  C   UNL     1      -3.205   5.268   0.000  1.00  0.00           C  
HETATM   76  O   UNL     1      -2.994   6.057   0.000  1.00  0.00           O  
HETATM   77  OXT UNL     1      -3.994   5.057   0.000  1.00  0.00           O  
HETATM   78  N   UNL     1      -1.833   5.149   0.000  1.00  0.00           N  
HETATM   79  C   UNL     1      -0.751   5.547   0.000  1.00  0.00           C  
HETATM   80  C   UNL     1      -1.465   5.960   0.000  1.00  0.00           C  
HETATM   81  C   UNL     1       4.202   4.680   0.000  1.00  0.00           C  
HETATM   82  C   UNL     1       4.999   4.466   0.000  1.00  0.00           C  
HETATM   83  O   UNL     1       3.988   5.476   0.000  1.00  0.00           O  
HETATM   84  C   UNL     1       5.212   3.669   0.000  1.00  0.00           C  
HETATM   85  N   UNL     1       5.582   5.049   0.000  1.00  0.00           N  
HETATM   86  C   UNL     1       6.009   3.456   0.000  1.00  0.00           C  
HETATM   87  C   UNL     1       4.629   3.086   0.000  1.00  0.00           C  
HETATM   88  C   UNL     1       5.426   2.872   0.000  1.00  0.00           C  
HETATM   89  C   UNL     1       6.379   4.836   0.000  1.00  0.00           C  
HETATM   90  C   UNL     1       6.962   5.419   0.000  1.00  0.00           C  
HETATM   91  O   UNL     1       6.593   4.039   0.000  1.00  0.00           O  
HETATM   92  N   UNL     1       7.759   5.206   0.000  1.00  0.00           N  
HETATM   93  C   UNL     1       8.343   5.789   0.000  1.00  0.00           C  
HETATM   94  C   UNL     1       6.749   6.216   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4    9                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    7   12                                            
CONECT    7    6    8   11                                            
CONECT    8    7   14   17                                            
CONECT    9    3                                                      
CONECT   10    4                                                      
CONECT   11    7                                                      
CONECT   12    6   13                                                 
CONECT   13   12                                                      
CONECT   14    8   15   21                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16    8                                                 
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   73                                                 
CONECT   21   14   22   23                                            
CONECT   22   21                                                      
CONECT   23   21   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27   32                                            
CONECT   27   26   28                                                 
CONECT   28   27   23   33                                            
CONECT   29   25   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   26                                                 
CONECT   33   28   34   35                                            
CONECT   34   33                                                      
CONECT   35   33   36                                                 
CONECT   36   35   37   44                                            
CONECT   37   36   38                                                 
CONECT   38   37   39   43                                            
CONECT   39   38   40                                                 
CONECT   40   39   41                                                 
CONECT   41   40   42   47                                            
CONECT   42   41   43                                                 
CONECT   43   42   38                                                 
CONECT   44   36   45   46                                            
CONECT   45   44                                                      
CONECT   46   44                                                      
CONECT   47   41   48   49                                            
CONECT   48   47   50                                                 
CONECT   49   47                                                      
CONECT   50   48   51   54                                            
CONECT   51   50   52                                                 
CONECT   52   51   53   81                                            
CONECT   53   52   54   55                                            
CONECT   54   53   50                                                 
CONECT   55   53   56   57                                            
CONECT   56   55   58                                                 
CONECT   57   55                                                      
CONECT   58   56   59   74                                            
CONECT   59   58   60                                                 
CONECT   60   59   61   79                                            
CONECT   61   60   62   78                                            
CONECT   62   61                                                      
CONECT   63   64   75   78                                            
CONECT   64   63   65                                                 
CONECT   65   64   66   70                                            
CONECT   66   65   67                                                 
CONECT   67   66   68                                                 
CONECT   68   67   69   71                                            
CONECT   69   68   70                                                 
CONECT   70   69   65                                                 
CONECT   71   68   72                                                 
CONECT   72   71   73                                                 
CONECT   73   72   20                                                 
CONECT   74   58                                                      
CONECT   75   63   76   77                                            
CONECT   76   75                                                      
CONECT   77   75                                                      
CONECT   78   63   61                                                 
CONECT   79   60   80                                                 
CONECT   80   79                                                      
CONECT   81   52   82   83                                            
CONECT   82   81   84   85                                            
CONECT   83   81                                                      
CONECT   84   82   86   87   88                                       
CONECT   85   82   89                                                 
CONECT   86   84                                                      
CONECT   87   84                                                      
CONECT   88   84                                                      
CONECT   89   85   90   91                                            
CONECT   90   89   92   94                                            
CONECT   91   89                                                      
CONECT   92   90   93                                                 
CONECT   93   92                                                      
CONECT   94   90                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
M  END

$$$$
D0S1DI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.111  -0.617   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.111  -1.439   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.400  -1.850   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.312  -1.439   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.312  -0.617   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.400  -0.205   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.024  -1.850   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.736  -1.439   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.448  -1.850   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.160  -1.439   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.160  -0.617   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.448  -0.205   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.736  -0.617   0.000  1.00  0.00           C  
HETATM   14  S   UNL     1       3.942  -1.693   0.000  1.00  0.00           S  
HETATM   15  C   UNL     1       4.426  -1.028   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.942  -0.362   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1      -0.400   0.617   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.312   1.028   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.024   0.617   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.312   1.850   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.823  -0.205   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1      -1.909   0.612   0.000  1.00  0.00           S  
HETATM   23  C   UNL     1      -2.714   0.783   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.125   0.071   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.575  -0.540   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.048   1.534   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.942  -0.015   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.277  -0.766   0.000  1.00  0.00           O  
HETATM   29  N   UNL     1      -4.426   0.650   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.091   1.401   0.000  1.00  0.00           C  
CONECT    1    2    6   21                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   17                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    6   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21    1   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25   27                                            
CONECT   25   24   21                                                 
CONECT   26   23                                                      
CONECT   27   24   28   29                                            
CONECT   28   27                                                      
CONECT   29   30   27                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0S1OV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.250  -0.121   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.250  -0.946   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.536  -1.358   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.821  -0.946   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.821  -0.121   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.536   0.292   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.536   1.117   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.821   1.529   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.107   1.117   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.392   1.529   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.392   2.354   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.107   2.767   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.821   2.354   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.678   1.117   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.592   0.296   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       0.215   0.125   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.628   0.839   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.076   1.452   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.144  -0.317   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.889  -1.101   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.082  -1.273   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.470  -0.660   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.536  -2.183   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.119  -2.767   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1       1.277  -0.831   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       1.829  -0.218   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.636  -0.390   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.891  -1.174   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.698  -1.346   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.250  -0.733   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.995   0.052   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.188   0.223   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1      -2.773  -2.499   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1      -2.119  -1.997   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.357  -2.312   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   23                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15   18                                            
CONECT   15   14   16   19                                            
CONECT   16   15   17   22                                            
CONECT   17   16   18                                                 
CONECT   18   17   14                                                 
CONECT   19   15   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   16   25                                            
CONECT   23    3   24   33                                            
CONECT   24   23                                                      
CONECT   25   22   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   23   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0S2ED
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.420   0.906   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.420   0.081   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.706  -0.332   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.991   0.081   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.991   0.906   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.706   1.318   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.277   1.318   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.562   0.906   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.848   1.318   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.848   2.143   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.562   2.556   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.277   2.143   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.063   1.063   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.578   1.731   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.063   2.398   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       0.247   1.731   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.659   1.016   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       0.659   2.445   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.484   1.016   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.897   0.302   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.722   0.302   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       3.134  -0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.959  -0.412   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.372   0.302   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.959   1.016   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.134   1.016   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       5.197   0.302   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.609  -0.412   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       6.434  -0.412   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       6.847   0.302   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       6.434   1.016   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.609   1.016   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       6.847  -1.127   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1       6.434  -1.841   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       5.609  -1.841   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1       6.847  -2.556   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1      -6.135  -0.332   0.000  1.00  0.00           C  
HETATM   38  N   UNL     1      -6.847  -0.743   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2   37    1    3                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    9   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   10                                                 
CONECT   16   14   17   18                                            
CONECT   17   16   19                                                 
CONECT   18   16                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   24   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30   33                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   29   34                                                 
CONECT   34   33   35   36                                            
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   38    2                                                 
CONECT   38   37                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0S2JF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.664   0.072   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.664  -0.753   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.050  -1.165   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.765  -0.753   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.765   0.072   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.050   0.485   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.479   0.485   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.194   0.072   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1       1.479   1.310   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1       2.280  -0.748   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       3.087  -0.920   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.499  -0.205   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.947   0.408   0.000  1.00  0.00           C  
HETATM   14  F   UNL     1       4.320  -0.119   0.000  1.00  0.00           F  
HETATM   15  N   UNL     1       3.422  -1.674   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1      -1.418  -0.417   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.970  -1.030   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.557  -1.745   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.750  -1.573   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.589   0.390   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.374   0.645   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.546   1.452   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.330   1.706   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.943   1.154   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.772   0.347   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.987   0.093   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.502   2.513   0.000  1.00  0.00           C  
HETATM   28 CL   UNL     1      -4.728   1.409   0.000  1.00  0.00          Cl  
HETATM   29  C   UNL     1       4.243  -1.760   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       4.728  -1.092   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       4.579  -2.513   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   16   19                                       
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10   13                                            
CONECT    9    7                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13   14                                            
CONECT   13   12    8                                                 
CONECT   14   12                                                      
CONECT   15   11   29                                                 
CONECT   16    2   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18    2                                                 
CONECT   20   16   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   27                                            
CONECT   24   23   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   23                                                      
CONECT   28   24                                                      
CONECT   29   15   30   31                                            
CONECT   30   29                                                      
CONECT   31   29                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0S2LV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.551   0.240   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.551  -0.585   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.837  -0.997   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.122  -0.585   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.122   0.240   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.837   0.653   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.408   0.653   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.306   0.240   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.021   0.653   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.736   0.240   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.450   0.653   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.450   1.478   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.736   1.890   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.021   1.478   0.000  1.00  0.00           C  
HETATM   15 CL   UNL     1       3.164   0.240   0.000  1.00  0.00          Cl  
HETATM   16  N   UNL     1      -3.164  -1.137   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1      -2.829  -1.890   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.008  -1.804   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1       3.164   1.890   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3   16                                            
CONECT    3    2    4   18                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13   19                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   11                                                      
CONECT   16    2   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17    3                                                 
CONECT   19   12                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D0S2ME
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.870   1.892   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.870   1.067   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.155   0.654   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.441   1.067   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.441   1.892   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.155   2.304   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.726   0.654   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.640  -0.166   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.833  -0.338   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -0.421   0.377   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.973   0.990   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.253  -0.719   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.038  -0.464   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.651  -1.016   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.480  -1.823   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.695  -2.078   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.082  -1.525   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.400   0.463   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.885  -0.205   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1       0.735   1.216   0.000  1.00  0.00           N  
HETATM   21  S   UNL     1       1.560   1.216   0.000  1.00  0.00           S  
HETATM   22  C   UNL     1       2.385   1.216   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.560   2.041   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       1.560   0.391   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       2.798   0.502   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.623   0.502   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.035   1.216   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.623   1.931   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.798   1.931   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.885  -1.030   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.599  -1.442   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       1.599  -2.267   0.000  1.00  0.00           O  
HETATM   33  N   UNL     1       2.313  -1.030   0.000  1.00  0.00           N  
HETATM   34 CL   UNL     1       4.860   1.216   0.000  1.00  0.00          Cl  
HETATM   35  C   UNL     1       0.170  -1.442   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1      -4.146  -2.304   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1      -4.860  -1.892   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    8   11    4                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   18                                            
CONECT   11   10    7                                                 
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   36                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   10   19   20                                            
CONECT   19   18   30                                                 
CONECT   20   18   21                                                 
CONECT   21   20   22   23   24                                       
CONECT   22   21   25   29                                            
CONECT   23   21                                                      
CONECT   24   21                                                      
CONECT   25   22   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   34                                            
CONECT   28   27   29                                                 
CONECT   29   28   22                                                 
CONECT   30   19   31   35                                            
CONECT   31   30   32   33                                            
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   27                                                      
CONECT   35   30                                                      
CONECT   36   15   37                                                 
CONECT   37   36                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0S2SS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   0.412   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.357  -1.238   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.357  -0.825   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.357   0.000   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.357   0.412   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.357   1.238   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.357   1.650   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.072   1.238   0.000  1.00  0.00           N  
HETATM   14  O   UNL     1       0.357   2.475   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.072  -1.238   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.072  -2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.786  -2.475   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.501  -2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.501  -1.238   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.786  -0.825   0.000  1.00  0.00           C  
HETATM   21  H   UNL     1       0.357  -2.475   0.000  1.00  0.00           H  
HETATM   22  C   UNL     1       2.500   1.238   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.786   1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.142   0.619   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.427   1.031   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   15                                            
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   23   25                                            
CONECT   14   12                                                      
CONECT   15    8   16   20                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   16                                                      
CONECT   22   23                                                      
CONECT   23   13   22                                                 
CONECT   24   25                                                      
CONECT   25   13   24                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0S2UD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.102  -1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.102  -1.856   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.388  -2.269   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.327  -1.856   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.327  -1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.388  -0.619   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.111  -2.111   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.596  -1.444   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.111  -0.776   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -1.817  -2.269   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.817  -3.094   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.102  -3.506   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.388  -3.094   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.817  -0.619   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.531  -1.031   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1      -1.817   0.206   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.246  -0.619   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.421  -1.444   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.834  -0.729   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.659  -0.729   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.071  -0.015   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.659   0.700   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.834   0.700   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.421  -0.015   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1       1.596  -0.015   0.000  1.00  0.00           F  
HETATM   26 CL   UNL     1       4.071  -1.444   0.000  1.00  0.00          Cl  
HETATM   27  C   UNL     1      -3.246   0.206   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.531   0.619   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.531   1.444   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.246   1.856   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.960   1.444   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.960   0.619   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.246   2.681   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1      -4.071   2.681   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -3.246   3.506   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1      -2.421   2.681   0.000  1.00  0.00           F  
CONECT    1    2    6   14                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4   13                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   18                                            
CONECT    9    8    5                                                 
CONECT   10    2   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    3                                                 
CONECT   14    1   15   16                                            
CONECT   15   14   17                                                 
CONECT   16   14                                                      
CONECT   17   15   27                                                 
CONECT   18    8   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21   26                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19   25                                            
CONECT   25   24                                                      
CONECT   26   20                                                      
CONECT   27   17   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   30   34   35   36                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0S3AL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.134  -1.567   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.134  -2.389   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.422  -2.800   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.710  -2.389   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.710  -1.567   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.422  -1.155   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.998  -1.155   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.286  -1.567   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.574  -1.155   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.862  -1.567   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.150  -1.155   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.150  -0.333   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.862   0.078   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.574  -0.333   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.562   0.078   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.313  -0.257   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.863   0.354   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.452   1.066   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1       0.648   0.895   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.681   0.268   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.037   1.446   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.015  -0.483   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.833  -0.569   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.316   0.097   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.982   0.848   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.164   0.933   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       0.208   2.250   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -0.403   2.800   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.185   2.546   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.356   1.742   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -0.745   1.191   0.000  1.00  0.00           N  
HETATM   32  F   UNL     1       5.134   0.011   0.000  1.00  0.00           F  
HETATM   33  C   UNL     1      -3.211  -0.359   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1      -4.005  -0.146   0.000  1.00  0.00           O  
HETATM   35  O   UNL     1      -2.630   0.223   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1      -2.843   1.017   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7   33    5    8                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   15   21                                            
CONECT   20   17   22   26                                            
CONECT   21   19   27   31                                            
CONECT   22   20   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   32                                            
CONECT   25   24   26                                                 
CONECT   26   25   20                                                 
CONECT   27   21   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   21                                                 
CONECT   32   24                                                      
CONECT   33   34   35    7                                            
CONECT   34   33                                                      
CONECT   35   36   33                                                 
CONECT   36   35                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0S3AP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.657   0.290   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.657  -0.535   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.942  -0.948   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.228  -0.535   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.228   0.290   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.942   0.702   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.942   1.527   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.228   1.940   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.513   1.527   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.201   1.940   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.201   2.765   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.513   3.177   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.228   2.765   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1       0.915   1.527   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.002   0.707   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.809   0.535   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.221   1.250   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.669   1.863   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.450   0.094   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.705  -0.691   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.512  -0.862   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.064  -0.249   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.942  -1.773   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.871  -0.421   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       3.126  -1.205   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.933  -1.377   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.484  -0.764   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.230   0.021   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.423   0.192   0.000  1.00  0.00           C  
HETATM   30  S   UNL     1       5.292  -0.935   0.000  1.00  0.00           S  
HETATM   31  O   UNL     1       5.704  -0.221   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       6.088  -1.149   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       5.078  -1.732   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1      -1.228  -2.185   0.000  1.00  0.00           O  
HETATM   35  N   UNL     1      -2.657  -2.185   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1      -3.410  -1.850   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.962  -2.463   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.550  -3.177   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.743  -3.006   0.000  1.00  0.00           C  
HETATM   40  O   UNL     1      -4.783  -2.377   0.000  1.00  0.00           O  
HETATM   41  C   UNL     1      -5.268  -3.044   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.088  -2.958   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   23                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15   18                                            
CONECT   15   14   16   19                                            
CONECT   16   15   17   22                                            
CONECT   17   16   18                                                 
CONECT   18   17   14                                                 
CONECT   19   15   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   16   24                                            
CONECT   23    3   34   35                                            
CONECT   24   22   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
CONECT   34   23                                                      
CONECT   35   23   36   39                                            
CONECT   36   35   37                                                 
CONECT   37   36   38   40                                            
CONECT   38   37   39                                                 
CONECT   39   38   35                                                 
CONECT   40   37   41                                                 
CONECT   41   40   42                                                 
CONECT   42   41                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D0S3ON
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.938   0.278   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.938  -0.547   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.224  -0.960   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.509  -0.547   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.509   0.278   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.224   0.690   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.652   0.690   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -5.367   0.278   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.652  -0.960   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.795   0.690   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.080   0.278   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.366   0.690   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.349   0.278   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.949   1.273   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.218   1.273   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.435  -0.543   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.242  -0.715   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.655   0.000   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.103   0.613   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.655  -1.429   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.479  -1.429   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.892  -0.715   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.479   0.000   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.892   0.715   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       2.479   1.429   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1       3.717   0.715   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       4.130   0.000   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.955   0.000   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       5.367   0.715   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       4.955   1.429   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.130   1.429   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7                                                      
CONECT    9    2                                                      
CONECT   10    5   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14   15                                       
CONECT   13   12   16   19                                            
CONECT   14   12                                                      
CONECT   15   12                                                      
CONECT   16   13   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19   23                                            
CONECT   19   18   13                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18   24                                            
CONECT   24   23   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0S3PN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072   1.444   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.501  -0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.357   1.444   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.072   1.031   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       0.357   2.269   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.072   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.501   0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.501   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.786   1.444   0.000  1.00  0.00           C  
HETATM   16  S   UNL     1       3.215   1.444   0.000  1.00  0.00           S  
HETATM   17  O   UNL     1       2.803   2.158   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       3.628   0.729   0.000  1.00  0.00           O  
HETATM   19  N   UNL     1       3.930   1.856   0.000  1.00  0.00           N  
HETATM   20 CL   UNL     1       3.215  -0.206   0.000  1.00  0.00          Cl  
HETATM   21  C   UNL     1      -3.215   0.206   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.930  -0.206   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.930  -1.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.215  -1.444   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.215  -2.269   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2   21   25                                            
CONECT    8    5    9   10                                            
CONECT    9    8   11   15                                            
CONECT   10    8                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   20                                            
CONECT   14   13   15   16                                            
CONECT   15   14    9                                                 
CONECT   16   14   17   18   19                                       
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19   16                                                      
CONECT   20   13                                                      
CONECT   21    7   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24    7                                                 
CONECT   26   24                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0S3QX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.601  -0.896   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.601  -1.721   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.886  -2.133   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.172  -1.721   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.172  -0.896   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.886  -0.483   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.458  -2.133   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.257  -1.721   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.257  -0.896   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.458  -0.483   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.886   0.342   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.886  -2.958   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.458  -2.958   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.972  -0.483   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.126   0.100   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.951   0.100   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.363   0.815   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.951   1.529   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.126   1.529   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.287   0.815   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.188   0.815   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.601   1.529   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.188   2.244   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.363   2.244   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       1.363  -0.614   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.112   0.815   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       0.951   2.958   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1       2.601   0.100   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   12                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8   13                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9    5   15                                            
CONECT   11    6                                                      
CONECT   12    3                                                      
CONECT   13    7                                                      
CONECT   14    9                                                      
CONECT   15   10   16   20                                            
CONECT   16   15   17   25                                            
CONECT   17   16   18   21                                            
CONECT   18   17   19   24                                            
CONECT   19   18   20                                                 
CONECT   20   19   15   26                                            
CONECT   21   17   22   28                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   18   27                                            
CONECT   25   16                                                      
CONECT   26   20                                                      
CONECT   27   24                                                      
CONECT   28   21                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0S3RX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.778   1.927   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.778   1.102   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.064   0.689   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.349   1.102   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.349   1.927   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.064   2.339   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.635   0.689   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.549  -0.131   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.742  -0.303   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -0.329   0.412   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1      -0.881   1.025   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.162  -0.683   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.946  -0.428   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.559  -0.980   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.388  -1.787   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.603  -2.042   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.990  -1.490   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -4.493   2.339   0.000  1.00  0.00          Cl  
HETATM   19 CL   UNL     1      -1.635   2.339   0.000  1.00  0.00          Cl  
HETATM   20 CL   UNL     1      -4.001  -2.339   0.000  1.00  0.00          Cl  
HETATM   21 CL   UNL     1      -1.206  -1.745   0.000  1.00  0.00          Cl  
HETATM   22  C   UNL     1       0.491   0.498   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.976  -0.169   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       0.763  -0.966   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1       1.787  -0.019   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       4.493  -0.581   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.778  -0.168   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.064  -0.581   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.349  -0.168   0.000  1.00  0.00           C  
CONECT    1    2    6   18                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   19                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   22                                            
CONECT   11   10    7                                                 
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   21                                            
CONECT   18    1                                                      
CONECT   19    5                                                      
CONECT   20   15                                                      
CONECT   21   17                                                      
CONECT   22   10   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23                                                      
CONECT   25   23   29                                                 
CONECT   26   27                                                      
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   25   28                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0S3TL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.852   0.100   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.567   0.512   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.138   0.512   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.423   0.100   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.709   0.512   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       0.006   0.100   0.000  1.00  0.00           N  
HETATM    7  O   UNL     1      -0.709   1.337   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.006  -0.725   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.720  -1.138   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       1.435  -0.725   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.435   0.100   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.720   0.512   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.219  -0.980   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       2.704  -0.313   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       2.219   0.355   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       2.474  -1.765   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -4.281   0.100   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.631   0.767   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.043   0.053   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.869   0.053   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.281   0.767   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.869   1.482   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.043   1.482   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.110   0.754   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.896   1.551   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.099   1.765   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.516   1.181   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.730   0.384   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.526   0.171   0.000  1.00  0.00           C  
CONECT    1    2    3                                                 
CONECT    2    1   17                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    8   12                                            
CONECT    7    5                                                      
CONECT    8    6    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12   15                                            
CONECT   12   11    6                                                 
CONECT   13   10   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   11   18   24                                       
CONECT   16   13                                                      
CONECT   17    2                                                      
CONECT   18   15   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   15   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0S3ZB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.300  -0.706   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.888  -1.420   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.062  -1.420   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.650  -0.706   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.062   0.009   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.888   0.009   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.825  -0.706   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.412   0.009   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.412  -1.420   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.412  -1.420   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.825  -2.135   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.650  -2.135   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.062  -1.420   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.650  -0.706   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.825  -0.706   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.888  -1.420   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.300  -2.135   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       3.300  -0.706   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       2.888   0.009   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       0.408   0.095   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1       0.580   0.902   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.135   1.314   0.000  1.00  0.00           C  
HETATM   23  S   UNL     1      -0.748   0.762   0.000  1.00  0.00           S  
HETATM   24  C   UNL     1      -0.221   2.135   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   20   23                                            
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18                                                      
CONECT   20    8   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22    8                                                 
CONECT   24   22                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0S4IB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.856   1.546   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.856   0.724   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.144   0.313   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.568   0.724   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.568   1.546   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.144   1.957   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.280   1.957   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.280   2.779   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.568   3.191   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.144   2.779   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       1.992   1.546   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1       1.280   0.313   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.280  -0.509   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.568   0.313   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.280   0.724   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.992   0.313   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.992  -0.509   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.280  -0.920   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.568  -0.509   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.174  -2.439   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.658  -3.104   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.840  -3.191   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.992  -2.353   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.615  -0.992   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       0.869  -1.774   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1       1.691  -1.774   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       1.945  -0.992   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   14                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   12                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1   10                                            
CONECT    7    5    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    6                                                 
CONECT   11    7                                                      
CONECT   12    4   13                                                 
CONECT   13   12   24   27                                            
CONECT   14    2   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   21   22   23   26                                       
CONECT   21   20                                                      
CONECT   22   20                                                      
CONECT   23   20                                                      
CONECT   24   13   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   20                                            
CONECT   27   26   13                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0S4OP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.151  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.151  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.866  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.580  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.580  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.866  -0.412   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.365  -1.905   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.849  -1.238   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.365  -0.570   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.619  -2.690   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.067  -3.303   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.426  -2.861   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.619   0.215   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.866   0.412   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.151   0.825   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       1.580   0.825   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.580   1.650   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.564  -2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.278  -1.650   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.992  -2.062   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.992  -2.888   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.278  -3.300   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.564  -2.888   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.707  -3.300   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.421  -2.888   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.136  -3.300   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.136  -4.125   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.421  -4.537   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.707  -4.125   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.294   2.062   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.009   2.475   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.009   3.300   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.294   3.712   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       1.580   3.300   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       1.580   2.475   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.723   2.062   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.136   1.348   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       3.421   0.935   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       3.741  -0.086   0.000  1.00  0.00           C  
HETATM   40  O   UNL     1       0.866   2.062   0.000  1.00  0.00           O  
HETATM   41  C   UNL     1       2.294   4.537   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   14                                            
CONECT    7    4    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   13                                            
CONECT   10    7   11   12                                            
CONECT   11   10                                                      
CONECT   12   10                                                      
CONECT   13    9   39                                                 
CONECT   14    6   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17                                                 
CONECT   17   16   30                                                 
CONECT   18    2   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   21   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   17   31   35                                            
CONECT   31   30   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34   41                                            
CONECT   34   33   35                                                 
CONECT   35   34   30   40                                            
CONECT   36   31   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   13   38                                                 
CONECT   40   35                                                      
CONECT   41   33                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D0S4TH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.367   0.071   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.367  -0.754   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.652  -1.167   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.938  -0.754   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.938   0.071   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.652   0.483   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.153  -1.009   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -0.668  -0.342   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.153   0.326   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.898  -1.794   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.450  -2.407   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.195  -3.191   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.388  -3.363   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.164  -2.750   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.091  -1.965   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.461  -1.352   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.013  -0.739   0.000  1.00  0.00           N  
HETATM   18  N   UNL     1      -0.898   1.110   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.091   1.282   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.461   0.669   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.268   0.840   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.523   1.625   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.971   2.238   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.164   2.067   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.330   1.796   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.882   1.183   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.652   1.308   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       2.585   2.581   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1       3.367   2.327   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1       2.839   3.363   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1       1.803   2.835   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   27                                            
CONECT    7    4    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   18                                            
CONECT   10   11   15    7                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10   16                                            
CONECT   16   17   15                                                 
CONECT   17   16                                                      
CONECT   18    9   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   28   26   22                                            
CONECT   26   25                                                      
CONECT   27    6                                                      
CONECT   28   29   30   31   25                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0S4UG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.824   0.084   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.001   0.080   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.413   0.794   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.238   0.794   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.494   1.579   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.826   2.064   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.159   1.579   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.651   0.080   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.476   0.080   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.889  -0.635   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.889   0.794   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.231   0.802   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.056   0.802   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.474   0.084   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.056  -0.634   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.231  -0.634   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.383   1.008   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.476  -1.349   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.889  -2.064   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.713  -2.064   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.126  -1.349   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.713  -0.635   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.651  -1.349   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       1.238  -0.635   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       0.413  -0.635   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.001  -1.349   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.413  -2.064   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       1.238  -2.064   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.301   0.084   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1      -3.301  -0.741   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -4.126   0.084   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -3.301   0.909   0.000  1.00  0.00           F  
CONECT    1    2   12   16                                            
CONECT    2    1    3                                                 
CONECT    3    4    7    2   17                                       
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    3                                                 
CONECT    8    9    4                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   18   22                                            
CONECT   11    9                                                      
CONECT   12    1   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   29                                            
CONECT   15   14   16                                                 
CONECT   16   15    1                                                 
CONECT   17    3                                                      
CONECT   18   10   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   10                                                 
CONECT   23   18   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   14   30   31   32                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0S4XH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.314  -1.318   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.314  -2.143   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       3.029  -2.556   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       3.743  -2.143   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       3.743  -1.318   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.029  -0.906   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1       1.530  -1.063   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1       1.045  -1.731   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.530  -2.398   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.220  -1.731   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.193  -1.016   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.018  -1.016   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.430  -1.731   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.018  -2.445   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.193  -2.445   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.255  -1.731   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.029  -0.081   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       3.743   0.332   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.458  -0.081   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       5.172   0.332   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       5.172   1.157   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.458   1.569   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.743   1.157   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.668  -1.016   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.255  -0.302   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.668   0.412   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -3.493   0.412   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.905  -0.302   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.493  -1.016   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.905   1.127   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.730   1.127   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1      -3.493   1.841   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -5.143   1.841   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.968   1.841   0.000  1.00  0.00           C  
HETATM   35  O   UNL     1      -6.380   2.556   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1      -7.205   2.556   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.618   1.841   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1      -8.443   1.841   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1      -8.855   1.127   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.443   0.412   0.000  1.00  0.00           C  
HETATM   41  O   UNL     1      -7.618   0.412   0.000  1.00  0.00           O  
HETATM   42  C   UNL     1      -7.205  -0.302   0.000  1.00  0.00           C  
HETATM   43  F   UNL     1       3.029   1.569   0.000  1.00  0.00           F  
HETATM   44  N   UNL     1       5.887   1.569   0.000  1.00  0.00           N  
HETATM   45  C   UNL     1       6.601   1.157   0.000  1.00  0.00           C  
HETATM   46  N   UNL     1       7.316   1.569   0.000  1.00  0.00           N  
HETATM   47  O   UNL     1       6.601   0.332   0.000  1.00  0.00           O  
HETATM   48  C   UNL     1       8.030   1.157   0.000  1.00  0.00           C  
HETATM   49  C   UNL     1       8.443   0.442   0.000  1.00  0.00           C  
HETATM   50  C   UNL     1       8.855   1.157   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   17                                            
CONECT    7    1    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   24                                                 
CONECT   17    6   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   44                                            
CONECT   22   21   23                                                 
CONECT   23   22   18   43                                            
CONECT   24   16   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27   31   32                                            
CONECT   31   30   33                                                 
CONECT   32   30                                                      
CONECT   33   31   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41                                                 
CONECT   41   40   42                                                 
CONECT   42   41                                                      
CONECT   43   23                                                      
CONECT   44   21   45                                                 
CONECT   45   44   46   47                                            
CONECT   46   45   48                                                 
CONECT   47   45                                                      
CONECT   48   46   49   50                                            
CONECT   49   48   50                                                 
CONECT   50   49   48                                                 
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
M  END

$$$$
D0S4YD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.540   2.227   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.540   1.402   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.825   0.990   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.111   1.402   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.111   2.227   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.825   2.640   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.396   0.990   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.682   1.402   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.967   0.990   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.253   1.402   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.538   0.990   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.824   1.402   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.109   0.990   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.605   1.402   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.320   0.990   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.034   1.402   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.320   0.165   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1      -0.824   2.227   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1      -2.967   0.165   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       2.788   1.067   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.340   1.680   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.927   2.394   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.120   2.223   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.959   0.260   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       2.346  -0.292   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1       3.744   0.005   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       4.357   0.557   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.142   0.302   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       5.755   0.854   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       6.540   0.599   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       5.313  -0.505   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       4.186   1.364   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.799   1.916   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.627   2.723   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       5.583   1.661   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.538   0.165   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.253  -0.248   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.253  -1.073   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.538  -1.485   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.538  -2.310   0.000  1.00  0.00           C  
HETATM   41  O   UNL     1      -2.253  -2.723   0.000  1.00  0.00           O  
HETATM   42  O   UNL     1      -0.824  -2.723   0.000  1.00  0.00           O  
HETATM   43  C   UNL     1      -0.109  -2.310   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       0.605  -2.723   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1       0.605   2.227   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1       1.320   2.640   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1      -0.109   2.640   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   19                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   36                                            
CONECT   12   11   13   18                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   45                                            
CONECT   15   14   16   17                                            
CONECT   16   15   20   23                                            
CONECT   17   15                                                      
CONECT   18   12                                                      
CONECT   19    9                                                      
CONECT   20   16   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   16                                                 
CONECT   24   20   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27                                                 
CONECT   27   26   28   32                                            
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29                                                      
CONECT   31   28                                                      
CONECT   32   27   33                                                 
CONECT   33   32   34   35                                            
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   11   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41   42                                            
CONECT   41   40                                                      
CONECT   42   40   43                                                 
CONECT   43   42   44                                                 
CONECT   44   43                                                      
CONECT   45   14   46   47                                            
CONECT   46   45                                                      
CONECT   47   45                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
M  END

$$$$
D0S5BD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.885   2.007   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.473   1.293   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.648   1.293   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.235   2.007   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.648   2.722   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.473   2.722   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.235   3.436   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.885   0.578   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.235   0.578   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.823  -0.136   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.002  -0.136   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.415   0.578   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.002   1.293   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.823   1.293   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.648  -0.961   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.362  -1.374   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.362  -2.199   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.648  -2.611   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.933  -2.199   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.933  -1.374   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.648  -3.436   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.240   0.578   0.000  1.00  0.00           N  
HETATM   23  S   UNL     1      -1.648  -0.136   0.000  1.00  0.00           S  
HETATM   24  O   UNL     1      -2.360   0.275   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.936  -0.547   0.000  1.00  0.00           O  
HETATM   26  S   UNL     1       1.652  -0.136   0.000  1.00  0.00           S  
HETATM   27  O   UNL     1       0.940  -0.547   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1       2.364   0.275   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       2.063  -0.848   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1       2.885  -0.848   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1       2.474  -1.560   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       1.652  -1.560   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    2                                                      
CONECT    9   23   10   14    3                                       
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   22                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   23   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18                                                      
CONECT   22   26   12                                                 
CONECT   23   24   25    9   15                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   27   28   29   22                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   30   31   32   26                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0S5ID
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.134  -0.549   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.134  -1.374   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.420  -1.787   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.705  -1.374   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.705  -0.549   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.420  -0.137   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.849  -0.137   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.563  -0.549   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.563  -1.374   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.849  -1.787   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.009  -0.137   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.763  -0.472   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.315   0.141   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1       0.903   0.855   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.096   0.684   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.136   0.054   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.849   0.688   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.134   1.101   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1      -3.563   1.101   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.277  -1.787   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.849  -2.612   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.563  -3.024   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.134  -3.024   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.776   1.897   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.364   2.612   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.079   3.024   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.491   2.310   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.471  -0.699   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.292  -0.785   0.000  1.00  0.00           C  
HETATM   30  S   UNL     1       3.776  -0.118   0.000  1.00  0.00           S  
HETATM   31  C   UNL     1       3.441   0.636   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.620   0.722   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       4.491   0.294   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1       4.360  -0.702   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    1    8   17                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   20                                            
CONECT   10    9    2   21                                            
CONECT   11    5   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16   13   28   32                                            
CONECT   17    7   18   19                                            
CONECT   18   17                                                      
CONECT   19   17   24                                                 
CONECT   20    9                                                      
CONECT   21   10   22   23                                            
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24   19   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   24                                                 
CONECT   28   16   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33   34                                       
CONECT   31   30   32                                                 
CONECT   32   31   16                                                 
CONECT   33   30                                                      
CONECT   34   30                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0S5NS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.247   0.659   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.161  -0.162   0.000  1.00  0.00           N  
HETATM    3  N   UNL     1       0.646  -0.333   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.058   0.381   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.506   0.995   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.774  -0.714   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.559  -0.459   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.172  -1.011   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.000  -1.818   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.216  -2.072   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.603  -1.520   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1       0.182  -1.775   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1       0.793   1.802   0.000  1.00  0.00           C  
HETATM   14 CL   UNL     1      -2.613  -2.370   0.000  1.00  0.00          Cl  
HETATM   15  C   UNL     1      -0.962   1.071   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.048   1.892   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.855   2.063   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.267   1.349   0.000  1.00  0.00           C  
HETATM   19  S   UNL     1      -1.715   0.736   0.000  1.00  0.00           S  
HETATM   20  C   UNL     1      -3.088   1.263   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.879   0.468   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       2.431  -0.145   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1       3.185   0.190   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       3.099   1.011   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.292   1.182   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       3.712   1.563   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.540   2.370   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.496   1.308   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.671   1.846   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.496   1.846   0.000  1.00  0.00           C  
CONECT    1    2    5   15                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   21                                            
CONECT    5    4    1   13                                            
CONECT    6    2    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10    6   12                                            
CONECT   12   11                                                      
CONECT   13    5                                                      
CONECT   14    9                                                      
CONECT   15    1   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   15                                                 
CONECT   20   18   29                                                 
CONECT   21    4   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   21                                                 
CONECT   26   24   27   28                                            
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   20   30                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0S5SK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.363   2.033   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.559   1.862   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.148   2.574   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.698   3.185   0.000  1.00  0.00           N  
HETATM    5  N   UNL     1      -2.449   2.850   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.161   3.262   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.337   1.155   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.224   1.111   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.378  -1.111   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.089  -1.522   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.802  -1.111   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.802  -0.289   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.089   0.122   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.378  -0.289   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.131   1.368   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.713   0.787   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.500  -0.007   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.706  -0.220   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.125   0.361   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.974   1.483   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.756   1.737   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1      -1.636   0.399   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1      -1.085  -0.212   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.334   0.122   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.420   0.940   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       2.514  -1.522   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       2.514  -2.344   0.000  1.00  0.00           O  
HETATM   28  N   UNL     1       3.225  -1.111   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       3.938  -1.522   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.649  -1.111   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       5.362  -1.522   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       5.447  -2.340   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       6.252  -2.510   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       6.663  -1.798   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       6.112  -1.188   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1       6.586  -3.262   0.000  1.00  0.00           F  
HETATM   37  C   UNL     1      -6.081  -0.589   0.000  1.00  0.00           C  
HETATM   38  F   UNL     1      -6.663  -0.007   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1      -6.663  -1.170   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1      -5.500  -1.170   0.000  1.00  0.00           F  
CONECT    1    2    5   20                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    1    6                                            
CONECT    6    5                                                      
CONECT    7   15   19   21                                            
CONECT    8    2   22   25                                            
CONECT    9   10   14                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   26                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9   24                                            
CONECT   15    7   16                                                 
CONECT   16   15   17                                                 
CONECT   17   37   16   18                                            
CONECT   18   17   19                                                 
CONECT   19   18    7                                                 
CONECT   20   21    1                                                 
CONECT   21   20    7                                                 
CONECT   22    8   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   14                                            
CONECT   25   24    8                                                 
CONECT   26   11   27   28                                            
CONECT   27   26                                                      
CONECT   28   26   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   35                                            
CONECT   32   31   33                                                 
CONECT   33   32   34   36                                            
CONECT   34   33   35                                                 
CONECT   35   34   31                                                 
CONECT   36   33                                                      
CONECT   37   38   39   40   17                                       
CONECT   38   37                                                      
CONECT   39   37                                                      
CONECT   40   37                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0S6BG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.021   1.673   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.234   0.876   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.543   0.426   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.901   0.946   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.197   1.716   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.499  -0.397   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.764  -0.772   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.050  -0.359   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.335  -0.772   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.335  -1.597   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.379  -0.359   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.094  -0.772   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.808  -0.359   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.808   0.466   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.094   0.878   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.379   0.466   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.094  -1.597   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.335   0.878   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.083  -0.981   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.708  -1.716   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.893  -1.587   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.522   0.878   0.000  1.00  0.00           C  
HETATM   23  F   UNL     1       2.934   0.166   0.000  1.00  0.00           F  
HETATM   24  F   UNL     1       3.234   1.289   0.000  1.00  0.00           F  
HETATM   25  F   UNL     1       2.111   1.590   0.000  1.00  0.00           F  
CONECT    1    2    5                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4    1                                                 
CONECT    6    3   19    7                                            
CONECT    7    8   21    6                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   12   16                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   22   13   15                                            
CONECT   15   14   16                                                 
CONECT   16   15   11   18                                            
CONECT   17   12                                                      
CONECT   18   16                                                      
CONECT   19    6   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20    7                                                 
CONECT   22   23   24   25   14                                       
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25   22                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0S6DD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215   2.007   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930   2.420   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.644   2.007   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.644   1.182   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.930   0.770   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215   1.182   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -5.359   2.420   0.000  1.00  0.00           F  
HETATM    8  C   UNL     1      -2.501   0.770   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.786   1.182   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.072   0.770   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.072  -0.055   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.357  -0.468   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.357  -0.055   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.357   0.770   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.357   1.182   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.357  -1.293   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.072  -0.468   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.072  -1.293   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.786  -1.705   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.501  -1.293   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.501  -0.468   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.786  -0.055   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.215  -0.055   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       3.215  -1.705   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       3.930  -1.293   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.644  -1.705   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       5.359  -1.293   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       4.232  -2.420   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.057  -2.420   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    3                                                      
CONECT    8    6    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   12                                                      
CONECT   17   13   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22   23                                            
CONECT   22   21   17                                                 
CONECT   23   21                                                      
CONECT   24   20   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26   29                                                 
CONECT   29   26   28                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0S6IA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.101  -1.716   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.887  -2.513   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.090  -2.726   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.507  -2.143   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.720  -1.346   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.517  -1.132   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.716  -3.461   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.901  -3.332   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.772  -2.517   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.897  -1.502   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.193  -0.732   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.017  -0.775   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -5.230  -1.572   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -4.539  -2.021   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.037  -2.143   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.655  -2.592   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       0.007  -1.319   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.390  -2.218   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.082  -2.667   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.817  -2.292   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.861  -1.469   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.169  -1.019   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.434  -1.394   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.212  -0.195   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1       2.039  -3.491   0.000  1.00  0.00           F  
HETATM   26  O   UNL     1       1.520   0.254   0.000  1.00  0.00           O  
HETATM   27  N   UNL     1       2.947   0.179   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       2.990   1.003   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.725   1.378   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       3.768   2.201   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       4.460   2.651   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.247   3.448   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.423   3.491   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.127   2.721   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.495  -2.845   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.330   2.507   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       5.230   2.355   0.000  1.00  0.00           C  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    4   15                                            
CONECT   10    1   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10   35                                            
CONECT   15    9   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   19   23                                            
CONECT   19   18   20   25                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   18                                                 
CONECT   24   22   26   27                                            
CONECT   25   19                                                      
CONECT   26   24                                                      
CONECT   27   24   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   34                                            
CONECT   31   30   32   37                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   30   36                                            
CONECT   35   14                                                      
CONECT   36   34                                                      
CONECT   37   31                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0S6SJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.062   0.715   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.062  -0.111   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.347  -0.523   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.633  -0.111   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.633   0.715   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.347   1.127   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.848  -0.365   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.363   0.302   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.848   0.969   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.538   0.302   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.126  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.301  -0.412   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.112   0.302   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.301   1.016   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.126   1.016   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.937   0.302   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.349  -0.412   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       1.349   1.016   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.174  -0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.587  -1.127   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.412  -1.127   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.824  -0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.412   0.302   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.587   0.302   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.649  -0.412   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       5.062  -1.127   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16   19                                                 
CONECT   18   16                                                      
CONECT   19   17   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22   26                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0S6TL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.618   1.801   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.618   0.976   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.903   0.564   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.189   0.976   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.189   1.801   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.903   2.213   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.404   0.721   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.081   1.389   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.404   2.056   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.968   1.389   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.380   0.674   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.205   0.674   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.618   1.389   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.205   2.103   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.380   2.103   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.618  -0.076   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.443  -0.082   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.850  -0.799   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.432  -1.511   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.607  -1.505   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.200  -0.787   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.646  -0.781   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.129  -1.499   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       1.933  -1.499   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.345  -2.213   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       1.038  -0.067   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   16                                            
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    7   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16   22                                            
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24                                                      
CONECT   26   22                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0S6XT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.156  -0.478   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.558  -0.066   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.273  -0.478   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.987  -0.066   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.987   0.759   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       1.273   1.172   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.558   0.759   0.000  1.00  0.00           C  
HETATM    8 CL   UNL     1      -0.156   1.172   0.000  1.00  0.00          Cl  
HETATM    9  N   UNL     1       2.702  -0.478   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       3.416  -0.066   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.871  -0.066   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.585  -0.478   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.339  -0.143   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.891  -0.756   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.478  -1.470   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.671  -1.299   0.000  1.00  0.00           C  
HETATM   17  S   UNL     1      -3.711  -0.670   0.000  1.00  0.00           S  
HETATM   18  C   UNL     1      -4.508  -0.883   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.722  -1.680   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.925   0.127   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.498  -1.466   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       4.170  -0.401   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       4.722   0.212   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1       4.309   0.926   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       3.502   0.755   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.645   1.680   0.000  1.00  0.00           C  
CONECT    1    2   11                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    2    8                                            
CONECT    8    7                                                      
CONECT    9    4   10                                                 
CONECT   10    9   22   25                                            
CONECT   11    1   12                                                 
CONECT   12   13   16   11                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   12                                                 
CONECT   17   14   18   20   21                                       
CONECT   18   17   19                                                 
CONECT   19   18                                                      
CONECT   20   17                                                      
CONECT   21   17                                                      
CONECT   22   10   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   10                                                 
CONECT   26   24                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0S7BW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.502  -0.742   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.677  -0.742   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.264  -0.028   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.677   0.686   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.502   0.686   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.914  -0.028   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.125  -1.355   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.371  -1.020   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.458  -0.200   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.039  -2.176   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.232  -2.348   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.181  -1.633   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.126   0.384   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.951   0.384   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       1.363  -0.331   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.534   0.967   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.331   0.754   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.914   1.337   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.701   2.134   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.904   2.348   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.321   1.764   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8   10                                            
CONECT    8    7    9   12                                            
CONECT    9    8    3   13                                            
CONECT   10    7   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    8                                                 
CONECT   13    9   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0S7NE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.692  -0.332   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.692  -1.157   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.977  -1.570   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.263  -1.157   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.263  -0.332   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.977   0.080   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -4.548   0.080   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.548   0.905   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.834  -0.332   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.834   1.318   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.834   2.143   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.548   2.555   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.263   2.143   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.263   1.318   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.834  -1.157   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.119  -1.570   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.405  -1.157   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.405  -0.332   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.119   0.080   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1      -0.453  -1.730   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.262  -1.318   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.976  -1.730   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.690  -1.318   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.405  -1.730   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.119  -1.318   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.834  -1.730   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.548  -1.318   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.263  -1.730   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       5.263  -2.555   0.000  1.00  0.00           O  
HETATM   30  N   UNL     1       5.977  -1.318   0.000  1.00  0.00           N  
HETATM   31  O   UNL     1       6.692  -1.730   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       0.262  -0.493   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -1.690  -1.570   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1      -0.976  -1.157   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10   14                                            
CONECT    9    7   15   19                                            
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    8                                                 
CONECT   15    9   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   33                                            
CONECT   18   17   19                                                 
CONECT   19   18    9                                                 
CONECT   20   21   34                                                 
CONECT   21   20   22   32                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28                                                      
CONECT   30   28   31                                                 
CONECT   31   30                                                      
CONECT   32   21                                                      
CONECT   33   17   34                                                 
CONECT   34   33   20                                                 
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0S8AZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.357  -1.444   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.357  -1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.357  -0.206   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.357   0.206   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1       1.072  -1.444   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -0.357  -2.269   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       1.072   0.206   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.215   0.206   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1      -1.786  -2.269   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.501   0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.501   1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.786   1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.072   1.031   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       1.786   2.269   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       3.215   1.444   0.000  1.00  0.00           O  
CONECT    1    2    6   14                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   15                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9   11                                            
CONECT    9    8   10   13                                            
CONECT   10    9    5                                                 
CONECT   11    8                                                      
CONECT   12    7                                                      
CONECT   13    9   16   20                                            
CONECT   14    1                                                      
CONECT   15    3                                                      
CONECT   16   13   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20   21                                            
CONECT   20   19   13                                                 
CONECT   21   19                                                      
CONECT   22   18                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0S8CH
  -OEChem-09301911132D

 53 55  0     1  0  0  0  0  0999 V2000
    2.3984    1.6301    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8950    2.4980    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4041    2.6714    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.4041    1.6714    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4041    1.6714    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.0022   -1.8286    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.6362   -2.1946    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.6362   -0.4625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381    0.1306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0022    0.1439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8779   -2.3527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2702    0.1373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7381   -0.8494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1458   -2.3594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4041   -1.3286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702    0.1714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    0.6339    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2740   -0.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1420   -1.3594    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3984    1.6339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2625    2.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0061   -0.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1304    1.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1343    0.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7381    0.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6442   -1.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6442    0.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8740   -1.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5381    0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5381   -0.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4041    0.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702   -0.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4041    1.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1362   -1.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6630   -0.7574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0642   -1.4462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6801   -1.6673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6592    2.6137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8621    2.6107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4028   -0.3796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6057   -0.3826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7414    1.5353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3402    2.2240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5290    0.7760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1272    0.0862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2505   -1.8422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0488   -1.8330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0488    1.1759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2505    1.1851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6840   -2.6673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6101   -2.6714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 20  1  0  0  0  0
  3 33  1  0  0  0  0
  4 33  1  0  0  0  0
  5 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7 34  1  0  0  0  0
  8 34  1  0  0  0  0
 17  9  1  1  0  0  0
  9 53  1  0  0  0  0
 10 24  2  0  0  0  0
 11 28  2  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 28  1  0  0  0  0
 19 14  1  6  0  0  0
 14 51  1  0  0  0  0
 14 52  1  0  0  0  0
 15 30  1  0  0  0  0
 15 32  2  0  0  0  0
 16 31  2  0  0  0  0
 16 32  1  0  0  0  0
 17 20  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 22  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 21 23  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 28  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 25 27  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 30  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 29  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
M  END

$$$$
D0S8EH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.921   0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.921   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.207  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.492   0.000   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.492   0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.207   1.238   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.222  -0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.937   0.000   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.937   0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.222   1.238   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.636  -0.412   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.372  -0.041   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.381   0.784   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.100   1.188   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.810   0.768   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.801  -0.057   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.082  -0.462   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.651   1.238   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.366   0.825   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.366   0.000   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.080  -0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.795   0.000   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.795   0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.080   1.238   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.622   0.510   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.797   0.510   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.248  -0.083   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.509  -0.412   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       5.224   0.000   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       5.938  -0.412   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       4.509  -1.238   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       1.651   2.062   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.526   1.181   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1      -5.113   1.896   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -4.811   0.769   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1      -5.938   0.467   0.000  1.00  0.00           F  
HETATM   37  C   UNL     1      -1.207  -1.238   0.000  1.00  0.00           C  
HETATM   38  F   UNL     1      -0.382  -1.238   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1      -1.207  -2.062   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1      -2.032  -1.238   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4   37                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   18                                            
CONECT   10    9    5                                                 
CONECT   11    2   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   33                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    9   19   32                                            
CONECT   19   18   20   24                                            
CONECT   20   19   21   27                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   28                                            
CONECT   23   22   24                                                 
CONECT   24   23   19   25                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   20                                                 
CONECT   28   22   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29                                                      
CONECT   31   28                                                      
CONECT   32   18                                                      
CONECT   33   15   34   35   36                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
CONECT   37    3   38   39   40                                       
CONECT   38   37                                                      
CONECT   39   37                                                      
CONECT   40   37                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0S8TB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.357  -0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.357  -1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.072  -1.856   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.786  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.786  -0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.072  -0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.501  -0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.215  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.930  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.930   0.619   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.215   1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.501   0.619   0.000  1.00  0.00           C  
HETATM   13  F   UNL     1       3.215  -1.444   0.000  1.00  0.00           F  
HETATM   14  C   UNL     1       4.644   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.644   1.856   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.357  -0.206   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.072  -0.619   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.786  -0.206   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.501  -0.619   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.215  -0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.929  -0.619   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.644  -0.206   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.358  -0.619   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.073  -0.206   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.072  -1.444   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       5.359   0.619   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       6.073   1.031   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1       5.359  -0.206   0.000  1.00  0.00           O  
CONECT    1    2    6   16                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    8                                                      
CONECT   14   26   10   15                                            
CONECT   15   14                                                      
CONECT   16    1   17                                                 
CONECT   17   16   18   25                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23                                                      
CONECT   25   17                                                      
CONECT   26   27   28   14                                            
CONECT   27   26                                                      
CONECT   28   26                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0S9HE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.556   0.262   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.556  -0.563   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.271  -0.976   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.985  -0.563   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.985   0.262   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       1.271   0.674   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.158   0.674   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.873   0.262   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.873  -0.563   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.158  -0.976   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.271   1.499   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.692   1.417   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.906   2.213   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.731   2.213   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.944   1.417   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.906   0.620   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.731   0.620   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       4.445   2.626   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.445   1.032   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.220   1.705   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.395   1.705   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1      -1.587  -0.976   0.000  1.00  0.00           S  
HETATM   23  C   UNL     1       1.985   1.912   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.000  -0.262   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1      -1.175  -1.690   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.302  -1.388   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.016  -0.976   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.731  -1.388   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.731  -2.213   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.016  -2.626   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.302  -2.213   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1      -3.016  -0.151   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1      -3.731   0.262   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.445  -0.151   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.445  -0.976   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   11                                            
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   22                                            
CONECT   10    9    2                                                 
CONECT   11    6   23                                                 
CONECT   12   13   16   21   23                                       
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   17                                                 
CONECT   16   12   17                                                 
CONECT   17   16   15   19                                            
CONECT   18   14   20                                                 
CONECT   19   17   20                                                 
CONECT   20   19   18   21                                            
CONECT   21   20   12                                                 
CONECT   22    9   24   25   26                                       
CONECT   23   11   12                                                 
CONECT   24   22                                                      
CONECT   25   22                                                      
CONECT   26   22   27   31                                            
CONECT   27   26   28   32                                            
CONECT   28   27   29   35                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   27   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   28                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0S9MR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.933   0.854   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.933   0.029   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.647  -0.384   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       3.362   0.029   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       3.362   0.854   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.647   1.266   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       4.076  -0.384   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       4.791   0.029   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       4.791   0.854   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       4.076   1.266   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1       5.505   1.266   0.000  1.00  0.00           O  
HETATM   12  F   UNL     1       1.218  -0.384   0.000  1.00  0.00           F  
HETATM   13  C   UNL     1       1.218   1.266   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       1.218   2.091   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1       0.504   0.854   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.293   1.067   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.506   0.271   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.290   0.057   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.221  -0.142   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.935   0.271   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.650  -0.142   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.364   0.271   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.079  -0.142   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.079  -0.967   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.364  -1.379   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.650  -0.967   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -1.935  -1.379   0.000  1.00  0.00           F  
HETATM   28  C   UNL     1      -4.793  -1.379   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1      -5.204  -0.667   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -5.505  -1.791   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -4.382  -2.091   0.000  1.00  0.00           F  
CONECT    1    2    6   13                                            
CONECT    2    1    3   12                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9                                                      
CONECT   12    2                                                      
CONECT   13    1   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   15                                                 
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   28   23   25                                            
CONECT   25   24   26                                                 
CONECT   26   25   21   27                                            
CONECT   27   26                                                      
CONECT   28   29   30   31   24                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0S9NB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.980  -1.705   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.980  -2.530   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.266  -2.942   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.449  -2.530   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.449  -1.705   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.266  -1.292   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.163  -2.942   0.000  1.00  0.00           C  
HETATM    8  F   UNL     1       1.877  -3.355   0.000  1.00  0.00           F  
HETATM    9  F   UNL     1       0.751  -3.657   0.000  1.00  0.00           F  
HETATM   10  N   UNL     1      -0.266  -0.467   0.000  1.00  0.00           N  
HETATM   11  F   UNL     1       1.576  -2.228   0.000  1.00  0.00           F  
HETATM   12  C   UNL     1       0.449  -0.055   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.449   0.770   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.266   1.183   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.980   0.770   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.980  -0.055   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.163  -0.467   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.695  -0.467   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.695   1.183   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.695   2.008   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1      -2.409   0.770   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       1.163   1.183   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.960   0.969   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.409   1.661   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       1.890   2.302   0.000  1.00  0.00           N  
HETATM   26  N   UNL     1       1.120   2.007   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       0.405   2.419   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       0.405   3.244   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.309   3.657   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.024   3.244   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.024   2.419   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.309   2.007   0.000  1.00  0.00           C  
HETATM   33 CL   UNL     1      -1.738   3.657   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   10                                            
CONECT    7    4    8    9   11                                       
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    6   12   16                                            
CONECT   11    7                                                      
CONECT   12   10   13   17                                            
CONECT   13   12   14   22                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   10   18                                            
CONECT   17   12                                                      
CONECT   18   16                                                      
CONECT   19   15   20   21                                            
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   13   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   22   27                                            
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0SA1N
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.787  -0.911   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.787  -1.736   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.501  -2.149   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.216  -1.736   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.216  -0.911   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.501  -0.499   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       3.000  -1.991   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       3.485  -1.324   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.000  -0.656   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       0.072  -0.499   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.642  -0.911   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.642  -1.736   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.357  -0.499   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.071  -0.911   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.786  -0.499   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.255   0.128   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.052   0.342   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       4.266   1.139   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       5.062   1.352   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       5.276   2.149   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       5.646   0.769   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.786   0.326   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.500   0.739   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.215   0.326   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.215  -0.499   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.500  -0.911   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.931   0.740   0.000  1.00  0.00           N1+
HETATM   28  O   UNL     1      -4.931   1.565   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1      -5.646   0.328   0.000  1.00  0.00           O1-
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   16                                            
CONECT   10    1   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   22   26                                            
CONECT   16    9   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   15   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   15                                                 
CONECT   27   24   28   29                                            
CONECT   28   27                                                      
CONECT   29   27                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0SA6L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429   2.888   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.429   2.062   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.715   1.650   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.000   2.062   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.000   2.888   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.715   3.300   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.715   3.300   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.429   2.888   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.429   2.062   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       2.143   1.650   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.858   2.062   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.858   2.888   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       2.143   3.300   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -2.143   1.650   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.858   2.062   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.572   1.650   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.572   0.825   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.858   0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.143   0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.143   0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.429  -0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.143  -0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.858  -0.412   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.858   0.412   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.143  -1.650   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       2.858  -2.062   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.858  -2.888   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.572  -3.300   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       4.287  -2.888   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       4.287  -2.062   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.572  -1.650   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       0.715  -0.825   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1       0.715  -1.650   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.287   0.412   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.287  -0.412   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1      -3.572  -0.825   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1       3.571  -0.825   0.000  1.00  0.00           C  
HETATM   39  N   UNL     1       2.746  -0.825   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   14                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   20                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    2   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   35                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   10   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   33                                            
CONECT   23   22   24   26                                            
CONECT   24   23   25   38                                            
CONECT   25   24   20                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   22   34                                                 
CONECT   34   33                                                      
CONECT   35   17   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36                                                      
CONECT   38   24   39                                                 
CONECT   39   38                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0SB1W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -5.297   0.206   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.297  -0.619   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.582  -1.031   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.868  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.868   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.582   0.619   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.153  -1.031   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.439  -0.619   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.439   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.153   0.619   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.724   0.619   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.010   0.206   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1      -1.724   1.444   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.295   0.619   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.419   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.134   0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.134   1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.419   1.856   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.295   1.444   0.000  1.00  0.00           C  
HETATM   20 CL   UNL     1      -1.010   1.856   0.000  1.00  0.00          Cl  
HETATM   21  C   UNL     1       1.848   0.206   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.562   0.619   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.277   0.206   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.991   0.619   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.277  -0.619   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.991  -1.031   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       1.848  -0.619   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1      -1.724  -1.031   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       4.745   0.283   0.000  1.00  0.00           C  
HETATM   30  S   UNL     1       5.297   0.896   0.000  1.00  0.00           S  
HETATM   31  C   UNL     1       4.885   1.611   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.078   1.439   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       3.991  -1.856   0.000  1.00  0.00           N  
HETATM   34  O   UNL     1      -5.297  -0.619   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1      -4.583  -1.031   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   34                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   28                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12   13                                            
CONECT   12   11   14                                                 
CONECT   13   11                                                      
CONECT   14   12   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14   20                                            
CONECT   20   19                                                      
CONECT   21   16   22   27                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   29   32                                            
CONECT   25   23   26                                                 
CONECT   26   25   33                                                 
CONECT   27   21                                                      
CONECT   28    8                                                      
CONECT   29   24   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   24                                                 
CONECT   33   26                                                      
CONECT   34    2   35                                                 
CONECT   35   34                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0SB3H
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.252   0.578   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.252  -0.247   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.537  -0.659   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.177  -0.247   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.177   0.578   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.537   0.991   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.537  -1.484   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.252  -1.897   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.966  -1.484   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.892  -0.659   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.606  -0.247   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.321  -0.659   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.035  -0.247   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.035   0.578   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.321   0.991   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.606   0.578   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       3.680  -0.761   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       4.484  -0.578   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.842   0.166   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.484   0.909   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.680   1.093   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1       4.999   1.554   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       3.497  -1.565   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.497   1.897   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.966   0.991   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.966   1.816   0.000  1.00  0.00           O  
HETATM   27  N   UNL     1      -2.681   0.578   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       4.949  -1.259   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.772  -1.198   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       6.130  -0.454   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.665   0.227   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.395   0.991   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.110   0.578   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.110  -0.247   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.395  -0.659   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.681  -0.247   0.000  1.00  0.00           C  
HETATM   37  N   UNL     1      -4.824  -0.659   0.000  1.00  0.00           N  
HETATM   38  C   UNL     1      -5.578  -0.324   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.130  -0.937   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.717  -1.651   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.910  -1.480   0.000  1.00  0.00           C  
CONECT    1    2    6   25                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8                                                      
CONECT   10    4   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15   21                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   13   18   23                                            
CONECT   18   17   19   28                                            
CONECT   19   18   20   31                                            
CONECT   20   19   21   22                                            
CONECT   21   20   14   24                                            
CONECT   22   20                                                      
CONECT   23   17                                                      
CONECT   24   21                                                      
CONECT   25    1   26   27                                            
CONECT   26   25                                                      
CONECT   27   25   32   36                                            
CONECT   28   18   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   19                                                 
CONECT   32   27   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   37                                            
CONECT   35   34   36                                                 
CONECT   36   35   27                                                 
CONECT   37   34   38   41                                            
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   41                                                 
CONECT   41   40   37                                                 
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D0SB4A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.082  -2.898   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.082  -3.723   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.367  -4.135   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.653  -3.723   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.653  -2.898   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.367  -2.485   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.695  -4.275   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -2.359  -5.029   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.539  -4.942   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.367  -1.660   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.082  -1.248   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.082  -0.423   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.796  -1.660   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1      -1.414   0.062   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.669   0.847   0.000  1.00  0.00           C  
HETATM   16  S   UNL     1      -2.494   0.847   0.000  1.00  0.00           S  
HETATM   17  C   UNL     1      -2.749   0.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.184   1.514   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.359   1.514   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1      -0.104   2.299   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.772   2.784   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.439   2.299   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.062  -2.485   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.776  -2.898   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.491  -2.485   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.491  -1.660   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.776  -1.248   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.062  -1.660   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.776  -0.423   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       1.491  -0.010   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       2.244  -0.346   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.796   0.267   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.384   0.982   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       1.577   0.810   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.773   3.611   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1      -2.191   3.611   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -0.773   5.029   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1       0.645   3.611   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   23                                            
CONECT    6    5    1   10                                            
CONECT    7    2    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    3                                                 
CONECT   10    6   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11   14   17                                            
CONECT   13   11                                                      
CONECT   14   12   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   35                                            
CONECT   22   21   18                                                 
CONECT   23    5   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   23                                                 
CONECT   29   27   30                                                 
CONECT   30   29   31   34                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   30                                                 
CONECT   35   36   37   38   21                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END

$$$$

$$$$

$$$$
D0SC3B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786   2.062   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786   1.238   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072   0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357   1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357   2.062   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072   2.475   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.357   0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.072   1.238   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.072   2.062   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.357   2.475   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.357   0.412   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.357  -0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.357  -0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.072  -0.412   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       1.072   0.412   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.072  -0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.072  -1.650   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.357  -2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.357  -1.650   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.072  -2.062   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.786  -1.650   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.786  -0.825   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       0.357   3.300   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       1.072  -2.888   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       1.786  -3.300   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11   15                                       
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   23                                            
CONECT   11    7   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14   19                                            
CONECT   14   13   15   22                                            
CONECT   15   14    7                                                 
CONECT   16   12   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   13   20                                            
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   14                                                 
CONECT   23   10                                                      
CONECT   24   20   25                                                 
CONECT   25   24                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0SD4G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.056  -0.255   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.771   0.158   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.485  -0.255   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       2.200   0.158   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.658   0.158   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.658   0.983   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.373   1.395   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.087   0.983   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.087   0.158   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.373  -0.255   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.801  -0.255   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.801  -1.080   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.087  -1.492   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.373  -1.080   0.000  1.00  0.00           C  
HETATM   15  H   UNL     1      -3.516  -1.492   0.000  1.00  0.00           H  
HETATM   16  O   UNL     1       0.771   0.983   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       2.914  -0.255   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.629   0.158   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.629   0.983   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.914   1.395   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.200   0.983   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.914  -1.080   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.629  -1.492   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       4.343  -1.080   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       4.343  -0.255   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.629  -2.317   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.579   2.317   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1      -0.864   1.905   0.000  1.00  0.00           F  
HETATM   29  C   UNL     1      -0.754   2.167   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1      -0.039   1.754   0.000  1.00  0.00           F  
HETATM   31  O   UNL     1      -3.518   1.398   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.518   0.573   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1      -2.693   0.573   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -3.518  -0.252   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -4.343   0.573   0.000  1.00  0.00           F  
CONECT    1    2    5                                                 
CONECT    2    1    3   16                                            
CONECT    3    2    4                                                 
CONECT    4    3   17   21                                            
CONECT    5    1    6   10                                            
CONECT    6    5    7                                                 
CONECT    7    6    8   27   29                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12   31                                            
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   12                                                      
CONECT   16    2                                                      
CONECT   17    4   18   22                                            
CONECT   18   17   19   25                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20    4                                                 
CONECT   22   17   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   18                                                 
CONECT   26   23                                                      
CONECT   27    7   28                                                 
CONECT   28   27                                                      
CONECT   29    7   30                                                 
CONECT   30   29                                                      
CONECT   31   11   32                                                 
CONECT   32   31   33   34   35                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0SD9L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429   0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.000   0.412   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.715   0.000   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.143   0.000   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.858   0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.572   0.000   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.858   0.412   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.572   0.000   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.858  -1.238   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.572  -0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.858   1.238   0.000  1.00  0.00           C  
CONECT    1    2    6   13                                            
CONECT    2    1    3   15                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   17                                            
CONECT   12   11                                                      
CONECT   13    1   14                                                 
CONECT   14   13                                                      
CONECT   15    2   16                                                 
CONECT   16   15                                                      
CONECT   17   11                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D0SE9K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -0.861   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -1.686   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.786  -2.099   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.072  -1.686   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072  -0.861   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786  -0.449   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.357  -0.449   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.357   0.376   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.072   0.789   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.786   0.376   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.072   1.614   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.357  -0.861   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.357  -1.686   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.072  -2.099   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.786  -1.686   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.786  -0.861   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.072  -0.449   0.000  1.00  0.00           C  
HETATM   18  F   UNL     1       2.501  -2.099   0.000  1.00  0.00           F  
HETATM   19  C   UNL     1      -0.404   2.099   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.739   2.099   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   10                                            
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    6                                                 
CONECT   11    9   19   20                                            
CONECT   12    7   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15                                                      
CONECT   19   11                                                      
CONECT   20   11                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0SF6C
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.930  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.215  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.644   0.206   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1      -4.644  -1.444   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.072  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.357   0.206   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.357  -0.206   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.072   0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.357   1.031   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       2.501   0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.215  -0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.930   0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.930   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.215   1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.501   1.031   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       4.644   1.444   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       4.644  -0.206   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    9                                            
CONECT    7    2                                                      
CONECT    8    3                                                      
CONECT    9    6   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   16                                                 
CONECT   15   11                                                      
CONECT   16   14   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   19                                                      
CONECT   23   18                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0SF8N
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.300  -0.296   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.888  -1.010   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.062  -1.010   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.650  -0.296   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.062   0.419   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.888   0.419   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.825  -0.296   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.412  -1.010   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.412  -1.010   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.825  -1.725   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.650  -1.725   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.062  -1.010   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.650  -0.296   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.825  -0.296   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.888  -1.010   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.300  -0.296   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       3.300  -1.725   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       2.888   0.419   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.412   0.419   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.408   0.505   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.580   1.312   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.135   1.725   0.000  1.00  0.00           N  
HETATM   23  S   UNL     1      -0.748   1.173   0.000  1.00  0.00           S  
HETATM   24  C   UNL     1       1.333   1.648   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   19                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   12   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16                                                      
CONECT   19    7   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   19                                                 
CONECT   24   21                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0SG8X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.203   0.716   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.206   1.433   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.210   2.145   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.035   2.141   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.444   1.425   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.028   0.713   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.031   1.433   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.444   0.718   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.269   0.718   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.681   1.433   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.269   2.147   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.444   2.147   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       1.031   0.004   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.206   0.004   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.269   1.425   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.681   0.711   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.269  -0.004   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.681  -0.718   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.269  -1.433   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.681  -2.147   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   15                                            
CONECT    6    5    1                                                 
CONECT    7    2    8   12                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    8   14                                                 
CONECT   14   13                                                      
CONECT   15    5   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0SG9F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.009  -0.101   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.009  -0.925   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.705  -1.338   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.419  -0.925   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.419  -0.101   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.705   0.312   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.794   0.154   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.279  -0.513   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.794  -1.180   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.049   0.939   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.846   1.153   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.059   1.950   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.856   2.163   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.440   1.580   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.226   0.783   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.429   0.569   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.134   0.312   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.888  -0.024   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       3.440   0.590   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       3.027   1.304   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.220   1.133   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       0.705  -2.163   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.059  -0.831   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.607   1.685   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   22                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   17                                            
CONECT    6    5    1                                                 
CONECT    7    1    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    7   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    5   18   21                                            
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   17   24                                            
CONECT   22    3                                                      
CONECT   23   18                                                      
CONECT   24   21                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0SG9Q
  -OEChem-09301911162D

 46 48  0     1  0  0  0  0  0999 V2000
    2.1648   -0.5784    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8968   -3.5784    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.2532    0.4424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7180   -1.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7058    1.0094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3968    1.9604    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968    0.4216    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0878    1.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3968    1.9604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968   -0.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2212    3.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    3.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6569    0.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0308   -1.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7628   -1.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8648   -0.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000    1.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0308   -2.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7628   -2.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8158   -0.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3511    1.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968   -2.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5590    0.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5100   -0.2267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4492    0.1401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5214    1.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7778    0.4724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7228    3.9429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8568    4.0800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7196    3.2140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9825    2.8556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1196    3.7216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2536    3.8588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6356    2.6832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984    1.8172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2998   -0.7684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040   -0.6927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2711    1.9759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4938   -2.3884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2998   -2.3884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9448   -1.1933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8118    1.4753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8428    0.2508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 24  1  0  0  0  0
  3 26  1  0  0  0  0
  3 46  1  0  0  0  0
  4 26  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 15  1  0  0  0  0
  6 10  2  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 39  1  0  0  0  0
 18 22  1  0  0  0  0
 18 40  1  0  0  0  0
 19 23  2  0  0  0  0
 19 41  1  0  0  0  0
 20 24  2  0  0  0  0
 20 42  1  0  0  0  0
 21 24  1  0  0  0  0
 21 43  1  0  0  0  0
 22 25  2  0  0  0  0
 22 44  1  0  0  0  0
 23 25  1  0  0  0  0
 23 45  1  0  0  0  0
 25 26  1  0  0  0  0
M  END

$$$$
D0SG9W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.929   0.468   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.929  -0.357   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.214  -0.770   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.500  -0.357   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.500   0.468   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.214   0.880   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.643   0.880   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1      -4.643  -0.770   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.643  -1.595   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.785  -0.770   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.071  -0.357   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.356  -0.770   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.358  -0.357   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.356  -1.595   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.073  -0.770   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.787  -0.357   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.502  -0.770   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.216  -0.357   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.216   0.468   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.502   0.880   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.787   0.468   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.929   0.880   0.000  1.00  0.00           C  
HETATM   23  F   UNL     1       3.516   1.595   0.000  1.00  0.00           F  
HETATM   24  F   UNL     1       4.643   1.293   0.000  1.00  0.00           F  
HETATM   25  F   UNL     1       4.341   0.166   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    2    9                                                 
CONECT    9    8                                                      
CONECT   10    4   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   15                                                 
CONECT   14   12                                                      
CONECT   15   13   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   19   23   24   25                                       
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25   22                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0SH0L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.415   0.715   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.002   0.001   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.178   0.001   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.765   0.715   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.178   1.430   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.002   1.430   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.625  -0.612   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.872  -0.277   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.958   0.544   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.345   1.096   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.797  -1.419   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.184  -1.971   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.582  -1.674   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.157  -0.689   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.557  -0.277   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.272  -0.689   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.440   0.841   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.053   1.393   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.881   2.200   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.097   2.455   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.516   1.903   0.000  1.00  0.00           C  
HETATM   22  F   UNL     1       1.494   2.752   0.000  1.00  0.00           F  
HETATM   23  O   UNL     1       1.272  -1.514   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       1.986  -1.927   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.700  -1.514   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.700  -0.689   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.986  -0.277   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1       1.574   0.438   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1       2.399   0.438   0.000  1.00  0.00           F  
HETATM   30  O   UNL     1       1.986  -2.752   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       3.415  -0.277   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8   11                                            
CONECT    8    7    9   14                                            
CONECT    9    8    4   10                                            
CONECT   10    9   17   21                                            
CONECT   11    7   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14    8   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   23   27                                            
CONECT   17   10   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   10                                                 
CONECT   22   19                                                      
CONECT   23   16   24                                                 
CONECT   24   23   25   30                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   31                                            
CONECT   27   26   16   28   29                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   24                                                      
CONECT   31   26                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0SH2Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287  -2.888   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572  -3.300   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.858  -2.888   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858  -2.062   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.572  -1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.287  -2.062   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.143  -3.300   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.429  -2.888   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.429  -2.062   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.143  -1.650   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.143  -0.825   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.714  -0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.000  -0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.000   0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.714   0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.429   0.412   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -5.001  -1.650   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1      -5.001  -3.300   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -5.716  -2.062   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.716  -2.888   0.000  1.00  0.00           C  
HETATM   22 CL   UNL     1      -0.714   1.650   0.000  1.00  0.00          Cl  
HETATM   23  N   UNL     1       0.714   0.825   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       2.143   0.825   0.000  1.00  0.00           N  
HETATM   26  O   UNL     1       1.429  -0.412   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       2.858   0.412   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.858  -0.412   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.572  -0.825   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.287  -0.412   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.287   0.412   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.572   0.825   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.572   1.650   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       4.287   2.062   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       5.001   1.650   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       5.716   2.062   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1       5.716   2.888   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1       5.001   3.300   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       4.287   2.888   0.000  1.00  0.00           C  
CONECT    1    2    6   19                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   18                                            
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    4   11                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   23                                            
CONECT   16   15   17   22                                            
CONECT   17   16   12                                                 
CONECT   18    6   20                                                 
CONECT   19    1   21                                                 
CONECT   20   18                                                      
CONECT   21   19                                                      
CONECT   22   16                                                      
CONECT   23   15   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   27                                                 
CONECT   26   24                                                      
CONECT   27   25   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27   33                                            
CONECT   33   32   34                                                 
CONECT   34   33   35   39                                            
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   34                                                 
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0SH7F
  -OEChem-09301911112D

 49 53  0     0  0  0  0  0  0999 V2000
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    2.8660    2.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    4.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 26  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
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 28 47  1  0  0  0  0
 29 30  2  0  0  0  0
 29 48  1  0  0  0  0
 30 49  1  0  0  0  0
M  END

$$$$
D0SH7G
  -OEChem-09301911242D

 59 62  0     1  0  0  0  0  0999 V2000
    2.8950    2.5766    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 33 35  1  0  0  0  0
 33 56  1  0  0  0  0
 34 36  2  0  0  0  0
 34 57  1  0  0  0  0
 35 58  1  0  0  0  0
 36 59  1  0  0  0  0
M  END

$$$$
D0SJ1Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.787  -1.158   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.073  -0.746   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.358  -1.158   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.644  -0.746   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.644   0.079   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.358   0.492   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.073   0.079   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.071  -1.158   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.785  -0.746   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.539  -1.081   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.091  -0.468   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1       1.678   0.246   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.871   0.075   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.911  -0.554   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.396   0.113   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       4.217   0.027   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       4.702   0.694   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       3.061   0.867   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.502  -0.746   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.366   1.448   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       5.522   0.608   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.216  -1.158   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.970  -0.823   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -5.522  -1.436   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.109  -2.150   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.303  -1.979   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.141  -0.016   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.528   0.536   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.700   1.343   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -4.871   2.150   0.000  1.00  0.00           N  
CONECT    1    2   19                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    2                                                 
CONECT    8    4    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    9                                                 
CONECT   14   11   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   20   21                                            
CONECT   18   15                                                      
CONECT   19    1   22                                                 
CONECT   20   17                                                      
CONECT   21   17                                                      
CONECT   22   23   26   19                                            
CONECT   23   22   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   22                                                 
CONECT   27   23   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0SJ1U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.367  -0.523   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.367   0.302   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.653   0.714   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.062   0.302   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.062  -0.523   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.653  -0.936   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       2.082  -0.936   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.491   0.302   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.577  -0.519   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.384  -0.690   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.796   0.024   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.244   0.637   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.416   1.444   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1      -2.719  -1.444   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.776  -0.936   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       2.082   0.714   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       2.796   0.302   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   16                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   15                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    9   12                                                 
CONECT    9    8   10   15                                            
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11    8   13                                            
CONECT   13   12                                                      
CONECT   14   10                                                      
CONECT   15    5    9                                                 
CONECT   16    2   17                                                 
CONECT   17   16                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D0SJ4S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.930  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.215  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.644   0.206   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1      -4.644  -1.444   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.786   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.072  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.357   0.206   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.357  -0.206   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.072   0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.786  -0.206   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.357   1.031   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       2.501   0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.215  -0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.930   0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.930   1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.215   1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.501   1.031   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       4.644   1.444   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    9                                            
CONECT    7    2                                                      
CONECT    8    3                                                      
CONECT    9    6   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   16                                                 
CONECT   15   11                                                      
CONECT   16   14   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   19                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0SK0L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.821  -0.329   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.821  -1.154   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.106  -1.567   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.608  -1.154   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.608  -0.329   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.106   0.084   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.466   0.185   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.270   0.002   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.628  -0.742   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.270  -1.485   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.466  -1.668   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.323  -1.567   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.323   0.084   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       2.076  -0.252   0.000  1.00  0.00           N  
HETATM   15  N   UNL     1       2.628   0.361   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1       2.216   1.075   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       1.409   0.904   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.106   0.908   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.608   1.321   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.608   2.146   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.106   2.558   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.821   2.146   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.821   1.321   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.323   2.558   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.409  -2.387   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.216  -2.558   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.628  -1.844   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.076  -1.231   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.608  -1.979   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   12                                            
CONECT    5    4    6   13                                            
CONECT    6    5    1   18                                            
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    2                                                 
CONECT   12    4   25   28   29                                       
CONECT   13    5   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   13                                                 
CONECT   18    6   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   20                                                      
CONECT   25   12   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   12                                                 
CONECT   29   12                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0SK3R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.079   1.031   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.079   0.206   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.364  -0.206   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.650   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.650   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.364   1.444   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.135  -0.049   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.620   0.619   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.135   1.286   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -1.364   2.269   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1      -2.793  -0.206   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.793   1.444   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.364  -1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.508   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.222   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.079  -1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.079  -2.269   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.034   0.100   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.411   1.949   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.395   0.671   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.335   0.999   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.791   0.240   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.880   1.352   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.007   0.543   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.573  -0.024   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.445   0.619   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.938   1.054   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.222  -0.506   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.455   2.131   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4   13                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   26                                            
CONECT    9    8    5                                                 
CONECT   10    6                                                      
CONECT   11    2                                                      
CONECT   12    1   14                                                 
CONECT   13    3   16                                                 
CONECT   14   12   15                                                 
CONECT   15   14                                                      
CONECT   16   13   17                                                 
CONECT   17   16                                                      
CONECT   18   22   26                                                 
CONECT   19   21   29                                                 
CONECT   20   21   27                                                 
CONECT   21   19   20   24                                            
CONECT   22   18   23   25                                            
CONECT   23   22   29                                                 
CONECT   24   21   28                                                 
CONECT   25   22   28                                                 
CONECT   26    8   18   27                                            
CONECT   27   20   26   29                                            
CONECT   28   25   24                                                 
CONECT   29   19   23   27                                            
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0SK3V
  -OEChem-09301911222D

 74 78  0     1  0  0  0  0  0999 V2000
    8.5836    0.0302    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    5.1651    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.7260   -5.6651    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3600   -6.0311    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.3600   -4.2990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619    0.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -0.0311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6340    4.6651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660    5.6651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3959   -2.1651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    1.7010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1279   -5.1651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9939   -3.6651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    2.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3959   -0.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5298   -0.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -0.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5298   -1.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -1.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5298    0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619    1.3349    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5298    1.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3959    1.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3959   -3.1651    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5836    1.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1279    1.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    0.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5298   -3.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -3.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    0.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -4.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1279   -3.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9939   -4.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    1.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600   -5.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    3.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    4.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    4.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    6.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    6.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3178   -0.0825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9192   -0.7727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8725   -0.7727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4739   -0.0825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9192   -1.5574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3178   -2.2477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4739   -2.2477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8725   -1.5574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7988    1.0249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7944    2.3099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9973    2.3099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8589   -2.8551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3910    2.2290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4379    1.2980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6648    2.1449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8179    2.3719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2198   -3.1281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9929   -3.9751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8398   -4.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7249   -4.9751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1279   -2.5451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8100    2.2379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9174    1.4889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6077    1.0904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1200    3.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100    4.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8800    3.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5826    6.2431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8923    6.6417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    6.6511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    6.0311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    5.4111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 27  1  0  0  0  0
  2  8  2  0  0  0  0
  2  9  2  0  0  0  0
  2 38  1  0  0  0  0
  2 41  1  0  0  0  0
  3 35  1  0  0  0  0
  4 35  1  0  0  0  0
  5 35  1  0  0  0  0
  6 15  1  0  0  0  0
  6 21  1  0  0  0  0
  7 30  2  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 24  1  0  0  0  0
 11 30  1  0  0  0  0
 11 34  1  0  0  0  0
 11 64  1  0  0  0  0
 12 31  2  0  0  0  0
 12 33  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  2  0  0  0  0
 14 36  2  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 20  1  0  0  0  0
 16 18  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 19  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 26  1  6  0  0  0
 21 51  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 24 28  1  1  0  0  0
 24 29  1  0  0  0  0
 24 54  1  0  0  0  0
 25 27  2  0  0  0  0
 25 55  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
 26 58  1  0  0  0  0
 27 30  1  0  0  0  0
 28 59  1  0  0  0  0
 28 60  1  0  0  0  0
 28 61  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  2  0  0  0  0
 31 62  1  0  0  0  0
 32 63  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 65  1  0  0  0  0
 34 66  1  0  0  0  0
 36 37  1  0  0  0  0
 37 39  2  0  0  0  0
 37 67  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 39 68  1  0  0  0  0
 40 69  1  0  0  0  0
 41 42  1  0  0  0  0
 41 70  1  0  0  0  0
 41 71  1  0  0  0  0
 42 72  1  0  0  0  0
 42 73  1  0  0  0  0
 42 74  1  0  0  0  0
M  END

$$$$
D0SK9K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.300  -0.296   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.888  -1.010   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.062  -1.010   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.650  -0.296   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.062   0.419   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.888   0.419   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.825  -0.296   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.412   0.419   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.412  -1.010   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.412  -1.010   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.825  -1.725   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.650  -1.725   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.062  -1.010   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.650  -0.296   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.825  -0.296   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.888  -1.010   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.300  -1.725   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       3.300  -0.296   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       2.888   0.419   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       0.408   0.505   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.580   1.312   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.135   1.725   0.000  1.00  0.00           N  
HETATM   23  S   UNL     1      -0.748   1.173   0.000  1.00  0.00           S  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   20   23                                            
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18                                                      
CONECT   20    8   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22    8                                                 
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0SM2O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.576  -0.841   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.576  -1.666   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.862  -2.078   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.147  -1.666   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.147  -0.841   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.862  -0.428   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.363  -1.921   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.878  -1.253   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.363  -0.586   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.009  -1.253   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.480  -0.614   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1       0.531  -1.837   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       1.387  -0.614   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.765   0.051   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.348   0.763   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.523   0.759   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.115   0.042   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.926   1.352   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.751   1.360   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       3.576   1.368   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       3.340   0.782   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.157   2.078   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11   12                                            
CONECT   11   10   13   17                                            
CONECT   12   10                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   11                                                 
CONECT   18   15   19                                                 
CONECT   19   18   20   21   22                                       
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   19                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0SM8Z
  -OEChem-09301911242D

 44 46  0     0  0  0  0  0  0999 V2000
    2.0000   -2.4221    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1224    2.1121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8544    2.1121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0506    1.1121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1846   -0.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7205    0.6121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9884   -0.3879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2564    0.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2564   -0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4564   -0.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4525    0.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5865    1.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3624   -0.9226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1224    1.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9884    0.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3624    1.1467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4564    0.6329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5923   -0.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3186    1.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1224   -0.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8544    1.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961   -1.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7243   -0.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1846    0.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8602   -0.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -1.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0540    0.1371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8511    0.1371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9850    1.5870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1880    1.5870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3696   -1.5425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3696    1.7667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9206    0.9450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7171    1.5870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9200    1.5870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7205   -0.0079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1224   -1.5079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1343   -2.2200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7219    0.2046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7344   -3.0354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3221   -0.6108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5855    2.4221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5875    0.8021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 14  1  0  0  0  0
  2 43  1  0  0  0  0
  3 21  2  0  0  0  0
  4 24  1  0  0  0  0
  4 44  1  0  0  0  0
  5 24  2  0  0  0  0
  6 12  1  0  0  0  0
  6 21  1  0  0  0  0
  6 37  1  0  0  0  0
  7 15  2  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  2  0  0  0  0
  8 16  1  0  0  0  0
  9 13  1  0  0  0  0
  9 20  2  0  0  0  0
 10 13  2  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  2  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 38  1  0  0  0  0
 22 25  1  0  0  0  0
 22 39  1  0  0  0  0
 23 26  2  0  0  0  0
 23 40  1  0  0  0  0
 25 27  2  0  0  0  0
 25 41  1  0  0  0  0
 26 27  1  0  0  0  0
 26 42  1  0  0  0  0
M  END

$$$$
D0SM9Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215  -2.233   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215  -3.058   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.501  -3.471   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.786  -3.058   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.786  -2.233   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.501  -1.821   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.072  -3.471   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.357  -3.058   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.357  -3.471   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       1.072  -3.058   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.072  -2.233   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.357  -1.821   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.357  -2.233   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.501  -0.996   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.786  -0.583   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.786   0.242   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.501   0.654   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.215   0.242   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.215  -0.583   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.786  -1.821   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.501  -2.233   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       2.501  -3.058   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       3.215  -1.821   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.501   1.479   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.917   2.062   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.501   2.646   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.084   2.062   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.501   3.471   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.072   0.655   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1      -0.247   0.655   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   14                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   20                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    6   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   29                                            
CONECT   17   16   18   24                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   11   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24   17   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   24                                                 
CONECT   28   26                                                      
CONECT   29   16   30                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0SO0F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.569   0.860   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.314   0.076   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.510   0.076   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.765   0.860   0.000  1.00  0.00           C  
HETATM    5  S   UNL     1       0.098   1.345   0.000  1.00  0.00           S  
HETATM    6  N   UNL     1      -1.354   1.115   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       1.178  -0.409   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.845   0.076   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.590   0.860   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.670   0.076   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.925   0.860   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.257   1.345   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.799  -0.592   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.619  -0.505   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.104  -1.173   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.925  -1.086   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.464  -1.345   0.000  1.00  0.00           O  
CONECT    1    2    5    6                                            
CONECT    2    1    3   13                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    1                                                 
CONECT    6    1                                                      
CONECT    7    3    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    4   12                                            
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    9                                                 
CONECT   13    2   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15                                                      
CONECT   17   13                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D0SO4O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930   2.269   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930   1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215   1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.501   1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501   2.269   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215   2.681   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.716   1.189   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.231   1.856   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.716   2.524   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.215   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.930  -0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.930  -1.031   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.215  -1.444   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.501  -1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.501  -0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.215  -2.269   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.501  -2.681   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.786  -2.269   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.072  -2.681   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.357  -2.269   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.357  -2.681   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.072  -2.269   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.072  -1.444   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.357  -1.031   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.357  -1.444   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.786  -1.031   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       2.501  -1.444   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       2.501  -2.269   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.215  -2.681   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.930  -2.269   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.930  -1.444   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.215  -1.031   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1      -0.406   1.856   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   10                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   33                                            
CONECT    9    8    5                                                 
CONECT   10    3   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33    8                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0SO6T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.921   1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.921   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.207   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.492   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.492   1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.207   1.650   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.207  -0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.921  -1.238   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.921  -2.062   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.207  -2.475   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.492  -2.062   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.492  -1.238   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.706  -0.983   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.191  -1.650   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1      -2.706  -2.317   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1       0.222  -0.825   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       0.222   0.000   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       0.937  -1.238   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.651  -0.825   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.366  -1.238   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1      -1.207   2.475   0.000  1.00  0.00          Cl  
HETATM   22  C   UNL     1       2.778  -1.952   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.191  -1.238   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   21                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10   15                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7   16                                            
CONECT   13    8   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    9                                                 
CONECT   16   12   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   22   23                                            
CONECT   21    6                                                      
CONECT   22   20   23                                                 
CONECT   23   22   20                                                 
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0SP7T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.480   0.407   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.443  -0.417   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       3.139  -0.861   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       3.871  -0.480   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       3.907   0.344   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.212   0.787   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.784   0.851   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.404   1.583   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.960   0.888   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.351   0.331   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.435   0.579   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.044   0.022   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.866  -0.783   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.079  -1.032   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.529  -0.475   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.475  -1.340   0.000  1.00  0.00           C  
HETATM   17  F   UNL     1       0.847   2.192   0.000  1.00  0.00           F  
HETATM   18  C   UNL     1       1.848   2.279   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.467   3.011   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1      -2.261  -1.091   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.870  -1.648   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.692  -2.454   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.905  -2.702   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.297  -2.146   0.000  1.00  0.00           N  
HETATM   25  H   UNL     1      -3.301  -3.011   0.000  1.00  0.00           H  
HETATM   26  C   UNL     1      -3.659  -1.398   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -3.410  -0.612   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -2.872  -1.647   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -3.907  -2.185   0.000  1.00  0.00           F  
HETATM   30  N   UNL     1       2.474   2.300   0.000  1.00  0.00           N  
HETATM   31  O   UNL     1       3.189   1.887   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8    9                                            
CONECT    8    7    9   17   18                                       
CONECT    9    8    7   10                                            
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   20   24                                            
CONECT   17    8                                                      
CONECT   18    8   19   30                                            
CONECT   19   18                                                      
CONECT   20   16   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   16                                                 
CONECT   25   22                                                      
CONECT   26   21   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30   18   31                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0SQ0F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.782   1.117   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.782   0.292   0.000  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.067  -0.121   0.000  1.00  0.00           O  
HETATM    4  C   UNL     1       0.647   0.292   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.647   1.117   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.067   1.529   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.567   1.371   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.051   0.704   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -1.567   0.037   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.780  -0.760   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.577  -0.974   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.791  -1.771   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.207  -2.354   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.410  -2.140   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.197  -1.344   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.361  -0.121   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.361  -0.946   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.076  -1.358   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.791  -0.946   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.791  -0.121   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.076   0.292   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       2.076   1.117   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.067   2.354   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   23                                            
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    2   10                                            
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    4   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16   22                                            
CONECT   22   21                                                      
CONECT   23    6                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0SQ1R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -1.296   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -2.121   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -2.534   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -2.121   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072  -1.296   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786  -0.883   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -3.215  -2.534   0.000  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -0.357  -0.883   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.786  -0.059   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.072   0.354   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -2.501   0.354   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.072   1.179   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.357  -2.534   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.357  -3.358   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.357  -2.121   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.072  -2.534   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.786  -2.121   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.786  -1.296   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.072  -0.883   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.357  -1.296   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.501  -0.883   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       3.215  -1.296   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.501  -0.059   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.357  -3.771   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.357   1.591   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.396   1.256   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       0.949   1.869   0.000  1.00  0.00           N  
HETATM   28  N   UNL     1       0.536   2.583   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.271   2.412   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.872   3.337   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -0.884   2.964   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       0.568   0.449   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -0.713   3.771   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1    9                                            
CONECT    7    2                                                      
CONECT    8    5                                                      
CONECT    9    6   10   11                                            
CONECT   10    9   12                                                 
CONECT   11    9                                                      
CONECT   12   10   25                                                 
CONECT   13    4   14   15                                            
CONECT   14   13   24                                                 
CONECT   15   13   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22   23                                            
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24   14                                                      
CONECT   25   12   26   29                                            
CONECT   26   25   27   32                                            
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28   25   31                                            
CONECT   30   28                                                      
CONECT   31   29   33                                                 
CONECT   32   26                                                      
CONECT   33   31                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0SQ4B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.004  -0.400   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.576  -1.105   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.249  -1.087   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.646  -0.364   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.218   0.341   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.607   0.323   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.456   1.131   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.222   1.601   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.879   1.102   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -1.828  -0.418   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.235   1.403   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.860   0.865   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1       1.389   2.214   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       2.198  -0.355   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.682   0.096   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.252  -0.140   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.532  -0.935   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.100  -0.742   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.692  -0.033   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       2.971   0.440   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.317   0.247   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.100  -0.012   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.100  -0.837   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.317  -1.088   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       0.674  -1.801   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1      -0.040  -2.214   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1       0.262  -1.087   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       1.389  -1.389   0.000  1.00  0.00           F  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   25                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1    9                                            
CONECT    7    5    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8    6                                                 
CONECT   10    1   21   24                                            
CONECT   11    7   12   13                                            
CONECT   12   11   15   14                                            
CONECT   13   11                                                      
CONECT   14   17   18   12                                            
CONECT   15   12   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   14                                                 
CONECT   18   14   20                                                 
CONECT   19   15   20                                                 
CONECT   20   19   18                                                 
CONECT   21   10   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   10                                                 
CONECT   25    3   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0SR0U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.237   1.486   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.237   0.661   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.522   0.248   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.808   0.661   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.808   1.486   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.522   1.898   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.093   0.248   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.522  -0.577   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.237  -0.989   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.237  -1.814   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.522  -2.227   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.808  -1.814   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.808  -0.989   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.023  -2.069   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.538  -1.402   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.023  -0.734   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.713  -1.402   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.140   1.919   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1      -1.379   0.661   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.552   2.125   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.705   2.724   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.391   3.149   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.134   2.708   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.067   3.260   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.078   4.002   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.820   4.435   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.522   3.982   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.773   4.349   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.598   4.335   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.198   5.056   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.820   3.174   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.645   1.424   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.944   1.527   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1      -2.216   4.415   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -4.951   1.898   0.000  1.00  0.00           F  
HETATM   36  N   UNL     1      -0.301  -2.116   0.000  1.00  0.00           N  
HETATM   37  C   UNL     1       0.524  -2.116   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       0.937  -1.402   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       0.524  -0.687   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.301  -0.687   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       1.679  -1.402   0.000  1.00  0.00           C  
HETATM   42  N   UNL     1       2.092  -2.116   0.000  1.00  0.00           N  
HETATM   43  C   UNL     1       1.679  -2.831   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       2.092  -3.545   0.000  1.00  0.00           C  
HETATM   45  N   UNL     1       2.917  -3.545   0.000  1.00  0.00           N  
HETATM   46  C   UNL     1       3.329  -2.831   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1       2.917  -2.116   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1       3.329  -4.260   0.000  1.00  0.00           C  
HETATM   49  C   UNL     1       4.154  -4.260   0.000  1.00  0.00           C  
HETATM   50  F   UNL     1       4.738  -3.676   0.000  1.00  0.00           F  
HETATM   51  F   UNL     1       4.951  -4.473   0.000  1.00  0.00           F  
HETATM   52  F   UNL     1       4.368  -5.056   0.000  1.00  0.00           F  
CONECT    1    2    6   35                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   18                                            
CONECT    6    5    1                                                 
CONECT    7    4   19                                                 
CONECT    8    3    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    8   16                                            
CONECT   14   12   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   13                                                 
CONECT   17   15   36   40                                            
CONECT   18    5   23   32                                            
CONECT   19    7                                                      
CONECT   20   21   33                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23   27                                            
CONECT   23   22   18   31                                            
CONECT   24   21   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   22   34                                            
CONECT   28   25   29   30                                            
CONECT   29   28   30                                                 
CONECT   30   29   28                                                 
CONECT   31   23                                                      
CONECT   32   18   33                                                 
CONECT   33   32   20                                                 
CONECT   34   27                                                      
CONECT   35    1                                                      
CONECT   36   17   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39   41                                            
CONECT   39   38   40                                                 
CONECT   40   39   17                                                 
CONECT   41   38   42                                                 
CONECT   42   41   43   47                                            
CONECT   43   42   44                                                 
CONECT   44   43   45                                                 
CONECT   45   44   46   48                                            
CONECT   46   45   47                                                 
CONECT   47   46   42                                                 
CONECT   48   45   49                                                 
CONECT   49   48   50   51   52                                       
CONECT   50   49                                                      
CONECT   51   49                                                      
CONECT   52   49                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
M  END

$$$$
D0SR5L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.369  -0.042   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.369  -0.867   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.415  -1.122   0.000  1.00  0.00           N  
HETATM    4  N   UNL     1       0.900  -0.455   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.415   0.213   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.154   0.213   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.639  -0.455   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.154  -1.122   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.975  -1.208   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.629  -1.919   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.045  -2.502   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.259  -3.299   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.056  -3.513   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.639  -2.929   0.000  1.00  0.00           N1+
HETATM   15  C   UNL     1       1.425  -2.132   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.415   1.038   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.130   1.450   0.000  1.00  0.00           N  
HETATM   18  CA  UNL     1       1.130   2.275   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.844   2.688   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       1.844   3.513   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       0.415   2.688   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.299   3.100   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.202   3.485   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.382   2.474   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.299   1.450   0.000  1.00  0.00           O  
HETATM   26  H   UNL     1      -2.436  -0.241   0.000  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.154  -1.947   0.000  1.00  0.00           H  
HETATM   28  O   UNL     1       2.436  -3.143   0.000  1.00  0.00           O1-
CONECT    1    2    5    6                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4   10                                            
CONECT    4    3    5                                                 
CONECT    5    4    1   16                                            
CONECT    6    1    7                                                 
CONECT    7    6    8    9   26                                       
CONECT    8    7    2    9   27                                       
CONECT    9    7    8                                                 
CONECT   10    3   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   28                                            
CONECT   15   14   10                                                 
CONECT   16    5   17   25                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19                                                      
CONECT   21   18   22   23   24                                       
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24   21                                                      
CONECT   25   16                                                      
CONECT   26    7                                                      
CONECT   27    8                                                      
CONECT   28   14                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0SV1I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.072  -0.996   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.072  -1.821   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.357  -2.234   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.357  -1.821   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.357  -0.996   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.357  -0.584   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       1.072  -2.234   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.786  -1.821   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.786  -0.996   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.072  -0.584   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.786  -2.234   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.529   0.223   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.349   0.309   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -1.685  -0.444   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.023   0.836   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.830   0.665   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.382   1.278   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.127   2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.320   2.234   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.232   1.621   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1      -1.039   1.792   0.000  1.00  0.00          Cl  
CONECT    1    2    6   14                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   12                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    2                                                      
CONECT   12    6   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    1                                                 
CONECT   15   12   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0SV2E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429   1.444   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.000  -0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.715   0.206   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.429  -0.206   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       2.143   0.206   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.143   1.031   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.429   1.444   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.715   1.031   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.858  -0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.858  -1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.572  -1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.287  -1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       4.287  -0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.572   0.206   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       3.572   1.031   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.858  -0.206   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1      -3.572   0.206   0.000  1.00  0.00           S  
HETATM   23  O   UNL     1      -3.160   0.921   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1      -3.985  -0.508   0.000  1.00  0.00           O  
HETATM   25  N   UNL     1      -4.287   0.619   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       4.287   1.444   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   21                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14   20                                            
CONECT   20   19   26                                                 
CONECT   21    2   22                                                 
CONECT   22   21   23   24   25                                       
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25   22                                                      
CONECT   26   20                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0SV2S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.423   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.423  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.708  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.006  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.006   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.708   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.137   0.619   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.852   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.852  -0.619   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.137  -1.031   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.721   0.619   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.474   0.283   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       2.026   0.896   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1       1.614   1.611   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.807   1.439   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.708   1.444   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.423   1.856   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.423   2.681   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.566  -1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.137  -1.856   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.852  -2.269   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1      -1.423  -2.269   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       2.852   0.896   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.566   0.484   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.566   1.309   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.423  -3.094   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -0.708   3.094   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   11                                            
CONECT    6    5    1   16                                            
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   19                                            
CONECT   10    9    2   20                                            
CONECT   11    5   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   23                                            
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16    6   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   27                                                 
CONECT   19    9                                                      
CONECT   20   10   21   22                                            
CONECT   21   20                                                      
CONECT   22   20   26                                                 
CONECT   23   13   24   25                                            
CONECT   24   23   25                                                 
CONECT   25   24   23                                                 
CONECT   26   22                                                      
CONECT   27   18                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0SV6D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.958   2.152   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.384   1.446   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.985   0.724   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.160   0.708   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.734   1.414   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.133   2.136   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.762  -0.015   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.188  -0.721   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.013  -0.705   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.439  -1.411   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.040  -2.134   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.216  -2.150   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.789  -1.443   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.937  -0.031   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.365  -0.625   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.770  -0.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.365   0.564   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -4.467  -2.840   0.000  1.00  0.00          Cl  
HETATM   19  C   UNL     1       0.055  -0.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.467  -0.745   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.467   0.684   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.292   0.684   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.705   1.398   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.292   2.113   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.467   2.113   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.055   1.398   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       0.055   2.827   0.000  1.00  0.00           F  
HETATM   28  C   UNL     1       2.530   1.398   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       3.015   0.731   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       3.799   0.986   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       3.799   1.811   0.000  1.00  0.00           N  
HETATM   32  N   UNL     1       3.015   2.066   0.000  1.00  0.00           N  
HETATM   33  O   UNL     1       4.467   0.501   0.000  1.00  0.00           O  
HETATM   34  F   UNL     1       1.292  -0.745   0.000  1.00  0.00           F  
HETATM   35  C   UNL     1       0.055  -1.460   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       0.880  -1.460   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.715   2.840   0.000  1.00  0.00           C  
HETATM   38  N   UNL     1      -1.890   2.840   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   37                                            
CONECT    7    4    8   14                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   18                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    7   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   14                                                 
CONECT   18   11                                                      
CONECT   19   16   20   21                                            
CONECT   20   19   34   35   36                                       
CONECT   21   19   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   21                                                 
CONECT   27   25                                                      
CONECT   28   23   29   32                                            
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   28                                                 
CONECT   33   30                                                      
CONECT   34   20                                                      
CONECT   35   20                                                      
CONECT   36   20                                                      
CONECT   37    6   38                                                 
CONECT   38   37                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0SW0V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.360  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.360  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.645  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.931  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.931  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.645  -0.412   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -6.074  -2.062   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.216  -0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.502  -0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.787  -0.412   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.073  -0.825   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1      -1.787   0.412   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.358  -0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.356  -0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.071  -0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.785  -0.825   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.071   0.412   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.499  -0.412   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       3.214  -0.825   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       3.928  -0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.643  -0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       5.357  -0.412   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       5.357   0.412   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       4.643   0.825   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.928   0.412   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.643  -1.650   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       5.357  -2.062   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       6.072  -1.650   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       6.072  -0.825   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.643   1.650   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.928   2.062   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.214   1.650   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.214   0.825   0.000  1.00  0.00           C  
HETATM   34 CL   UNL     1       6.786  -2.062   0.000  1.00  0.00          Cl  
HETATM   35  O   UNL     1      -6.074  -0.412   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1      -6.786  -0.824   0.000  1.00  0.00           C  
CONECT    1   35    2    6                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10   13                                                 
CONECT   12   10                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   25                                            
CONECT   21   20   22   26                                            
CONECT   22   21   23   29                                            
CONECT   23   22   24                                                 
CONECT   24   23   25   30                                            
CONECT   25   24   20   33                                            
CONECT   26   21   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   34                                            
CONECT   29   28   22                                                 
CONECT   30   24   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   25                                                 
CONECT   34   28                                                      
CONECT   35   36    1                                                 
CONECT   36   35                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0SW2Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.575   2.451   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.575   1.626   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.861   1.214   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.146   1.626   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.146   2.451   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.861   2.864   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.432   1.214   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.345   0.393   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.462   0.222   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.874   0.936   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.322   1.549   0.000  1.00  0.00           N  
HETATM   12 CL   UNL     1      -3.290   2.864   0.000  1.00  0.00          Cl  
HETATM   13 CL   UNL     1      -0.432   2.864   0.000  1.00  0.00          Cl  
HETATM   14  C   UNL     1       1.699   0.936   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.983  -0.131   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.983  -0.956   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.345  -1.460   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.462  -1.265   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.808  -0.516   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.729   0.222   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.443  -0.191   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.158   0.222   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.872  -0.191   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.872  -1.016   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.158  -1.428   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.443  -1.016   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -4.587  -1.428   0.000  1.00  0.00           F  
HETATM   28  N   UNL     1       2.111   0.222   0.000  1.00  0.00           N  
HETATM   29  O   UNL     1       2.111   1.651   0.000  1.00  0.00           O  
HETATM   30  N   UNL     1       2.937   0.222   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       3.349  -0.493   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.174  -0.493   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.587   0.222   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.174   0.936   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.349   0.936   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1       0.487  -2.468   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1       1.071  -1.884   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       1.654  -2.468   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       0.487  -1.301   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       1.654  -1.301   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.310  -2.254   0.000  1.00  0.00           C  
HETATM   42  O   UNL     1      -0.866  -2.864   0.000  1.00  0.00           O  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   13                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   15                                            
CONECT    9    8   10   19                                            
CONECT   10    9   11   14                                            
CONECT   11   10    7                                                 
CONECT   12    1                                                      
CONECT   13    5                                                      
CONECT   14   10   28   29                                            
CONECT   15    8   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   41                                            
CONECT   18   17   19                                                 
CONECT   19   18    9                                                 
CONECT   20   15   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   24                                                      
CONECT   28   14   30                                                 
CONECT   29   14                                                      
CONECT   30   28   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
CONECT   36   37   41                                                 
CONECT   37   36   38   39   40                                       
CONECT   38   37                                                      
CONECT   39   37                                                      
CONECT   40   37                                                      
CONECT   41   17   42   36                                            
CONECT   42   41                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D0SX1B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.299   1.565   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.882   0.981   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.669   0.184   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.872  -0.029   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.288   0.554   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.502   1.351   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.497  -0.764   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.682  -0.635   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.553   0.180   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.512   2.362   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.726   3.159   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.818   0.554   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.151   0.069   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.603   0.405   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.689   1.225   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.022   1.710   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.732   1.375   0.000  1.00  0.00           N  
HETATM   18  N   UNL     1       1.357   0.069   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       1.909   0.682   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.496   1.397   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1       2.729   0.596   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       1.528  -0.738   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.915  -1.290   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.087  -2.097   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.871  -2.352   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.484  -1.799   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.313  -0.993   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       2.043  -3.159   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       3.269  -2.054   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.882  -1.502   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.711  -0.695   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.926  -0.440   0.000  1.00  0.00           C  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   12                                            
CONECT   10    1   11                                                 
CONECT   11   10                                                      
CONECT   12    9   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   14   19   22                                            
CONECT   19   18   20   21                                            
CONECT   20   19   15                                                 
CONECT   21   19                                                      
CONECT   22   23   27   18                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27   29                                            
CONECT   27   26   22   32                                            
CONECT   28   25                                                      
CONECT   29   26   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END

$$$$

$$$$

$$$$
D0SY6J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.742   0.972   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.742   0.147   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.028  -0.266   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.314   0.147   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.314   0.972   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.028   1.384   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.527   1.227   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.012   0.559   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.527  -0.108   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.782   2.011   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.401  -0.266   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.487  -1.086   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.294  -1.258   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.707  -0.543   0.000  1.00  0.00           C  
HETATM   15  S   UNL     1       1.155   0.070   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1       1.630  -2.011   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.527  -0.457   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       2.863   0.297   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       3.012  -1.124   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1      -1.028   1.797   0.000  1.00  0.00           N1+
HETATM   21  O   UNL     1      -0.314   1.384   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1      -1.742   1.384   0.000  1.00  0.00           O1-
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   11                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   20                                            
CONECT    7    1    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    7                                                      
CONECT   11    4   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   17                                            
CONECT   15   14   11                                                 
CONECT   16   13                                                      
CONECT   17   14   18   19                                            
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20    6   21   22                                            
CONECT   21   20                                                      
CONECT   22   20                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0SY6P
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287  -1.413   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287  -2.238   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572  -2.650   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858  -2.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858  -1.413   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.572  -1.000   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -5.001  -2.650   0.000  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -2.143  -1.000   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.572  -0.175   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.858   0.237   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -4.287   0.237   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.858   1.062   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.143  -2.650   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.143  -3.475   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.429  -2.238   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.715  -2.650   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.000  -2.238   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.000  -1.413   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.715  -1.000   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.429  -1.413   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       0.715  -1.000   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       1.429  -1.413   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.715  -0.175   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.429  -3.888   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.143  -1.000   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.858  -1.413   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.572  -1.000   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.572  -0.175   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.858   0.237   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.143  -0.175   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.143   1.475   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.390   1.139   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1      -0.838   1.752   0.000  1.00  0.00           N  
HETATM   34  N   UNL     1      -1.250   2.467   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1      -2.057   2.295   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.915   3.220   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.670   2.847   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1      -1.218   0.332   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1      -1.400   3.888   0.000  1.00  0.00           C  
HETATM   40  O   UNL     1       4.287  -1.413   0.000  1.00  0.00           O  
HETATM   41  C   UNL     1       5.001  -1.000   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1    9                                            
CONECT    7    2                                                      
CONECT    8    5                                                      
CONECT    9    6   10   11                                            
CONECT   10    9   12                                                 
CONECT   11    9                                                      
CONECT   12   10   31                                                 
CONECT   13    4   14   15                                            
CONECT   14   13   24                                                 
CONECT   15   13   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22   23                                            
CONECT   22   21   25                                                 
CONECT   23   21                                                      
CONECT   24   14                                                      
CONECT   25   22   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   40                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   12   32   35                                            
CONECT   32   31   33   38                                            
CONECT   33   32   34                                                 
CONECT   34   33   35   36                                            
CONECT   35   34   31   37                                            
CONECT   36   34   39                                                 
CONECT   37   35                                                      
CONECT   38   32                                                      
CONECT   39   36                                                      
CONECT   40   27   41                                                 
CONECT   41   40                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D0SZ3I
  -OEChem-09301911262D

 57 61  0     1  0  0  0  0  0999 V2000
    6.3201    5.1956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8714   -2.6525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.6437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4283    4.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    3.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5365    4.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8807    3.8514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    2.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9758    5.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.8389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -0.3178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -0.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103   -2.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209   -2.9631    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2781   -1.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318   -1.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2316   -3.9137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9704   -3.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5637   -4.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101   -4.1199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8744   -5.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5208   -5.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8529   -5.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4597    2.9954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2560    4.8436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9836    4.0102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1612    3.2985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4336    4.1319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5287    5.9155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6953    6.1879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4229    5.3544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3536    5.8147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.4537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815    0.1437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7144   -0.7280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8848   -1.3962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2177   -2.2679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.6663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7778   -2.6845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3811   -3.4664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630   -3.8631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3329   -3.0665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9571   -4.5301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6242   -3.6584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4603   -6.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1274   -5.1983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0455   -6.4040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 40  1  0  0  0  0
  2 22  1  0  0  0  0
  2 52  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  3 15  1  0  0  0  0
  4 11  2  0  0  0  0
  4 14  1  0  0  0  0
  5 17  2  0  0  0  0
  5 18  1  0  0  0  0
  6 17  1  0  0  0  0
  6 47  1  0  0  0  0
  6 48  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 15 18  2  0  0  0  0
 15 41  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 18 42  1  0  0  0  0
 19 23  1  0  0  0  0
 19 43  1  0  0  0  0
 20 24  2  0  0  0  0
 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 29  1  0  0  0  0
 27 53  1  0  0  0  0
 28 30  2  0  0  0  0
 28 54  1  0  0  0  0
 29 31  2  0  0  0  0
 29 55  1  0  0  0  0
 30 31  1  0  0  0  0
 30 56  1  0  0  0  0
 31 57  1  0  0  0  0
M  END

$$$$
D0SZ5A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.002  -1.115   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.178  -1.115   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.765  -0.400   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.178   0.314   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.002   0.314   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.415  -0.400   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.958  -0.229   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.872   0.592   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.625   0.927   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.157   1.004   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.157   1.829   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1       0.557   0.592   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.557  -0.233   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.272  -0.646   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.986  -0.233   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.986   0.592   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.272   1.004   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.700  -0.646   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.415  -0.233   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.415   0.592   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.700   1.004   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.272   1.829   0.000  1.00  0.00           C  
HETATM   23 BR   UNL     1      -3.415  -1.829   0.000  1.00  0.00          Br  
CONECT    1    2    6   23                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    4                                                 
CONECT   10    8   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17   21                                            
CONECT   17   16   12   22                                            
CONECT   18   15   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   17                                                      
CONECT   23    1                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0SZ7H
  -OEChem-09301911162D

 30 32  0     1  0  0  0  0  0999 V2000
    4.2690   -1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648    0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -0.4597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.8450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812    1.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1648   -0.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1648    1.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1648   -0.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1648    1.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6648    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    1.8200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    1.8200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738    1.7390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8548   -1.0580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8548    1.7480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4748   -1.0580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4748    1.7480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2848    0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 27  1  0  0  0  0
  2 11  2  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 10  2  0  0  0  0
  8  6  1  1  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 11  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 25  1  0  0  0  0
 15 17  2  0  0  0  0
 15 26  1  0  0  0  0
 16 18  2  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END

$$$$
D0T0CB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.287   1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.287   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.572   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.858   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.858   1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.572   1.650   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -3.572   2.475   0.000  1.00  0.00          Cl  
HETATM    8  N   UNL     1      -2.143   1.650   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.429   1.238   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.715   1.650   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1      -1.429   0.412   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.000   1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.000   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.715   0.000   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.429   1.238   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.715   1.650   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.143   0.000   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.858   0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.858   1.238   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.143   1.650   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.143  -0.825   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.858  -1.238   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.858  -2.062   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.572  -2.475   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.287  -2.062   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.287  -1.238   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.572  -0.825   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    5    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   12                                                 
CONECT   11    9                                                      
CONECT   12   10   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17   21                                            
CONECT   17   16   12                                                 
CONECT   18   15   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   18   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0T0HM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.231   1.198   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       1.945   0.786   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       2.660   1.198   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       3.374   0.786   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       4.089   1.198   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       4.803   0.786   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       4.889  -0.035   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       5.696  -0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       6.109   0.508   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       5.557   1.121   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       1.231   2.023   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.516   0.786   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.198   1.198   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.913   0.786   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.913  -0.039   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.198  -0.452   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.516  -0.039   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.627  -0.452   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.342  -0.039   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.428   0.781   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.235   0.953   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.647   0.238   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.095  -0.375   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.015   1.496   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.567   2.109   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.321   1.773   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.267  -1.182   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.468   0.152   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.803  -0.602   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.624  -0.688   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.959  -1.441   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.474  -2.109   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.654  -2.023   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.319  -1.269   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1      -6.109  -0.020   0.000  1.00  0.00           F  
CONECT    1    2   11   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7   10                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    6                                                 
CONECT   11    1                                                      
CONECT   12    1   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21   24                                            
CONECT   21   20   22   26                                            
CONECT   22   21   23   28                                            
CONECT   23   22   19   27                                            
CONECT   24   20   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   23                                                      
CONECT   28   22   29                                                 
CONECT   29   28   30   34                                            
CONECT   30   29   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   30                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END

$$$$

$$$$

$$$$
D0T0OQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.299   0.907   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.299   0.082   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.416  -0.330   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.130   0.082   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.130   0.907   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.416   1.320   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.013   1.320   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.013  -0.330   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.013   2.145   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.728   2.557   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.442   2.145   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.442   1.320   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.728   0.907   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.728   0.082   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.442  -0.330   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.442  -1.155   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.728  -1.568   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.013  -1.155   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.915  -0.173   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       2.400   0.495   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.915   1.162   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.170   1.947   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.225   0.495   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.637  -0.220   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       3.637   1.209   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       4.462  -0.220   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.225  -0.934   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.050  -0.934   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.157  -1.568   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.910  -1.232   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -4.462  -1.845   0.000  1.00  0.00           N  
HETATM   32  N   UNL     1      -4.050  -2.560   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1      -3.243  -2.388   0.000  1.00  0.00           C  
HETATM   34 CL   UNL     1      -3.157   2.557   0.000  1.00  0.00          Cl  
HETATM   35 CL   UNL     1      -0.299  -1.568   0.000  1.00  0.00          Cl  
HETATM   36  C   UNL     1      -4.082  -0.425   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1       2.977   2.118   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1       1.618   2.560   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   19                                            
CONECT    5    4    6   21                                            
CONECT    6    5    1                                                 
CONECT    7    1    9   13                                            
CONECT    8    2   14   18                                            
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   34                                            
CONECT   12   11   13                                                 
CONECT   13   12    7                                                 
CONECT   14    8   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   29                                            
CONECT   17   16   18                                                 
CONECT   18   17    8   35                                            
CONECT   19    4   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20    5   22                                            
CONECT   22   21   37   38                                            
CONECT   23   20   24   25                                            
CONECT   24   23   26   27   28                                       
CONECT   25   23                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
CONECT   28   24                                                      
CONECT   29   16   30   33                                            
CONECT   30   29   31   36                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   29                                                 
CONECT   34   11                                                      
CONECT   35   18                                                      
CONECT   36   30                                                      
CONECT   37   22                                                      
CONECT   38   22                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0T0RV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.082  -1.190   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.082  -2.015   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.367  -2.428   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.653  -2.015   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.653  -1.190   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.367  -0.777   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.367   0.048   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.653   0.460   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.653   1.285   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.367   1.698   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.082   1.285   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.082   0.460   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.062   1.698   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.776   1.285   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.491   1.698   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.776   0.460   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       2.205   1.285   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.920   1.698   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.920   2.522   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.205   2.935   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.491   2.522   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1       3.634   2.935   0.000  1.00  0.00           S  
HETATM   23  C   UNL     1       4.348   2.522   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.435   1.702   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.242   1.530   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       5.654   2.245   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       5.102   2.858   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       5.274   3.665   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       0.062  -0.777   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       0.776  -1.190   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.796  -2.428   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1      -3.511  -2.015   0.000  1.00  0.00           N  
HETATM   33  O   UNL     1      -2.796  -3.252   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.225  -2.428   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.940  -2.015   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.654  -2.428   0.000  1.00  0.00           C  
HETATM   37  N   UNL     1      -5.654  -3.252   0.000  1.00  0.00           N  
HETATM   38  C   UNL     1      -4.940  -3.665   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.225  -3.252   0.000  1.00  0.00           C  
HETATM   40  F   UNL     1      -4.940  -1.190   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   31                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   29                                            
CONECT    6    5    1    7                                            
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    9   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   17   21                                            
CONECT   16   14                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   15                                                 
CONECT   22   19   23                                                 
CONECT   23   22   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   23   28                                            
CONECT   28   27                                                      
CONECT   29    5   30                                                 
CONECT   30   29                                                      
CONECT   31    2   32   33                                            
CONECT   32   31   34                                                 
CONECT   33   31                                                      
CONECT   34   32   35   39                                            
CONECT   35   34   36   40                                            
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   34                                                 
CONECT   40   35                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0T0YA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.817   1.087   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.817   0.262   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.103  -0.151   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.388   0.262   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.388   1.087   0.000  1.00  0.00           C  
HETATM    6  S   UNL     1      -1.103   1.499   0.000  1.00  0.00           S  
HETATM    7  C   UNL     1       0.397   0.007   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.881   0.674   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1       0.397   1.341   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1      -2.531   1.499   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.515   2.213   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -0.690   2.213   0.000  1.00  0.00           O  
HETATM   13  N   UNL     1      -1.103  -0.976   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.817  -1.389   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.817  -2.213   0.000  1.00  0.00           C  
HETATM   16  S   UNL     1       1.706   0.674   0.000  1.00  0.00           S  
HETATM   17  N   UNL     1       2.531   0.674   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       1.706   1.499   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       1.706  -0.151   0.000  1.00  0.00           O  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   13                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   11   12                                       
CONECT    7    4    8                                                 
CONECT    8    7    9   16                                            
CONECT    9    8    5                                                 
CONECT   10    1                                                      
CONECT   11    6                                                      
CONECT   12    6                                                      
CONECT   13    3   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14                                                      
CONECT   16    8   17   18   19                                       
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19   16                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D0T1BE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -4.015  -0.414   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.598  -0.997   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.223  -1.733   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.408  -1.604   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.279  -0.789   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.598  -2.468   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.544  -0.414   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.830  -0.827   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -2.523   0.411   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.115  -0.414   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.830  -1.652   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.115  -2.064   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.544  -2.064   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.401  -0.827   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.401  -1.652   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.314  -2.064   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.028  -1.652   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.028  -0.827   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.314  -0.414   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.742  -0.414   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.457  -0.827   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.171  -0.414   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.171   0.411   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.457   0.823   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.742   0.411   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       3.886   0.823   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       3.886   1.646   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1       3.886   2.468   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1       3.174   2.057   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1       4.598   2.057   0.000  1.00  0.00           F  
CONECT    1    2    5                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4    1    7                                            
CONECT    6    3                                                      
CONECT    7    5    8    9                                            
CONECT    8    7   10   11                                            
CONECT    9    7                                                      
CONECT   10    8   14                                                 
CONECT   11    8   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14   10   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   14                                                 
CONECT   20   18   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   26   22   24                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   27   23                                                 
CONECT   27   28   29   30   26                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0T1GB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.301   0.659   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.301  -0.166   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.587  -0.578   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.872  -0.166   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.872   0.659   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.587   1.072   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.158  -0.578   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.443  -0.166   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.443   0.659   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.158   1.072   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.158   1.897   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.158  -1.403   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1       0.341  -0.421   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.826   0.247   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.341   0.914   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.651   0.247   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.064   0.961   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.064  -0.468   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.587  -1.403   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       1.651  -1.182   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.064  -1.897   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.889  -1.897   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.301  -1.182   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.889  -0.468   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   19                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10   15                                            
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    7                                                      
CONECT   13    8   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14    9                                                 
CONECT   16   14   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   20   24                                            
CONECT   19    3                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0T1GG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.185  -1.706   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.185  -2.531   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.899  -2.944   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.614  -2.531   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.614  -1.706   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.899  -1.294   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.328  -2.944   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       3.043  -2.531   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       3.757  -2.944   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1       3.043  -1.706   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       4.472  -2.531   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       5.186  -2.944   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       5.901  -2.531   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       5.901  -1.706   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       5.186  -1.294   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       4.472  -1.706   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       5.186  -0.469   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.529  -1.294   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.616  -0.473   0.000  1.00  0.00           N  
HETATM   20  S   UNL     1      -1.423  -0.302   0.000  1.00  0.00           S  
HETATM   21  C   UNL     1      -1.835  -1.016   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.283  -1.629   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.455  -2.436   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.842  -2.988   0.000  1.00  0.00           N  
HETATM   25  O   UNL     1      -2.239  -2.691   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1      -2.656  -1.103   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.141  -0.435   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.961  -0.521   0.000  1.00  0.00           N  
HETATM   29  O   UNL     1      -2.805   0.319   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -4.446   0.146   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.266   0.060   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.751   0.727   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1      -5.416   1.481   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1      -4.595   1.567   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.260   2.321   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1      -4.745   2.988   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1      -5.565   2.902   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.901   2.148   0.000  1.00  0.00           C  
CONECT    1    2    6   18                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   11                                                 
CONECT   17   15                                                      
CONECT   18    1   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   18   23                                            
CONECT   23   22   24   25                                            
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   21   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   30                                                 
CONECT   29   27                                                      
CONECT   30   28   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   38                                            
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   33                                                 
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0T1JN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.285   0.111   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.285  -0.715   0.000  1.00  0.00           C  
HETATM    3  S   UNL     1      -1.500  -0.969   0.000  1.00  0.00           S  
HETATM    4  C   UNL     1      -1.015  -0.302   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.500   0.365   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.190  -0.302   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.222   0.412   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.222  -1.016   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1       1.047   0.412   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.460   1.127   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.047   1.841   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       2.285   1.127   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       1.460   2.556   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.047   3.270   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.222   3.270   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.190   2.556   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.222   1.841   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.190   1.127   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1       2.285   2.556   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1      -0.190  -1.731   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.222  -2.445   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.047  -2.445   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.460  -1.731   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.047  -1.016   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1       1.047  -3.270   0.000  1.00  0.00           F  
HETATM   26  F   UNL     1       1.762  -2.858   0.000  1.00  0.00           F  
CONECT    1    2    5                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    1                                                 
CONECT    6    4    7    8                                            
CONECT    7    6    9                                                 
CONECT    8    6   20   24                                            
CONECT    9    7   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10   13   17                                            
CONECT   12   10                                                      
CONECT   13   11   14   19                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   11   18                                            
CONECT   18   17                                                      
CONECT   19   13                                                      
CONECT   20    8   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25   26                                       
CONECT   23   22   24                                                 
CONECT   24   23    8                                                 
CONECT   25   22                                                      
CONECT   26   22                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0T1MA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.988   0.930   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.988   0.105   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.274  -0.308   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.441   0.105   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.441   0.930   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.274   1.342   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.601  -0.447   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -1.266  -1.201   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.445  -1.114   0.000  1.00  0.00           C  
HETATM   10  S   UNL     1       1.225  -0.150   0.000  1.00  0.00           S  
HETATM   11  C   UNL     1       1.710   0.517   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.225   1.185   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.480   1.970   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.928   2.583   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       2.287   2.141   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       2.535   0.517   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       2.948  -0.197   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.535  -0.911   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       3.773  -0.197   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.678  -1.915   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.503  -1.915   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.988  -1.248   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.773  -1.503   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.773  -2.328   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.988  -2.583   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6   12                                            
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7    9   20                                            
CONECT    9    8    3                                                 
CONECT   10    4   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11    5   13                                            
CONECT   13   12   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   11   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20    8   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END

$$$$

$$$$

$$$$
D0T1UU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.086   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.086  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.629  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.343  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.343   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.629   0.412   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.128  -1.080   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.613  -0.412   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       2.128   0.255   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1       3.438  -0.412   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       3.850   0.302   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       4.675   0.302   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       5.088   1.016   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       4.675   1.731   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       3.850   1.731   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.438   1.016   0.000  1.00  0.00           C  
HETATM   17 CL   UNL     1       2.613   1.016   0.000  1.00  0.00          Cl  
HETATM   18 CL   UNL     1       5.088  -0.412   0.000  1.00  0.00          Cl  
HETATM   19  C   UNL     1      -0.800   0.412   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.515   0.000   0.000  1.00  0.00           N  
HETATM   21  O   UNL     1      -0.800   1.238   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.229   0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.229   1.238   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.943   1.650   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.658   1.238   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.658   0.412   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.943   0.000   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.800  -1.238   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.800  -2.062   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.943   2.475   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.515  -2.475   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.373   0.000   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1      -3.961  -0.715   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -5.088  -0.412   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -4.786   0.715   0.000  1.00  0.00           F  
CONECT    1    2    6   19                                            
CONECT    2    1    3   28                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13   18                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11   17                                            
CONECT   17   16                                                      
CONECT   18   12                                                      
CONECT   19    1   20   21                                            
CONECT   20   19   22                                                 
CONECT   21   19                                                      
CONECT   22   20   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25   30                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   32                                            
CONECT   27   26   22                                                 
CONECT   28    2   29                                                 
CONECT   29   28   31                                                 
CONECT   30   24                                                      
CONECT   31   29                                                      
CONECT   32   26   33   34   35                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0T1WB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.858  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143  -1.031   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.143  -0.206   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.858   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429   0.206   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.715  -0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.000   0.206   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.000   1.031   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.715   1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.429   1.031   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.715   2.269   0.000  1.00  0.00           O  
HETATM   14  O   UNL     1       0.715  -0.206   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.715  -1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.000  -1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.715  -1.856   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.429  -2.269   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.287   0.206   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       0.715   1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.429   1.031   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.429   0.206   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.143  -0.206   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.858   0.206   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.858   1.031   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       2.143   1.444   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       3.572  -0.206   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.287   0.206   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.287   1.031   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.572   1.444   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.143  -1.031   0.000  1.00  0.00           C  
CONECT    1    2    6   19                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9   15                                            
CONECT    9    8   10   14                                            
CONECT   10    9   11   20                                            
CONECT   11   10   12   13                                            
CONECT   12   11    7                                                 
CONECT   13   11                                                      
CONECT   14    9                                                      
CONECT   15    8   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17                                                      
CONECT   19    1                                                      
CONECT   20   10   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   31                                            
CONECT   24   23   25   27                                            
CONECT   25   24   26   30                                            
CONECT   26   25   21                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   23                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0T1YB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       5.558  -0.485   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       5.558  -1.310   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       6.273  -1.723   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       6.987  -1.310   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       6.987  -0.485   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       6.273  -0.073   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       4.844  -0.073   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       4.130  -0.485   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       3.415  -0.073   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.700  -0.485   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.986  -0.073   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.272  -0.485   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.557  -0.073   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.157  -0.485   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.872  -0.073   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.586  -0.485   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.301  -0.073   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.015  -0.485   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.730  -0.073   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.444  -0.485   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       3.415   0.752   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       2.700  -1.310   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       0.557   0.752   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.586  -1.310   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.730   0.752   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.198  -0.150   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.750  -0.763   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.337  -1.478   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.530  -1.306   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.575  -0.763   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.987  -1.478   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.575  -2.192   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.750  -2.192   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.301   0.752   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.965   1.310   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1      -3.015   1.165   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1      -3.015   1.990   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.157  -1.310   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       0.557  -1.723   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       0.557  -2.548   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       1.272  -2.961   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       1.986  -2.548   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       1.986  -1.723   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       1.272  -1.310   0.000  1.00  0.00           C  
HETATM   45  O   UNL     1       2.700  -2.961   0.000  1.00  0.00           O  
HETATM   46  C   UNL     1       3.415  -2.548   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1       2.679   1.723   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1       3.393   1.310   0.000  1.00  0.00           C  
HETATM   49  C   UNL     1       4.108   1.723   0.000  1.00  0.00           C  
HETATM   50  C   UNL     1       4.108   2.548   0.000  1.00  0.00           C  
HETATM   51  C   UNL     1       3.393   2.961   0.000  1.00  0.00           C  
HETATM   52  C   UNL     1       2.679   2.548   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   21                                            
CONECT   10    9   11   22                                            
CONECT   11   10   12   35                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   23                                            
CONECT   14   13   15   38                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   24                                            
CONECT   17   16   18   34                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   25                                            
CONECT   20   19   26   29                                            
CONECT   21    9                                                      
CONECT   22   10                                                      
CONECT   23   13                                                      
CONECT   24   16                                                      
CONECT   25   19                                                      
CONECT   26   20   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29   33                                            
CONECT   29   28   20                                                 
CONECT   30   27   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34   17   36                                                 
CONECT   35   11   47                                                 
CONECT   36   34   37                                                 
CONECT   37   36                                                      
CONECT   38   14   39                                                 
CONECT   39   38   40   44                                            
CONECT   40   39   41                                                 
CONECT   41   40   42                                                 
CONECT   42   41   43   45                                            
CONECT   43   42   44                                                 
CONECT   44   43   39                                                 
CONECT   45   42   46                                                 
CONECT   46   45                                                      
CONECT   47   35   48   52                                            
CONECT   48   47   49                                                 
CONECT   49   48   50                                                 
CONECT   50   49   51                                                 
CONECT   51   50   52                                                 
CONECT   52   51   47                                                 
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
M  END

$$$$
D0T2KT
  -OEChem-09301911172D

 46 50  0     0  0  0  0  0  0999 V2000
    2.8660   -0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -2.5242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6794   -0.7331    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580   -2.5347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -2.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320   -1.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -2.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602   -2.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8680   -0.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -1.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6732   -2.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580   -0.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2599   -1.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8578   -3.1508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1258   -3.1441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8703    0.0892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4643   -0.7154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8636   -2.9326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    0.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8743   -0.1445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8799   -1.5425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 25  1  0  0  0  0
  2 30  1  0  0  0  0
  3 17  2  0  0  0  0
  4  9  1  0  0  0  0
  4 17  1  0  0  0  0
  4 23  1  0  0  0  0
  5 13  1  0  0  0  0
  5 18  1  0  0  0  0
  5 33  1  0  0  0  0
  6 12  1  0  0  0  0
  6 24  1  0  0  0  0
  6 38  1  0  0  0  0
  7  9  2  0  0  0  0
  7 18  1  0  0  0  0
  8 18  2  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 10 22  2  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 11 21  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  2  0  0  0  0
 13 20  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 32  1  0  0  0  0
 19 20  2  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 24  2  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 43  1  0  0  0  0
 27 29  2  0  0  0  0
 27 44  1  0  0  0  0
 28 30  2  0  0  0  0
 28 45  1  0  0  0  0
 29 30  1  0  0  0  0
 29 46  1  0  0  0  0
M  END

$$$$
D0T2LN
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.386   0.588   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.115  -0.191   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.291  -0.175   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.051   0.614   0.000  1.00  0.00           C  
HETATM    5  S   UNL     1      -1.728   1.086   0.000  1.00  0.00           S  
HETATM    6  C   UNL     1      -3.175   0.828   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.272   0.885   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.352   0.344   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.132   0.615   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       0.196  -0.466   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.715   0.204   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.525   0.360   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.065  -0.264   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.795  -1.043   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.985  -1.199   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.445  -0.575   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.820   0.160   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.465   0.675   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.175   1.447   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.351   1.447   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.261   0.455   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.468  -0.343   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.263  -0.563   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.851   0.016   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.644   0.815   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.848   1.034   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       5.207   1.425   0.000  1.00  0.00           N1+
HETATM   28  O   UNL     1       5.207   2.249   0.000  1.00  0.00           O  
HETATM   29  O   UNL     1       5.920   1.013   0.000  1.00  0.00           O1-
HETATM   30  C   UNL     1      -5.336  -1.666   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -5.920  -1.083   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -4.752  -1.082   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -4.753  -2.249   0.000  1.00  0.00           F  
CONECT    1    2    5    6                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    1                                                 
CONECT    6    1   11                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8   17   20                                            
CONECT   10    8                                                      
CONECT   11    6   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   30                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    9   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19    9                                                 
CONECT   21   18   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   21                                                 
CONECT   27   25   28   29                                            
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   14   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0T2OX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.295   0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.295   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.580  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.866   0.000   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.866   0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.580   1.238   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -4.079   1.080   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -4.564   0.412   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.079  -0.255   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.334  -1.040   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -2.580  -1.238   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.866  -1.650   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.866  -2.475   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.151  -1.238   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.151   1.238   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.437   0.825   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.278   1.238   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.278   2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.437   2.475   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.151   2.062   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.992   2.475   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       0.992   3.300   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1       1.706   2.062   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1       0.992   0.825   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       0.992   0.000   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.706  -0.412   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       2.421   0.000   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       2.421   0.825   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.706   1.238   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.135  -0.412   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.135  -1.238   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.850  -1.650   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.564  -1.238   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       4.564  -0.412   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.850   0.000   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1      -2.580  -2.888   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -1.151  -2.888   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1      -1.866  -3.300   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   11                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   15                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    2   10                                            
CONECT   10    9                                                      
CONECT   11    3   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   36   37   38                                       
CONECT   14   12                                                      
CONECT   15    5   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   24                                            
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22   23                                            
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24   17   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   27   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0T2QP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.644  -1.997   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930  -1.584   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.215  -1.997   0.000  1.00  0.00           C  
HETATM    4  S   UNL     1      -2.501  -1.584   0.000  1.00  0.00           S  
HETATM    5  O   UNL     1      -2.913  -0.870   0.000  1.00  0.00           O  
HETATM    6  O   UNL     1      -2.088  -2.299   0.000  1.00  0.00           O  
HETATM    7  N   UNL     1      -1.786  -1.172   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.072  -1.584   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.357  -1.172   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.357  -0.347   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.072   0.066   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.786  -0.347   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.357   0.066   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.072  -0.347   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.072   0.478   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.072   1.303   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.357   1.716   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.357   1.303   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.357   0.478   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.786   0.066   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.501  -0.347   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.215   0.066   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.930  -0.347   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.644   0.066   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.644   0.891   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.930   1.303   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.215   0.891   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       2.501  -1.172   0.000  1.00  0.00           O  
HETATM   29  F   UNL     1       3.930  -1.172   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1       2.501   1.303   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1       0.941   2.299   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -0.226   2.299   0.000  1.00  0.00           F  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    6    7                                       
CONECT    5    4                                                      
CONECT    6    4                                                      
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15   19                                       
CONECT   14   13   20                                                 
CONECT   15   13   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   31   32                                       
CONECT   18   17   19                                                 
CONECT   19   18   13                                                 
CONECT   20   14   21                                                 
CONECT   21   20   22   28                                            
CONECT   22   21   23   27                                            
CONECT   23   22   24   29                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   22   30                                            
CONECT   28   21                                                      
CONECT   29   23                                                      
CONECT   30   27                                                      
CONECT   31   17                                                      
CONECT   32   17                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0T3TZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.475   2.330   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.475   1.505   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.760   1.093   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.046   1.505   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.046   2.330   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.760   2.743   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.739   1.250   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.224   1.918   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.739   2.585   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1       2.049   1.918   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       2.461   2.632   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.286   2.632   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       2.049   3.347   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       0.994   0.466   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.442  -0.147   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.697  -0.932   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.504  -1.103   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.056  -0.490   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.801   0.294   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.759  -1.888   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       1.207  -2.501   0.000  1.00  0.00           O  
HETATM   22  N   UNL     1       2.566  -2.060   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.821  -2.844   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.269  -3.457   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.628  -3.016   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.189   1.093   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.904   1.505   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -2.904   2.330   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.618   2.743   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.332   2.330   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.332   1.505   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.618   1.093   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.047   2.743   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1      -5.761   2.330   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1      -5.459   3.457   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.634   3.457   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.699   1.918   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       4.524   1.918   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       4.936   2.632   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       4.524   3.347   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       3.699   3.347   0.000  1.00  0.00           C  
HETATM   42  F   UNL     1       5.761   2.632   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   26                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   14                                            
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11   37   41                                            
CONECT   13   11                                                      
CONECT   14    7   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21   22                                            
CONECT   21   20                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26    2   27                                                 
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   30   34   35   36                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
CONECT   37   12   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40   42                                            
CONECT   40   39   41                                                 
CONECT   41   40   12                                                 
CONECT   42   39                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D0T4CF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.969  -0.600   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.969  -1.425   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.254  -1.837   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.540  -1.425   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.540  -0.600   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.254  -0.188   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.683  -0.188   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.175  -0.188   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.889  -0.600   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1       0.175   0.638   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.604  -0.188   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.769   0.633   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1      -3.576   0.805   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.989   0.090   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.437  -0.523   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.912   1.558   0.000  1.00  0.00           C  
HETATM   17 CL   UNL     1       0.175  -1.837   0.000  1.00  0.00          Cl  
HETATM   18  N   UNL     1       2.357  -0.523   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1       2.909   0.090   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.497   0.804   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.690   0.633   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.833   1.558   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.529  -1.330   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.916  -1.882   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.087  -2.689   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.872  -2.944   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.485  -2.392   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.313  -1.585   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.653   1.644   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.989   2.398   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       3.504   3.065   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       2.683   2.979   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.348   2.226   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.684  -1.837   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1      -1.975  -3.065   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1      -3.912  -2.546   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -3.393  -0.609   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3   34                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   17                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    1   12   15                                            
CONECT    8    5    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9   18   21                                            
CONECT   12    7   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14    7                                                 
CONECT   16   13                                                      
CONECT   17    4                                                      
CONECT   18   11   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   11                                                 
CONECT   22   20   29   33                                            
CONECT   23   18   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   22   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   22                                                 
CONECT   34   35   36   37    2                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END

$$$$

$$$$

$$$$
D0T4SV
  -OEChem-09301911292D

 57 62  0     1  0  0  0  0  0999 V2000
    4.3158   -1.0679    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9186   -1.2867    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1374   -2.6839    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4009    3.6460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1252    1.6393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2133   -0.4025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4834   -3.7758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1329    3.6393    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8727    5.6326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7969    0.4022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0726   -2.9678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1368    4.6393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6401    5.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1368    4.6431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0047    5.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2650    3.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2611    2.1426    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3932    1.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4752    0.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4752   -0.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6091   -1.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6091    0.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7431   -0.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3852    0.6044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7431    0.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4911    2.1668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5931    1.6390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7969   -1.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4862   -2.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5346   -2.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5329   -3.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7266   -1.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7229   -4.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8100   -3.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8257   -5.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0156   -5.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1028   -5.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1166    5.9039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1667    5.9076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5550    4.8574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0268    4.0329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6687    3.3272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7993    2.4505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6872   -1.4851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0857   -0.7948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2106   -1.8774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0077   -1.8774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9185    0.2882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4887    2.7868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0526    1.9428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6634    1.9472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7463   -3.0265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3916   -5.2993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4340   -3.9764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0794   -6.2493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6006   -5.5878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 32  1  0  0  0  0
  3 32  1  0  0  0  0
  4 16  2  0  0  0  0
  5 17  1  0  0  0  0
  5 52  1  0  0  0  0
  6 10  1  0  0  0  0
  6 28  1  0  0  0  0
  7 11  1  0  0  0  0
  7 31  1  0  0  0  0
  8 12  1  0  0  0  0
  8 16  1  0  0  0  0
  8 43  1  0  0  0  0
  9 15  3  0  0  0  0
 10 25  2  0  0  0  0
 11 29  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 44  1  0  0  0  0
 18 24  2  0  0  0  0
 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 23  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 25  1  0  0  0  0
 22 27  1  0  0  0  0
 23 25  1  0  0  0  0
 23 28  2  0  0  0  0
 24 49  1  0  0  0  0
 26 27  2  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 53  1  0  0  0  0
 35 37  2  0  0  0  0
 35 54  1  0  0  0  0
 36 38  2  0  0  0  0
 36 55  1  0  0  0  0
 37 38  1  0  0  0  0
 37 56  1  0  0  0  0
 38 57  1  0  0  0  0
M  END

$$$$
D0T5AF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.072  -0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.072  -1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.357  -1.856   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.357  -1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.357  -0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.357  -0.206   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.072  -1.856   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.786  -1.444   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       2.501  -1.856   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       3.215  -1.444   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.215  -0.619   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.501  -0.206   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.786  -0.619   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1       2.501   0.619   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       3.930  -0.206   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       4.644  -0.619   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       3.930   0.619   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.786   1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.072   0.619   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.072  -0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.357   1.031   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.786   1.856   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.357   0.619   0.000  1.00  0.00           C  
HETATM   24  S   UNL     1      -1.072   1.031   0.000  1.00  0.00           S  
HETATM   25  C   UNL     1      -1.786   0.619   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.484   1.746   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.659   1.746   0.000  1.00  0.00           O  
HETATM   28  N   UNL     1      -1.786  -0.206   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.501  -0.619   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.215  -0.206   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.501  -1.444   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.930  -0.619   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1      -4.644  -1.031   0.000  1.00  0.00           N  
CONECT    1    2    6   28                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   23                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13   14                                            
CONECT   13   12    8                                                 
CONECT   14   12   18                                                 
CONECT   15   11   16   17                                            
CONECT   16   15                                                      
CONECT   17   15                                                      
CONECT   18   14   19   22                                            
CONECT   19   18   20   21                                            
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   18                                                      
CONECT   23    6   24                                                 
CONECT   24   23   25   26   27                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
CONECT   28    1   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29   32                                                 
CONECT   31   29                                                      
CONECT   32   30   33                                                 
CONECT   33   32                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0T5ER
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.525   0.014   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.189   0.427   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.904   0.014   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.904  -0.811   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.189  -1.223   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.525  -0.811   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -1.618   0.427   0.000  1.00  0.00          Cl  
HETATM    8  C   UNL     1       1.170  -1.325   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.975  -1.142   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       2.333  -0.398   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.975   0.345   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.170   0.528   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.618  -1.223   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.333  -0.811   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.957   1.325   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   13                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    3                                                      
CONECT    8    6    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    1   15                                            
CONECT   13    4   14                                                 
CONECT   14   13                                                      
CONECT   15   12                                                      
MASTER        0    0    0    0    0    0    0    0   15    0   15    0
END
M  END

$$$$
D0T5OF
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.208  -0.597   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.525  -0.219   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.219  -0.665   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.953  -0.287   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1       0.565   0.605   0.000  1.00  0.00           O  
HETATM    6  N   UNL     1       2.689  -0.658   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1       3.270  -0.072   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.892   0.661   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.078   0.528   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.822  -1.472   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.184  -1.994   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.316  -2.809   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.088  -3.101   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.727  -2.579   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.594  -1.764   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.922  -0.184   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.184   1.433   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.492   1.109   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.999   1.566   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       4.291   2.337   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       3.768   2.976   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.954   2.843   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.662   2.072   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.061   3.748   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.009   0.636   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.816   0.808   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.228   0.093   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.676  -0.520   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.228   1.522   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.053   1.522   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.466   2.237   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.291   2.237   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.848  -1.327   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.632  -1.582   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.804  -2.389   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.191  -2.941   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.406  -2.686   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.235  -1.879   0.000  1.00  0.00           C  
HETATM   39  F   UNL     1      -3.588  -2.643   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1      -2.362  -3.748   0.000  1.00  0.00           F  
CONECT    1    2   16                                                 
CONECT    2    1    3    5                                            
CONECT    3    2    4                                                 
CONECT    4    3    6    9                                            
CONECT    5    2                                                      
CONECT    6    4    7   10                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   17                                            
CONECT    9    8    4   18                                            
CONECT   10    6   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    1   25   28                                            
CONECT   17    8   19   23                                            
CONECT   18    9                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   17                                                 
CONECT   24   21                                                      
CONECT   25   16   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   16   33                                            
CONECT   29   26   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31                                                      
CONECT   33   28   34   38                                            
CONECT   34   33   35                                                 
CONECT   35   34   36   39                                            
CONECT   36   35   37   40                                            
CONECT   37   36   38                                                 
CONECT   38   37   33                                                 
CONECT   39   35                                                      
CONECT   40   36                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0T5WX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.357  -0.468   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.357  -1.293   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.357  -1.705   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.072  -1.293   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.072  -0.468   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.357  -0.055   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.357   0.770   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.072   1.182   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.072  -0.055   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.786  -0.468   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.072   0.770   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.786   1.182   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.786  -1.705   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.501   0.770   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.786   2.007   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.825   0.847   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       2.377   1.460   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.965   2.174   0.000  1.00  0.00           C  
HETATM   19  S   UNL     1       1.158   2.003   0.000  1.00  0.00           S  
HETATM   20  C   UNL     1      -2.501  -0.055   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.215  -0.468   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.215  -1.293   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.501  -1.705   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.786  -1.293   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.786  -2.530   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.501  -2.943   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.215  -2.530   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.215  -1.705   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.501  -1.293   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.072  -2.943   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       1.072  -3.768   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       0.357  -2.530   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       2.178   2.971   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.762   3.554   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.965   3.768   0.000  1.00  0.00           C  
CONECT    1    2    6    9                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7   16   19                                            
CONECT    9    1   10   11                                            
CONECT   10    9   20   24                                            
CONECT   11    9   12                                                 
CONECT   12   11   14   15                                            
CONECT   13    4   25   29                                            
CONECT   14   12                                                      
CONECT   15   12                                                      
CONECT   16    8   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   33                                            
CONECT   19   18    8                                                 
CONECT   20   10   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   10                                                 
CONECT   25   13   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   13                                                 
CONECT   30   25   31   32                                            
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   18   34   35                                            
CONECT   34   33   35                                                 
CONECT   35   34   33                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0T6CM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.923   0.206   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.923  -0.619   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.209  -1.031   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.506  -0.619   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.506   0.206   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.209   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.290  -0.874   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.775  -0.206   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.290   0.461   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.545  -1.658   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.209   1.444   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.993  -2.271   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.352  -1.830   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.923   1.856   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.923   2.681   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.209   3.094   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.209   3.919   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.923   4.331   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.638   3.919   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.638   3.094   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.638  -1.031   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.638  -1.856   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.352  -2.269   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.352  -3.094   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.638  -3.506   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.923  -3.094   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.923  -2.269   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.638  -4.331   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       0.506   2.681   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       0.592   1.861   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.399   1.689   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       1.811   2.404   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       1.259   3.017   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   21                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    7   12   13                                            
CONECT   11    6   14                                                 
CONECT   12   10                                                      
CONECT   13   10                                                      
CONECT   14   11   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17   29                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21    2   22                                                 
CONECT   22   23   27   21                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   25                                                      
CONECT   29   16   30   33                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   29                                                 
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0T6CY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.337  -0.113   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.337  -0.938   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.623  -1.350   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.908  -0.938   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.908  -0.113   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.623   0.300   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.124  -1.193   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1       0.361  -0.525   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.124   0.142   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.623   1.125   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.131  -1.977   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.131   0.927   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.354  -2.645   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.131  -3.312   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.916  -3.057   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.916  -2.232   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.916   1.182   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.916   2.007   0.000  1.00  0.00           C  
HETATM   19  S   UNL     1       0.131   2.262   0.000  1.00  0.00           S  
HETATM   20  C   UNL     1      -0.354   1.594   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.583   2.492   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.497   3.312   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1       2.337   2.156   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   12                                            
CONECT   10    6                                                      
CONECT   11    7   13   16                                            
CONECT   12    9   17   20                                            
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   12   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   12                                                 
CONECT   21   18   22   23                                            
CONECT   22   21                                                      
CONECT   23   21                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0T6IZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.354  -0.898   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.354  -1.723   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.069  -2.136   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.783  -1.723   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.783  -0.898   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.069  -0.486   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.568  -1.978   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       3.053  -1.311   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.568  -0.643   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.823   0.141   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.607   0.396   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       3.607   1.221   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       2.823   1.476   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.338   0.809   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.360  -0.486   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.360   0.339   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.075   0.752   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.789   0.339   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.789  -0.486   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.075  -0.898   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.503   0.752   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       4.275   1.706   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.442   1.575   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.047   2.136   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.862   2.013   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.275   1.298   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.974   0.530   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.185   0.287   0.000  1.00  0.00           C  
CONECT    1    2    6   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   22                                            
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15    1   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   23   28                                            
CONECT   22   12                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   21                                                 
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0T6SD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.158   1.016   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.158   0.191   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.443  -0.221   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.271   0.191   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.271   1.016   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.443   1.429   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.056  -0.064   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.541   0.604   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.056   1.271   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -0.443   2.254   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1       2.366   0.604   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.778  -0.111   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.603  -0.111   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.016   0.604   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.603   1.318   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.778   1.318   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       4.016  -0.825   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.311   2.056   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.108   2.269   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.905   2.483   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.701   2.696   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.872   1.429   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.587   1.016   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.301   1.429   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.016   1.016   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.016   0.191   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.301  -0.221   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.587   0.191   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.872  -0.221   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -0.443  -1.046   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.271  -1.459   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.271  -2.284   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       0.986  -2.696   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1       1.700  -2.284   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.700  -1.459   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       0.986  -1.046   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.443  -2.695   0.000  1.00  0.00           C  
HETATM   38  N   UNL     1      -1.268  -2.695   0.000  1.00  0.00           N  
HETATM   39  C   UNL     1      -3.302   2.255   0.000  1.00  0.00           C  
HETATM   40  N   UNL     1      -2.477   2.255   0.000  1.00  0.00           N  
CONECT    1    2    6   22                                            
CONECT    2    1    3   29                                            
CONECT    3    2    4   30                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8    5   18                                            
CONECT   10    6                                                      
CONECT   11    8   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   13                                                      
CONECT   18    9   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20                                                      
CONECT   22    1   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25   39                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29    2                                                      
CONECT   30    3   31                                                 
CONECT   31   30   32   36                                            
CONECT   32   31   33   37                                            
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
CONECT   37   32   38                                                 
CONECT   38   37                                                      
CONECT   39   24   40                                                 
CONECT   40   39                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0T6SP
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.598   1.511   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.598   0.686   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.883   0.273   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.169   0.686   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.169   1.511   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.883   1.923   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.454   0.273   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.740   0.686   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.454  -0.552   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.025   0.273   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.689   0.686   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.689   1.511   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.025   1.923   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.740   1.511   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.474   0.431   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.959   1.098   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.474   1.766   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.729  -0.354   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.784   1.098   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.177  -0.967   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.432  -1.752   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.239  -1.923   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.791  -1.310   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.536  -0.525   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.598  -1.482   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   10   14                                            
CONECT    9    7                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13    8                                                 
CONECT   15   11   16   18                                            
CONECT   16   15   17   19                                            
CONECT   17   16   12                                                 
CONECT   18   15   20   24                                            
CONECT   19   16                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   18                                                 
CONECT   25   23                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0T6UX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.956  -1.995   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.544  -2.709   0.000  1.00  0.00           C  
HETATM    3  S   UNL     1      -4.737  -2.538   0.000  1.00  0.00           S  
HETATM    4  C   UNL     1      -4.650  -1.717   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -5.404  -1.382   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -6.781  -1.995   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.936  -1.305   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.221  -1.717   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.507  -1.305   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.793  -1.717   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.078  -1.305   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.078  -0.480   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.793  -0.067   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.507  -0.480   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.364  -0.067   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.351  -0.480   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.065  -0.067   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.065   0.758   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.351   1.170   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.364   0.758   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.780  -0.480   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.494  -0.067   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.494   0.758   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.780   1.170   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.209   1.170   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       3.923   0.758   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       4.638   1.170   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.352   0.758   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       6.067   1.170   0.000  1.00  0.00           C  
HETATM   30  S   UNL     1       6.067   1.995   0.000  1.00  0.00           S  
HETATM   31  C   UNL     1       5.352   2.408   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.638   1.995   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       6.479   2.709   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1       6.781   1.583   0.000  1.00  0.00           O  
HETATM   35  O   UNL     1      -1.793   0.758   0.000  1.00  0.00           O  
CONECT    1    2    5    6                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    1                                                 
CONECT    6    1                                                      
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14   35                                            
CONECT   14   13    9                                                 
CONECT   15   12   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   21                                            
CONECT   18   17   19   24                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   17   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   18                                                 
CONECT   25   23   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33   34                                       
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   30                                                      
CONECT   34   30                                                      
CONECT   35   13                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0T7BE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143   2.474   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143   1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429   1.237   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.714   1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.714   2.474   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429   2.887   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.000   1.237   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.714   1.650   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.429   1.237   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.143   0.000   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.857   0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.857   1.237   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       2.143   1.650   0.000  1.00  0.00           N  
HETATM   15 CL   UNL     1       3.571   1.650   0.000  1.00  0.00          Cl  
HETATM   16  N   UNL     1      -2.857   1.237   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.857   0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.143   0.000   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.571   0.000   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.143  -0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.429  -1.237   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.714  -0.825   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.714   0.000   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.429   0.412   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.429  -2.062   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1      -1.429  -2.887   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1      -2.143  -2.474   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -0.714  -2.474   0.000  1.00  0.00           F  
HETATM   29  C   UNL     1       0.000   0.412   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   16                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   29                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13    9                                                 
CONECT   15   13                                                      
CONECT   16    2   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   20   24                                            
CONECT   19   17                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   18                                                 
CONECT   25   21   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
CONECT   29    7                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0T7HK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.380  -1.391   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.284  -1.880   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.040  -1.549   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       1.131  -0.730   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.467  -0.240   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.289  -0.571   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.887  -0.399   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.956  -1.669   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.610  -1.167   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.290  -1.634   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -5.056  -2.425   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.231  -2.447   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.675  -0.344   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.420   0.011   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.100  -0.457   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.035  -1.279   0.000  1.00  0.00           C  
HETATM   17  H   UNL     1      -5.449  -3.150   0.000  1.00  0.00           H  
HETATM   18  C   UNL     1       2.552  -0.888   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.307  -0.557   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.399   0.263   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.734   0.752   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.979   0.421   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       4.113   0.675   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       4.828   0.263   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.542   0.675   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       5.542   1.500   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.828   1.913   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.113   1.500   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       6.257   1.913   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       6.257   2.738   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.542   3.150   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.828   2.738   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       3.399   1.913   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1      -1.136  -1.722   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.850  -1.309   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.565  -1.722   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.279  -1.309   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.432   0.825   0.000  1.00  0.00           C  
HETATM   39  N   UNL     1      -6.257   0.825   0.000  1.00  0.00           N  
CONECT    1    2    6   34                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4   18   22                                            
CONECT    8    9   12   37                                            
CONECT    9    8   10   13                                            
CONECT   10    9   11   16                                            
CONECT   11   10   12   17                                            
CONECT   12   11    8                                                 
CONECT   13    9   14                                                 
CONECT   14   13   15   38                                            
CONECT   15   14   16                                                 
CONECT   16   15   10                                                 
CONECT   17   11                                                      
CONECT   18    7   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21    7                                                 
CONECT   23   20   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28   32                                            
CONECT   28   27   23   33                                            
CONECT   29   26   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   28                                                      
CONECT   34    1   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36    8                                                 
CONECT   38   14   39                                                 
CONECT   39   38                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0T7OQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.165   0.606   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.165  -0.219   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.451  -0.631   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.264  -0.219   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.264   0.606   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.451   1.018   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.048  -0.474   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.533   0.194   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.048   0.861   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       1.303   1.646   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       2.358   0.194   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.771  -0.521   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.596  -0.521   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.008   0.194   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.596   0.908   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.771   0.908   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.879  -0.631   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.633  -0.296   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.185  -0.909   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.773  -1.623   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1      -1.966  -1.452   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.008  -0.821   0.000  1.00  0.00           C  
HETATM   23  F   UNL     1      -4.008   0.004   0.000  1.00  0.00           F  
HETATM   24  F   UNL     1      -3.183  -0.821   0.000  1.00  0.00           F  
HETATM   25  F   UNL     1      -4.008  -1.646   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   17                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8    5   10                                            
CONECT   10    9                                                      
CONECT   11    8   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    2   18   21                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   17                                                 
CONECT   22   19   23   24   25                                       
CONECT   23   22                                                      
CONECT   24   22                                                      
CONECT   25   22                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0T7QY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.559   0.080   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.473  -0.741   0.000  1.00  0.00           N  
HETATM    3  N   UNL     1      -0.666  -0.912   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.253  -0.198   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.805   0.416   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.086  -1.292   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.870  -1.038   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.484  -1.590   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.312  -2.397   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.527  -2.651   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.914  -2.099   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -1.130  -2.354   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1       0.567  -0.111   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.119  -0.724   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.273   0.492   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.273   1.317   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.988   1.730   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.703   1.317   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.703   0.492   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.988   0.080   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1      -4.417   1.730   0.000  1.00  0.00          Cl  
HETATM   22  O   UNL     1       0.863   0.659   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.944  -0.724   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.634   1.223   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.046   1.937   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.871   1.937   0.000  1.00  0.00           O  
HETATM   27  N   UNL     1      -0.634   2.651   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       2.357  -0.010   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.182  -0.010   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.594   0.705   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.182   1.419   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.357   1.419   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.944   0.705   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.592   2.134   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1       4.417   2.134   0.000  1.00  0.00           N  
CONECT    1    2    5   15                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    1   24                                            
CONECT    6    2    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    6   12                                            
CONECT   12   11                                                      
CONECT   13    4   14   22                                            
CONECT   14   13   23                                                 
CONECT   15    1   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18                                                      
CONECT   22   13                                                      
CONECT   23   14   28                                                 
CONECT   24    5   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   23   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34   31   35                                                 
CONECT   35   34                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0T7WW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.430   0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.430   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.716  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.001   0.000   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.001   0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.716   1.238   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.287  -0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.572   0.000   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.858  -0.412   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.143   0.000   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.715   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.715   0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.429   1.238   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.143   0.825   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.000   1.238   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.715   0.825   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       0.715   0.000   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.429   1.238   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       2.143   0.825   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.858   1.238   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.572   0.825   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       3.572   0.000   0.000  1.00  0.00           O  
HETATM   24  N   UNL     1       4.287   1.238   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       5.001   0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       5.001   0.000   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       5.716  -0.412   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       6.430   0.000   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       6.430   0.825   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.716   1.238   0.000  1.00  0.00           C  
HETATM   31 BR   UNL     1       5.716  -1.238   0.000  1.00  0.00          Br  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
CONECT   31   27                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0T8AS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.218   1.702   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.218   0.879   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.506   0.469   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.206   0.879   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.206   1.702   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.506   2.113   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.930   2.113   0.000  1.00  0.00           O  
HETATM    8 CL   UNL     1      -0.506   2.935   0.000  1.00  0.00          Cl  
HETATM    9  C   UNL     1       0.918   0.469   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.918  -0.354   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.630  -0.765   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.342  -0.354   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       2.342   0.469   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.630   0.879   0.000  1.00  0.00           N  
HETATM   15  N   UNL     1       1.630  -1.590   0.000  1.00  0.00           N  
HETATM   16  S   UNL     1       0.916  -2.002   0.000  1.00  0.00           S  
HETATM   17  C   UNL     1       0.201  -2.415   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.328  -2.717   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       0.503  -1.288   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.513  -2.002   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.228  -2.415   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.228  -3.240   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.513  -3.652   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.201  -3.240   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.930   2.938   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.517   3.652   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.342   3.652   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    1   25                                                 
CONECT    8    6                                                      
CONECT    9    4   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17   18   19                                       
CONECT   17   16   20   24                                            
CONECT   18   16                                                      
CONECT   19   16                                                      
CONECT   20   17   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   17                                                 
CONECT   25    7   26   27                                            
CONECT   26   25   27                                                 
CONECT   27   26   25                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0T8BO
  -OEChem-09301911172D

 49 53  0     0  0  0  0  0  0999 V2000
    8.7628   -6.1224    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9511    3.9618    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5063   -5.1425    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5851    0.9320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3171    0.9320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655   -3.1026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9831   -1.5888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6678    2.8094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3107    4.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5998    5.6610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1831   -0.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3171   -0.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1831   -1.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4511   -0.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0771   -2.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3171   -2.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4511   -1.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0771   -0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5851   -0.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4511    2.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4511    1.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9831   -0.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464    3.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9570    3.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9257   -3.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2558    3.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892    4.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9141   -4.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7974   -3.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7743   -5.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6576   -3.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6461   -4.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3171   -2.6880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9142   -1.8780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8540    1.2420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0699    0.5866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8951    0.4689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0481    0.2420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2751   -0.6049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -3.4064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5189   -0.2351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8451    2.8230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3736   -4.9163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8046   -2.5027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1981   -3.3288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933    3.4258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1858    6.1224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2065    5.7888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2 24  1  0  0  0  0
  2 26  1  0  0  0  0
  3 33  1  0  0  0  0
  4 21  2  0  0  0  0
  5 12  1  0  0  0  0
  5 21  1  0  0  0  0
  5 36  1  0  0  0  0
  6 15  1  0  0  0  0
  6 25  1  0  0  0  0
  6 41  1  0  0  0  0
  7 15  2  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 32  2  0  0  0  0
  9 27  2  0  0  0  0
  9 32  1  0  0  0  0
 10 27  1  0  0  0  0
 10 48  1  0  0  0  0
 10 49  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 18  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 22  2  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 20 26  2  0  0  0  0
 22 42  1  0  0  0  0
 23 24  2  0  0  0  0
 24 27  1  0  0  0  0
 25 28  2  0  0  0  0
 25 29  1  0  0  0  0
 26 43  1  0  0  0  0
 28 30  1  0  0  0  0
 28 44  1  0  0  0  0
 29 31  2  0  0  0  0
 29 45  1  0  0  0  0
 30 33  2  0  0  0  0
 31 33  1  0  0  0  0
 31 46  1  0  0  0  0
 32 47  1  0  0  0  0
M  END

$$$$
D0T8DH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.677   1.107   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.677   0.282   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.037  -0.130   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.752   0.282   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.752   1.107   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.037   1.520   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.462   1.362   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.947   0.695   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.462   0.027   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.466   1.520   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.220   1.184   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.772   1.797   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1       2.359   2.512   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.552   2.340   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.391   0.377   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.939   2.892   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.037  -0.955   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.772   0.695   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.630  -1.440   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.375  -2.225   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1       0.450  -2.225   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       0.705  -1.440   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.489  -1.185   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.717  -0.757   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.860  -2.892   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.415  -1.185   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   17                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9   18                                            
CONECT    9    8    2   24                                            
CONECT   10    5   11   14                                            
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10   16                                            
CONECT   15   11                                                      
CONECT   16   14                                                      
CONECT   17    3   19   22                                            
CONECT   18    8                                                      
CONECT   19   17   20   26                                            
CONECT   20   19   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   17   23                                            
CONECT   23   22                                                      
CONECT   24    9                                                      
CONECT   25   20                                                      
CONECT   26   19                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0T8FV
  -OEChem-09301911122D

 61 63  0     0  0  0  0  0  0999 V2000
    2.8660   -6.1160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.8840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.3840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4641    6.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4641    4.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4641    6.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4641    4.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0718    5.8606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3815    5.4620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    4.4666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    3.7763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    3.7763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    4.4666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5841    5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    2.9916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    2.3014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    2.3014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    2.9916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5718    6.7266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8815    6.3281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8815    4.1719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5718    3.7734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3441    5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4641    5.4960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0841    6.1160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4641    6.7360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4641    3.7640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0841    4.3840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4641    5.0040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.1940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.3060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.3060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.3060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.3060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2  7  1  0  0  0  0
  2 46  1  0  0  0  0
  3 16  2  0  0  0  0
  4 22  1  0  0  0  0
  4 25  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 16  1  0  0  0  0
  6 16  1  0  0  0  0
  6 19  1  0  0  0  0
  6 53  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 12  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 13  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 17  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 18  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 54  1  0  0  0  0
 21 23  2  0  0  0  0
 21 55  1  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 23 56  1  0  0  0  0
 24 57  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 58  1  0  0  0  0
 27 29  2  0  0  0  0
 27 59  1  0  0  0  0
 28 30  2  0  0  0  0
 28 60  1  0  0  0  0
 29 30  1  0  0  0  0
 29 61  1  0  0  0  0
M  END

$$$$
D0T8MJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -2.062   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.786  -2.475   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.072  -2.062   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.072  -1.238   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.786  -0.825   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.287  -2.317   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.198  -1.650   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.287  -0.983   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.215  -2.475   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.786   0.000   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.072   0.412   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.072   1.238   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.786   1.650   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.501   1.238   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.501   0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.357   1.650   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.357   1.238   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.357   0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.072   0.000   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.786   0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.786   1.238   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.072   1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.501   1.650   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       2.501   0.000   0.000  1.00  0.00           O  
HETATM   26  F   UNL     1      -3.215   1.650   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1      -2.501   2.062   0.000  1.00  0.00           F  
HETATM   28  O   UNL     1      -0.357   2.475   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       3.215   0.412   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    2                                                      
CONECT   11    6   16   12                                            
CONECT   12   13   11                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   26   27                                       
CONECT   16   15   11                                                 
CONECT   17   13   18   28                                            
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23   24                                            
CONECT   23   22   18                                                 
CONECT   24   22                                                      
CONECT   25   21   29                                                 
CONECT   26   15                                                      
CONECT   27   15                                                      
CONECT   28   17                                                      
CONECT   29   25                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0T8PK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.924  -1.770   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.924  -2.595   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.209  -3.007   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.495  -2.595   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.495  -1.770   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.209  -1.357   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.710  -2.850   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.225  -2.182   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.710  -1.515   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.455  -0.730   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -1.007  -0.117   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.752   0.667   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.304   1.280   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.050   2.065   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.243   2.237   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.012   3.021   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.540   3.634   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.347   3.463   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.602   2.678   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.600  -2.182   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.085  -2.850   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.869  -2.595   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.869  -1.770   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.085  -1.515   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.482  -1.218   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.311  -0.411   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.526  -0.156   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.913  -0.708   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       0.830  -3.634   0.000  1.00  0.00           O  
HETATM   30 BR   UNL     1       2.924   0.141   0.000  1.00  0.00          Br  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   20                                            
CONECT    9    8    5   10                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20    8   21   24                                            
CONECT   21   20   22   29                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   20   28                                            
CONECT   25   23   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   24                                                 
CONECT   29   21                                                      
CONECT   30   26                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0T8QL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.572  -1.079   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.572  -1.904   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.858  -2.317   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.143  -1.904   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.143  -1.079   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.858  -0.667   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -4.287  -2.317   0.000  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -1.429  -0.667   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.858   0.158   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.143   0.571   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -3.572   0.571   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.143   1.396   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.429  -2.317   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.429  -3.142   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.715  -1.904   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.000  -2.317   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.715  -1.904   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.715  -1.079   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.000  -0.667   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.715  -1.079   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       1.429  -0.667   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       2.143  -1.079   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.429   0.158   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.715  -3.554   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.858  -0.667   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.572  -1.079   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.287  -0.667   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.287   0.158   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.572   0.571   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.858   0.158   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.429   1.808   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.675   1.473   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1      -0.123   2.086   0.000  1.00  0.00           N  
HETATM   34  N   UNL     1      -0.536   2.800   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1      -1.343   2.629   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.200   3.554   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.956   3.181   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1      -0.504   0.666   0.000  1.00  0.00           O  
HETATM   39  O   UNL     1       2.143   0.571   0.000  1.00  0.00           O  
HETATM   40  C   UNL     1       2.143   1.396   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1    9                                            
CONECT    7    2                                                      
CONECT    8    5                                                      
CONECT    9    6   10   11                                            
CONECT   10    9   12                                                 
CONECT   11    9                                                      
CONECT   12   10   31                                                 
CONECT   13    4   14   15                                            
CONECT   14   13   24                                                 
CONECT   15   13   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22   23                                            
CONECT   22   21   25                                                 
CONECT   23   21                                                      
CONECT   24   14                                                      
CONECT   25   22   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25   39                                            
CONECT   31   12   32   35                                            
CONECT   32   31   33   38                                            
CONECT   33   32   34                                                 
CONECT   34   33   35   36                                            
CONECT   35   34   31   37                                            
CONECT   36   34                                                      
CONECT   37   35                                                      
CONECT   38   32                                                      
CONECT   39   30   40                                                 
CONECT   40   39                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0T8VE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.043   2.142   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.459   1.429   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.049   0.713   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.224   0.709   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.809   1.422   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.218   2.138   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.815  -0.007   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.990  -0.010   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.230  -0.720   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.055  -0.716   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.471  -1.429   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.061  -2.145   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.236  -2.149   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.821  -1.436   0.000  1.00  0.00           C  
HETATM   15 CL   UNL     1      -3.453   2.858   0.000  1.00  0.00          Cl  
HETATM   16 CL   UNL     1      -3.477  -2.858   0.000  1.00  0.00          Cl  
HETATM   17  C   UNL     1      -0.409  -0.596   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.177  -0.010   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.409   0.575   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.002  -0.010   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.414   0.704   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1       1.643  -0.295   0.000  1.00  0.00           S  
HETATM   23  C   UNL     1       2.239   0.704   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.652   1.419   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.239   2.133   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.414   2.133   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.002   1.419   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1       1.002   2.848   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1       3.477   1.419   0.000  1.00  0.00           F  
HETATM   30  C   UNL     1       2.131   0.370   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       1.554  -1.115   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       2.309  -0.783   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -0.616  -1.365   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1      -1.441  -1.365   0.000  1.00  0.00           O  
HETATM   35  O   UNL     1      -0.203  -2.079   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1       1.034  -1.365   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       0.622  -2.079   0.000  1.00  0.00           C  
CONECT    1    2    6   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   17   19                                            
CONECT    9    7   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    1                                                      
CONECT   16   12                                                      
CONECT   17    8   18   33                                            
CONECT   18   17   19   20                                            
CONECT   19   18    8                                                 
CONECT   20   18   21   22                                            
CONECT   21   20   23   27                                            
CONECT   22   20   30   31   32                                       
CONECT   23   21   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   21                                                 
CONECT   28   26                                                      
CONECT   29   24                                                      
CONECT   30   22                                                      
CONECT   31   22                                                      
CONECT   32   22                                                      
CONECT   33   17   34   35                                            
CONECT   34   33                                                      
CONECT   35   33   37                                                 
CONECT   36   37                                                      
CONECT   37   35   36                                                 
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0T8WU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.841  -0.996   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.841  -1.821   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.127  -2.234   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.412  -1.821   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.412  -0.996   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.127  -0.584   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       0.302  -2.234   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.016  -1.821   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.016  -0.996   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.302  -0.584   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.556  -2.234   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.298   0.223   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.119   0.309   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -2.455  -0.444   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.746   0.836   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.061   0.665   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.613   1.278   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.358   2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.449   2.234   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.001   1.621   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.808   1.792   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.731  -0.584   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.556  -0.584   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.143   0.131   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.420   1.106   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.674   0.322   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.972   1.719   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       2.216   0.893   0.000  1.00  0.00           O  
CONECT    1    2    6   14                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   12                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   22                                            
CONECT   10    9    5                                                 
CONECT   11    2                                                      
CONECT   12    6   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    1                                                 
CONECT   15   12   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18   25                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
CONECT   22    9   23   24                                            
CONECT   23   22   24                                                 
CONECT   24   23   22                                                 
CONECT   25   17   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0T8XD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.944   0.461   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.944  -0.364   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.230  -0.777   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.515  -0.364   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.515   0.461   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.230   0.873   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -3.230  -1.602   0.000  1.00  0.00           F  
HETATM    8  C   UNL     1      -1.801   0.873   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.086   0.461   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.801   1.698   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.086   2.111   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.372   1.698   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       0.343   2.111   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.343   2.936   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.372   3.348   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.086   2.936   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.127   1.856   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.612   2.523   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       1.127   3.191   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.382   1.071   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.830   0.458   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.085  -0.326   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.892  -0.498   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.444   0.115   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.189   0.900   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.147  -1.283   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       2.954  -1.454   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.209  -2.239   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.834  -2.974   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.570  -3.348   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       3.944  -2.613   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    3                                                      
CONECT    8    5    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   13   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   28                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0T8YT
  -OEChem-09301911212D

 46 48  0     1  0  0  0  0  0999 V2000
    3.5288    2.1189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5855   -1.8466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1843   -0.8286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2230    1.7588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122   -3.5022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032   -4.0900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6878    3.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5265    3.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1432    4.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0151    0.7806    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9818    4.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1016    0.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6843    0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2061   -0.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4799    2.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5910   -1.7421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0032   -2.5511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0032   -2.5511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -3.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -3.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5352   -4.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0782    3.2930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5333    1.1708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8642    3.4307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0465    4.2884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8055    4.7647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6232    3.9070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5018    5.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6442    5.3093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9100    0.9635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    0.2450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1859   -0.3270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0991    0.4982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5861   -0.6206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413   -1.2372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8127    1.9504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6388   -2.0495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8721   -3.2048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032   -4.7100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9288   -4.6604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4063   -5.3958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -4.9182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149   -2.6813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5392   -2.7272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851   -3.6028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 16  2  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  3 16  1  0  0  0  0
  4 10  1  0  0  0  0
  4 15  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  2  0  0  0  0
  6 19  1  0  0  0  0
  6 40  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 23  1  0  0  0  0
  8 11  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 24  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 14  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 39  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
M  END

$$$$
D0T9IR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.543  -0.139   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.543  -0.964   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.828  -1.376   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.114  -0.964   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.114  -0.139   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.828   0.274   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.156  -1.516   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.820  -2.269   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.000  -2.183   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.399  -1.376   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.399  -2.201   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1       0.315  -0.964   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.030  -1.376   0.000  1.00  0.00           C  
HETATM   14  S   UNL     1       1.116  -2.197   0.000  1.00  0.00           S  
HETATM   15  C   UNL     1       1.923  -2.368   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.335  -1.654   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.783  -1.041   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       3.156  -1.568   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.828   1.099   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.161   1.584   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1      -1.416   2.368   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.241   2.368   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.496   1.584   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.376   1.329   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   19                                            
CONECT    7    2    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    3                                                 
CONECT   10    4   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   13                                                 
CONECT   18   16                                                      
CONECT   19    6   20   23                                            
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   19                                                 
CONECT   24   20                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0T9JA
  -OEChem-09301911132D

 53 57  0     0  0  0  0  0  0999 V2000
    4.9704   -3.2738    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8714   -2.6525    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3201    5.1956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.6437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4283    4.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    3.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5365    4.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8807    3.8514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    2.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9758    5.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.8389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -0.3178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -0.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103   -2.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -1.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318   -1.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209   -2.9631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2316   -3.9137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5637   -4.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101   -4.1199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8744   -5.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5208   -5.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8529   -5.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4597    2.9954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2560    4.8436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9836    4.0102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1612    3.2985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4336    4.1319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5287    5.9155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6953    6.1879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4229    5.3544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3536    5.8147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.4537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815    0.1437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7144   -0.7280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.6663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8848   -1.3962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2177   -2.2679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9571   -4.5301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6242   -3.6584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4603   -6.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1274   -5.1983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0455   -6.4040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 25  1  0  0  0  0
  3  8  1  0  0  0  0
  3 40  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  4 16  1  0  0  0  0
  5 12  2  0  0  0  0
  5 15  1  0  0  0  0
  6 17  2  0  0  0  0
  6 19  1  0  0  0  0
  7 17  1  0  0  0  0
  7 45  1  0  0  0  0
  7 46  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 41  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 42  1  0  0  0  0
 20 23  1  0  0  0  0
 20 43  1  0  0  0  0
 21 24  2  0  0  0  0
 21 44  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 49  1  0  0  0  0
 28 30  2  0  0  0  0
 28 50  1  0  0  0  0
 29 31  2  0  0  0  0
 29 51  1  0  0  0  0
 30 31  1  0  0  0  0
 30 52  1  0  0  0  0
 31 53  1  0  0  0  0
M  END

$$$$
D0T9JB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -7.373  -1.820   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.373  -2.645   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.658  -3.058   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.944  -2.645   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.944  -1.820   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.658  -1.408   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.229  -3.058   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.515  -2.645   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.515  -1.820   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.229  -1.408   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.800  -3.058   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.086  -2.645   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.086  -1.820   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.800  -1.408   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.229  -0.583   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.515  -0.170   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.800  -0.583   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.086  -0.170   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.332  -0.506   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.780   0.107   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.192   0.822   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1      -2.999   0.650   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.955   0.107   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.542   0.822   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       3.232   0.724   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       3.815   1.308   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.612   1.094   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.195   1.677   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.982   2.474   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.185   2.688   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.602   2.105   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       5.992   1.464   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       6.576   2.047   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       6.362   2.844   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       5.565   3.058   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1       7.373   1.834   0.000  1.00  0.00           O  
HETATM   37  O   UNL     1      -0.951   1.534   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1      -0.540   0.822   0.000  1.00  0.00           C  
HETATM   39  O   UNL     1      -0.951   0.110   0.000  1.00  0.00           O  
HETATM   40  C   UNL     1       0.282   0.822   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       0.694   0.110   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       1.516   0.110   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10   14                                            
CONECT   10    9    5   15                                            
CONECT   11    8   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15   10   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   18                                                 
CONECT   23   20   24                                                 
CONECT   24   37   23                                                 
CONECT   25   42   26                                                 
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29   32                                            
CONECT   29   28   30   35                                            
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   28   33                                                 
CONECT   33   32   34   36                                            
CONECT   34   33   35                                                 
CONECT   35   34   29                                                 
CONECT   36   33                                                      
CONECT   37   38   24                                                 
CONECT   38   39   40   37                                            
CONECT   39   38                                                      
CONECT   40   41   38                                                 
CONECT   41   42   40                                                 
CONECT   42   41   25                                                 
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
M  END

$$$$
D0T9OL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.845   0.135   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.257  -0.580   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.464  -0.353   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.666  -0.580   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.254   0.135   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.047  -0.092   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.845   0.960   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.254   0.960   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.123   1.270   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.473   0.693   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.539  -0.278   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.175   0.135   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.890  -0.278   0.000  1.00  0.00           N  
HETATM   14  O   UNL     1       0.175   0.960   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       0.976  -1.099   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.783  -1.270   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.196  -0.556   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.643   0.058   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.002  -0.384   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.257   0.401   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.705   1.014   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.899   0.842   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   10                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    8   11                                       
CONECT    6    5    1                                                 
CONECT    7    1    9                                                 
CONECT    8    5    9                                                 
CONECT    9    7    8   10                                            
CONECT   10    9    3                                                 
CONECT   11    5   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   15   18                                            
CONECT   14   12                                                      
CONECT   15   13   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   13   22                                            
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   18                                                 
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0T9XC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.874  -0.479   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.462   0.235   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.322  -1.092   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.569  -0.757   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.655   0.064   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.236  -1.913   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.429  -2.084   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.017  -1.370   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.059   0.476   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.804   0.121   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.387   0.704   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.184   0.490   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.768   1.074   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       2.554   1.871   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.757   2.084   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.174   1.501   0.000  1.00  0.00           C  
HETATM   17  S   UNL     1      -2.014   0.848   0.000  1.00  0.00           S  
HETATM   18  C   UNL     1      -2.768   0.513   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.681  -0.308   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       1.018  -0.676   0.000  1.00  0.00           O  
CONECT    1    2    3   19                                            
CONECT    2    1    5   17                                            
CONECT    3    1    4    6                                            
CONECT    4    3    5    8                                            
CONECT    5    4    2    9                                            
CONECT    6    3    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    4                                                 
CONECT    9   10    5                                                 
CONECT   10    9   11   20                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    2   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18    1                                                 
CONECT   20   10                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0T9ZO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.333   3.024   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.333   2.199   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       2.048   1.786   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       2.762   2.199   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.762   3.024   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       2.048   3.436   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       0.619   3.436   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.096   3.024   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.096   2.199   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.619   1.786   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1      -0.810   1.786   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.810   0.961   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.525   0.549   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.525  -0.276   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.810  -0.689   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.096  -0.276   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.096   0.549   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.048   0.961   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.333   0.549   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.333  -0.276   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       2.048  -0.689   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       2.762  -0.276   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.762   0.549   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.048   4.261   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       3.477   3.436   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       3.477   1.786   0.000  1.00  0.00           C  
HETATM   27  S   UNL     1      -2.239  -0.689   0.000  1.00  0.00           S  
HETATM   28  O   UNL     1      -2.652   0.026   0.000  1.00  0.00           O  
HETATM   29  N   UNL     1      -1.827  -1.403   0.000  1.00  0.00           N  
HETATM   30  O   UNL     1      -2.954  -1.101   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -2.239  -2.118   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.064  -2.118   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.477  -2.832   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1      -3.064  -3.547   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1      -2.239  -3.547   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.827  -2.832   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.477  -4.261   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4   18                                            
CONECT    4    3    5   26                                            
CONECT    5    4    6   25                                            
CONECT    6    5    1   24                                            
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    2                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   27                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    3   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24    6                                                      
CONECT   25    5                                                      
CONECT   26    4                                                      
CONECT   27   14   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27   31                                                 
CONECT   30   27                                                      
CONECT   31   29   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   37                                            
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0TA4N
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.230  -0.794   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.230  -1.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.944  -2.032   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.659  -1.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.659  -0.794   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.944  -0.382   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.443  -1.874   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.928  -1.207   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.443  -0.539   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.698   0.245   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.698  -2.659   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.146  -3.272   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.505  -2.830   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.057  -2.217   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.944   0.443   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.230   0.856   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1       1.659   0.856   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.659   1.681   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.373   2.093   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.127   1.758   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.679   2.371   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1       3.266   3.085   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.459   2.914   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.846   3.466   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.602   3.839   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.117   4.507   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       3.298   0.951   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.485  -2.032   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.199  -1.619   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.914  -2.032   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.914  -2.857   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1      -1.199  -3.269   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1      -0.485  -2.857   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1      -2.628  -3.269   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1      -3.343  -2.857   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.057  -3.269   0.000  1.00  0.00           C  
HETATM   37  N   UNL     1      -4.057  -4.094   0.000  1.00  0.00           N  
HETATM   38  C   UNL     1      -3.343  -4.507   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.628  -4.094   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   28                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   15                                            
CONECT    7    4    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9                                                      
CONECT   11    7   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   14                                                 
CONECT   14   13                                                      
CONECT   15    6   16   17                                            
CONECT   16   15                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21   27                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   19   24                                            
CONECT   24   23                                                      
CONECT   25   22   26                                                 
CONECT   26   25                                                      
CONECT   27   20                                                      
CONECT   28    2   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   34                                            
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34   31   35   39                                            
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   34                                                 
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0TA9C
  -OEChem-09301911162D

 44 46  0     0  0  0  0  0  0999 V2000
    2.5369   -1.0137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4030   -0.4796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.5137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2632    1.0238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    0.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7991    1.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1311    0.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -0.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290   -1.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    1.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7953    2.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    0.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5273    2.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6594    2.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9952    1.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1350   -0.4729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0218    1.6409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1287    1.1471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708   -0.8466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0218   -1.6684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6694   -0.1062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.6063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2571    2.3183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2608    1.6438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0630    2.3292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    0.4947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5310    1.3425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6832    1.5662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5150   -0.4753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1374   -1.0929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7550   -0.4705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6570    3.1337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -2.3237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 44  1  0  0  0  0
  2 18  2  0  0  0  0
  3 25  2  0  0  0  0
  4 10  1  0  0  0  0
  4 18  1  0  0  0  0
  4 33  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 16  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 15  2  0  0  0  0
  8 17  1  0  0  0  0
  9 26  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  2  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 19  2  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 14 20  2  0  0  0  0
 15 30  1  0  0  0  0
 16 21  2  0  0  0  0
 16 31  1  0  0  0  0
 17 22  2  0  0  0  0
 17 32  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 42  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 43  1  0  0  0  0
M  END

$$$$
D0TB2H
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.268   2.625   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.268   1.800   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.982   1.388   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.696   1.800   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.696   2.625   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.982   3.038   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.982   0.563   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.268   0.150   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.268  -0.675   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.982  -1.087   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.696  -0.675   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.696   0.150   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.553   1.388   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.162   1.800   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.876   1.388   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.162   2.625   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.630   1.723   0.000  1.00  0.00           C  
HETATM   18  S   UNL     1      -2.182   1.110   0.000  1.00  0.00           S  
HETATM   19  C   UNL     1      -1.769   0.396   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.962   0.567   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.105  -0.358   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.912  -0.530   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.998  -1.350   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1      -2.244  -1.686   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.692  -1.072   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.031  -2.482   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       3.411  -1.087   0.000  1.00  0.00           N  
HETATM   28  N   UNL     1       1.982   3.863   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.614  -3.066   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.400  -3.863   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.411  -2.852   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   28                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   27                                            
CONECT   12   11    7                                                 
CONECT   13    2   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   17   20                                            
CONECT   16   14                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   15                                                 
CONECT   21   19   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   21                                                 
CONECT   26   24   29                                                 
CONECT   27   11                                                      
CONECT   28    6                                                      
CONECT   29   26   30   31                                            
CONECT   30   29                                                      
CONECT   31   29                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END

$$$$

$$$$
D0TB2L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215   0.722   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215  -0.103   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.501  -0.516   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.786  -0.103   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.786   0.722   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.501   1.134   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.072  -0.516   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.072  -1.341   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.072   1.134   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.072   1.959   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.786   2.372   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.357   0.722   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.357   1.134   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.072   0.722   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.786   1.134   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.786   1.959   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.072   2.372   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.357   1.959   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.786  -1.753   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.786  -2.578   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.072  -2.991   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.357  -2.578   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.357  -1.753   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       1.072  -0.103   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.357   2.372   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.786  -0.516   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.501  -0.103   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1       3.215  -0.516   0.000  1.00  0.00           F  
HETATM   29  C   UNL     1       0.357  -1.341   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.357  -2.991   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       1.429   2.991   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       2.143   2.578   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7   19   23                                            
CONECT    9    5   10   12                                            
CONECT   10    9   11   25                                            
CONECT   11   10                                                      
CONECT   12    9   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15   24                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   31                                            
CONECT   18   17   13                                                 
CONECT   19    8   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   30                                            
CONECT   23   22    8   29                                            
CONECT   24   14   26                                                 
CONECT   25   10                                                      
CONECT   26   24   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27                                                      
CONECT   29   23                                                      
CONECT   30   22                                                      
CONECT   31   17   32                                                 
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0TC7X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.357  -0.825   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.357  -0.412   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.357   0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.357   0.825   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.786   1.650   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.357  -1.650   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.357  -2.062   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.357   1.650   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.357   2.062   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1      -1.072   2.062   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.072   1.650   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.786   2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.786   2.888   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.072   3.300   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.357   2.888   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.357  -2.888   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.072  -3.300   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.786  -2.888   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.786  -2.062   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.072  -1.650   0.000  1.00  0.00           C  
HETATM   27 CL   UNL     1       2.501  -1.650   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   11                                            
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5   14                                            
CONECT   11    6                                                      
CONECT   12    7   13                                                 
CONECT   13   12   22   26                                            
CONECT   14   10   15   16                                            
CONECT   15   14   17   21                                            
CONECT   16   14                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   15                                                 
CONECT   22   13   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   13                                                 
CONECT   27   25                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0TD8R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501   0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072   1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   1.650   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.357   0.000   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.357   1.238   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.357   1.650   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.357   2.475   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.357   0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.072   0.000   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.357  -0.825   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.072  -1.238   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.072  -2.062   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.786  -2.475   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.072  -0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.786  -1.238   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.501  -0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.501   0.000   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.786   0.412   0.000  1.00  0.00           C  
HETATM   22  F   UNL     1      -3.215   1.650   0.000  1.00  0.00           F  
HETATM   23 BR   UNL     1       3.215  -1.238   0.000  1.00  0.00          Br  
HETATM   24 CL   UNL     2       0.065  -1.914   0.000  1.00  0.00          Cl  
CONECT    1    2    6   22                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4   11   13                                            
CONECT    8    9   11                                                 
CONECT    9    8    5   10                                            
CONECT   10    9                                                      
CONECT   11    8    7   12                                            
CONECT   12   11   17   21                                            
CONECT   13    7   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15                                                      
CONECT   17   12   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   12                                                 
CONECT   22    1                                                      
CONECT   23   19                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0TE2D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.285  -0.843   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.285  -1.668   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.570  -2.080   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.856  -1.668   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.856  -0.843   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.570  -0.430   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.141  -2.080   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.573  -1.668   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       1.327  -2.004   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1       1.879  -1.391   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.466  -0.676   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.659  -0.848   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.879   0.038   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.704   0.038   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.116   0.753   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.704   1.467   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.879   1.467   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.466   0.753   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       3.923   0.924   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       4.010   1.745   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       3.256   2.080   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.999  -0.430   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.213   0.366   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.010   0.153   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.796  -0.644   0.000  1.00  0.00           C  
CONECT    1    2    6   22                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11    8                                                 
CONECT   13   11   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   15   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22    1   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   22                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0TF0T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.932   0.274   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.932  -0.551   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.217  -0.964   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.503  -0.551   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.503   0.274   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.217   0.686   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.646   0.686   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -6.646  -0.964   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -5.217  -1.789   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.788   0.686   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.074   0.274   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.074  -0.551   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.359  -0.964   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.645  -0.551   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.645   0.274   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.359   0.686   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.860  -0.806   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.375  -0.139   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.860   0.529   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.605   1.313   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.339   0.274   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       1.054  -0.139   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.768   0.274   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.483  -0.139   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.197   0.274   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.197   1.099   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.483   1.511   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.768   1.099   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.912   1.511   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.626   1.099   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.038   0.384   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       5.846   0.556   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       5.932   1.376   0.000  1.00  0.00           C  
HETATM   34  S   UNL     1       5.178   1.712   0.000  1.00  0.00           S  
HETATM   35  O   UNL     1       6.646   1.789   0.000  1.00  0.00           O  
HETATM   36  O   UNL     1       4.703  -0.369   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    2                                                      
CONECT    9    3                                                      
CONECT   10    5   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16   19                                            
CONECT   16   15   11                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   15   20                                            
CONECT   20   19                                                      
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   26   30                                                 
CONECT   30   29   31   34                                            
CONECT   31   30   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34   35                                            
CONECT   34   33   30                                                 
CONECT   35   33                                                      
CONECT   36   31                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0TF2N
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.062  -0.139   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.062  -0.964   0.000  1.00  0.00           C  
HETATM    3  O   UNL     1       0.653  -1.376   0.000  1.00  0.00           O  
HETATM    4  C   UNL     1       1.367  -0.964   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.367  -0.139   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       0.653   0.274   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.776   0.274   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.491  -0.139   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.491  -0.964   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.776  -1.376   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.653   1.099   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.367   1.511   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.082   1.099   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.796   1.511   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.796   2.336   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.082   2.749   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.367   2.336   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1       3.511   2.749   0.000  1.00  0.00          Cl  
HETATM   19  C   UNL     1      -2.205  -1.376   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.959  -1.041   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.511  -1.654   0.000  1.00  0.00           O  
HETATM   22  N   UNL     1      -3.098  -2.368   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.291  -2.197   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.130  -0.234   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.678  -2.749   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.205   0.274   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.205   1.099   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   11                                            
CONECT    7    1    8                                                 
CONECT    8    7    9   26                                            
CONECT    9    8   10   19                                            
CONECT   10    9    2                                                 
CONECT   11    6   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15                                                      
CONECT   19    9   20   23                                            
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   19   25                                            
CONECT   24   20                                                      
CONECT   25   23                                                      
CONECT   26    8   27                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0TG1V
  -OEChem-09301911212D

 52 54  0     1  0  0  0  0  0999 V2000
    6.3301    3.9330    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.9330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.5670    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301   -4.9330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301   -3.2010    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    3.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    4.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0670    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    0.9330    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -2.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5670    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7320    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.0156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.3254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -1.1496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -0.4593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.3254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    1.0156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.0301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.2570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.1039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -2.0670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -2.0670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.6870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062    3.8961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    4.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862    4.9700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  1 23  1  0  0  0  0
  1 29  1  0  0  0  0
  2 25  1  0  0  0  0
  3 30  1  0  0  0  0
  4 30  1  0  0  0  0
  5 30  1  0  0  0  0
  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
  8 20  1  0  0  0  0
  9 13  1  0  0  0  0
  9 16  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 26  2  0  0  0  0
 11 20  2  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  6  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 45  1  0  0  0  0
 22 24  2  0  0  0  0
 22 46  1  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
 24 47  1  0  0  0  0
 26 28  1  0  0  0  0
 26 30  1  0  0  0  0
 27 28  2  0  0  0  0
 27 48  1  0  0  0  0
 28 49  1  0  0  0  0
 29 50  1  0  0  0  0
 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
M  END

$$$$
D0TH2W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -7.501  -1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.215  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.786  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.786   0.000   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.501   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.215   0.000   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.072   0.412   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -5.357   0.000   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.643   0.412   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.928   0.000   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.214   0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.499   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.499  -0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.785  -1.238   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.071  -0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.071   0.000   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.785   0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.356   0.412   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.358   0.000   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.073   0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.787   0.000   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.502   0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.216   0.000   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       3.931   0.412   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       4.645   0.000   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       5.360   0.412   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       6.074   0.000   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       6.789   0.412   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.643   1.238   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       4.645  -0.825   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       6.789   1.238   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       7.503   0.000   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       8.215   0.411   0.000  1.00  0.00           C  
CONECT    1    2    3                                                 
CONECT    2    1    6                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    2                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   29                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   12                                                 
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   32   27   31                                            
CONECT   29    9                                                      
CONECT   30   25                                                      
CONECT   31   28                                                      
CONECT   32   33   28                                                 
CONECT   33   32                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0TH3L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.888  -0.633   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.475  -1.347   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.650  -1.347   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.238  -0.633   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.650   0.082   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.475   0.082   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.412  -0.633   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.000   0.082   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.000  -1.347   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.825  -1.347   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.238  -2.062   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.062  -2.062   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.475  -1.347   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.062  -0.633   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.238  -0.633   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.300  -1.347   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.712  -2.062   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       3.712  -0.633   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       3.300   0.082   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1       0.821   0.168   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.992   0.975   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       0.278   1.387   0.000  1.00  0.00           N  
HETATM   23  S   UNL     1      -0.336   0.836   0.000  1.00  0.00           S  
HETATM   24  F   UNL     1      -3.712  -0.633   0.000  1.00  0.00           F  
HETATM   25  C   UNL     1       1.746   1.311   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1       2.080   0.559   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1       2.497   1.645   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       1.411   2.062   0.000  1.00  0.00           F  
CONECT    1    2    6   24                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   20   23                                            
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18                                                      
CONECT   20    8   21                                                 
CONECT   21   25   20   22                                            
CONECT   22   21   23                                                 
CONECT   23   22    8                                                 
CONECT   24    1                                                      
CONECT   25   26   27   28   21                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0TH5W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.350   0.933   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.636   0.520   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.636  -0.305   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.078  -0.717   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.793  -0.305   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.793   0.520   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.078   0.933   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1       0.078   1.758   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       1.507  -0.717   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.222  -0.305   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.936  -0.717   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.936  -1.542   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.651  -1.955   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.365  -1.542   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.365  -0.717   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.651  -0.305   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       5.150  -1.797   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       5.635  -1.130   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       5.150  -0.462   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       5.405  -2.582   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.350   1.758   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.065   2.170   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.779   1.758   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.779   0.933   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.065   0.520   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.494   2.170   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.208   1.758   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.208   0.933   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.494   0.520   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.923   2.170   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -5.635   2.582   0.000  1.00  0.00           N  
CONECT    1    2   21   25                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    7                                                 
CONECT    7    6    2    8                                            
CONECT    8    7                                                      
CONECT    9    5   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16   19                                            
CONECT   16   15   11                                                 
CONECT   17   14   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   15                                                 
CONECT   20   17                                                      
CONECT   21    1   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25   29                                            
CONECT   25   24    1                                                 
CONECT   26   23   27                                                 
CONECT   27   30   26   28                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   31   27                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0TH6M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.454  -1.232   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.454  -2.057   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.740  -2.470   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.025  -2.057   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.025  -1.232   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.740  -0.820   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.740   0.005   0.000  1.00  0.00           C  
HETATM    8 CL   UNL     1      -2.311  -0.820   0.000  1.00  0.00          Cl  
HETATM    9 CL   UNL     1      -5.169  -0.820   0.000  1.00  0.00          Cl  
HETATM   10  C   UNL     1      -3.072   0.490   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.327   1.275   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.152   1.275   0.000  1.00  0.00           O  
HETATM   13  N   UNL     1      -4.407   0.490   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.842   1.942   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.288   0.235   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.675   0.787   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.890   0.532   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.719  -0.275   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.066  -0.530   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.679   0.022   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.508   0.829   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.277   1.084   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.464  -0.233   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.635  -1.040   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.420  -1.294   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.033  -0.743   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.862   0.065   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.077   0.320   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       2.756  -2.048   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       3.576  -1.962   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.748  -1.155   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.343  -2.763   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.501  -0.819   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       4.588   0.001   0.000  1.00  0.00           O  
HETATM   35  O   UNL     1       5.169  -1.304   0.000  1.00  0.00           O  
HETATM   36  C   UNL     1      -2.089   2.278   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.756   2.763   0.000  1.00  0.00           C  
CONECT    1    2    6    9                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1    7                                            
CONECT    7    6   10   13                                            
CONECT    8    5                                                      
CONECT    9    1                                                      
CONECT   10    7   11   15                                            
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    7                                                 
CONECT   14   11   36   37                                            
CONECT   15   10   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   23                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   20   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   25   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   26   33                                            
CONECT   32   29                                                      
CONECT   33   31   34   35                                            
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   14   37                                                 
CONECT   37   36   14                                                 
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0TH7T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -1.238   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -1.650   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -1.238   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.072  -0.412   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.786   0.000   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.786   0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.072   1.238   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.072   2.062   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.786   2.475   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.501   2.062   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.501   1.238   0.000  1.00  0.00           C  
HETATM   13 CL   UNL     1      -3.215   0.825   0.000  1.00  0.00          Cl  
HETATM   14  N   UNL     1      -0.357   2.475   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.357   2.062   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.357   1.238   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.072   2.475   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.786   2.062   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.501   2.475   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.501   3.300   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.786   3.712   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.072   3.300   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.357  -1.650   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       0.357  -1.238   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.072  -1.650   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.072  -2.475   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.786  -2.888   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       2.501  -2.475   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       2.501  -1.650   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.786  -1.238   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.215  -1.238   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.786  -3.712   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   23                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7   13                                            
CONECT   13   12                                                      
CONECT   14    9   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15                                                      
CONECT   17   15   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23    4   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30   31                                            
CONECT   30   29   25                                                 
CONECT   31   29                                                      
CONECT   32   27                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0TI0R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.540   0.690   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.540  -0.135   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.825  -0.548   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.111  -0.135   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.111   0.690   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.825   1.102   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.397  -0.548   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.825  -1.373   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.540  -1.785   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.540  -2.610   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.825  -3.023   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.111  -2.610   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.111  -1.785   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.326  -2.865   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.841  -2.198   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.326  -1.530   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.016  -2.198   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.444   1.123   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1      -1.682  -0.135   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.856   1.329   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.008   1.928   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.695   2.353   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.437   1.911   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.237   2.463   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.334   3.194   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.103   3.680   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.804   3.206   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.470   3.553   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.295   3.539   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.894   4.260   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.123   2.377   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.949   0.628   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.247   0.731   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1      -2.601   3.420   0.000  1.00  0.00           F  
HETATM   35  C   UNL     1      -0.531  -2.865   0.000  1.00  0.00           C  
HETATM   36  N   UNL     1       0.253  -2.610   0.000  1.00  0.00           N  
HETATM   37  N   UNL     1       0.253  -1.785   0.000  1.00  0.00           N  
HETATM   38  C   UNL     1      -0.531  -1.530   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       0.968  -3.023   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       0.968  -3.848   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       1.682  -4.260   0.000  1.00  0.00           C  
HETATM   42  C   UNL     1       2.397  -3.848   0.000  1.00  0.00           C  
HETATM   43  N   UNL     1       2.397  -3.023   0.000  1.00  0.00           N  
HETATM   44  C   UNL     1       1.682  -2.610   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1       3.111  -2.610   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1       3.825  -3.023   0.000  1.00  0.00           C  
HETATM   47  C   UNL     1       4.540  -2.610   0.000  1.00  0.00           C  
HETATM   48  O   UNL     1       3.111  -1.785   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   18                                            
CONECT    6    5    1                                                 
CONECT    7    4   19                                                 
CONECT    8    3    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    8   16                                            
CONECT   14   12   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   13                                                 
CONECT   17   15   35   38                                            
CONECT   18    5   23   32                                            
CONECT   19    7                                                      
CONECT   20   21   33                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23   27                                            
CONECT   23   22   18   31                                            
CONECT   24   21   25                                                 
CONECT   25   24   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   22   34                                            
CONECT   28   25   29   30                                            
CONECT   29   28   30                                                 
CONECT   30   29   28                                                 
CONECT   31   23                                                      
CONECT   32   18   33                                                 
CONECT   33   32   20                                                 
CONECT   34   27                                                      
CONECT   35   17   36                                                 
CONECT   36   35   37   39                                            
CONECT   37   36   38                                                 
CONECT   38   37   17                                                 
CONECT   39   36   40   44                                            
CONECT   40   39   41                                                 
CONECT   41   40   42                                                 
CONECT   42   41   43                                                 
CONECT   43   42   44   45                                            
CONECT   44   43   39                                                 
CONECT   45   43   46   48                                            
CONECT   46   45   47                                                 
CONECT   47   46                                                      
CONECT   48   45                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
M  END

$$$$
D0TI3Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.257   1.763   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.257   0.938   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.543   0.526   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.829   0.938   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.829   1.763   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.543   2.176   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.114   0.526   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.028  -0.295   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.221  -0.466   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.192   0.248   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.360   0.861   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -3.972   2.176   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1      -1.641  -0.847   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.426  -0.592   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.039  -1.144   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.867  -1.951   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.083  -2.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.469  -1.654   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -0.685  -1.909   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1       1.012   0.335   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       1.497  -0.333   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1       1.348   1.088   0.000  1.00  0.00           O  
HETATM   23 CL   UNL     1      -3.480  -2.503   0.000  1.00  0.00          Cl  
HETATM   24  N   UNL     1       2.322  -0.333   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       2.735  -1.047   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.559  -1.047   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.972  -0.333   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.559   0.382   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.735   0.382   0.000  1.00  0.00           C  
HETATM   30  S   UNL     1      -0.277   1.678   0.000  1.00  0.00           S  
HETATM   31  O   UNL     1      -1.102   1.678   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1      -0.277   2.503   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       0.548   1.678   0.000  1.00  0.00           C  
CONECT    1    2    6   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   20                                            
CONECT   11   10    7   30                                            
CONECT   12    1                                                      
CONECT   13    8   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   23                                            
CONECT   17   16   18                                                 
CONECT   18   17   13   19                                            
CONECT   19   18                                                      
CONECT   20   10   21   22                                            
CONECT   21   20   24                                                 
CONECT   22   20                                                      
CONECT   23   16                                                      
CONECT   24   21   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   11   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0TI5Y
  -OEChem-09301911162D

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 29 31  1  0  0  0  0
 29 69  1  0  0  0  0
 29 70  1  0  0  0  0
 30 71  1  0  0  0  0
 31 33  1  0  0  0  0
 31 72  1  0  0  0  0
 31 73  1  0  0  0  0
 32 34  2  0  0  0  0
 32 35  1  0  0  0  0
 33 74  1  0  0  0  0
 33 75  1  0  0  0  0
 33 76  1  0  0  0  0
 34 36  1  0  0  0  0
 34 77  1  0  0  0  0
 35 37  2  0  0  0  0
 35 78  1  0  0  0  0
 36 38  2  0  0  0  0
 36 79  1  0  0  0  0
 37 38  1  0  0  0  0
 37 80  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
 40 42  2  0  0  0  0
 40 44  1  0  0  0  0
 41 43  1  0  0  0  0
 41 81  1  0  0  0  0
 42 45  1  0  0  0  0
 42 82  1  0  0  0  0
 43 45  2  0  0  0  0
 43 83  1  0  0  0  0
 45 84  1  0  0  0  0
M  END

$$$$
D0TJ4D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.860  -1.120   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.259  -1.842   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.833  -2.548   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.009  -2.533   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.609  -1.811   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.035  -1.104   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.636  -0.382   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.286  -0.413   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.887   0.309   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.313   1.016   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.138   1.000   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.537   0.278   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.111  -0.428   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.785  -1.795   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.386  -1.073   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.439  -1.058   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.838  -0.336   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.413   0.371   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.412   0.355   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.811  -0.367   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1       0.865  -1.764   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       1.690  -1.749   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.089  -1.027   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.663  -0.320   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.062   0.402   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       2.887   0.417   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       3.320  -0.285   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.144  -0.285   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.537   0.417   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.144   1.119   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.320   1.119   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       2.918   1.840   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       2.093   1.852   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1       3.340   2.548   0.000  1.00  0.00           O  
CONECT    1    2    6    8                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   14                                            
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    1    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    5   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18   24                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   16   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   17   25                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   26   32                                            
CONECT   32   31   33   34                                            
CONECT   33   32                                                      
CONECT   34   32                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0TK0L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.969   0.278   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.969  -0.547   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.254  -0.959   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.540  -0.547   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.540   0.278   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.254   0.691   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.825  -0.959   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.111  -0.547   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.111   0.278   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.825   0.691   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.397   0.691   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.682   0.278   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.682  -0.547   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.032  -0.959   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.747  -0.547   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.747   0.278   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.032   0.691   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.461  -0.959   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.825   1.516   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.825  -1.784   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.540  -2.197   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.540  -3.022   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.825  -3.434   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.111  -3.022   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.111  -2.197   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       1.461  -1.784   0.000  1.00  0.00           O  
HETATM   27  N   UNL     1       2.176  -0.547   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       2.584   1.418   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.171   0.704   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.965   0.931   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.763   0.704   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.175   1.418   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.382   1.192   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.584   2.243   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.409   2.720   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.208   2.506   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       2.922   1.876   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1       3.821   3.434   0.000  1.00  0.00           O  
HETATM   39  H   UNL     1       1.374   0.915   0.000  1.00  0.00           H  
HETATM   40  H   UNL     1       1.787   1.632   0.000  1.00  0.00           H  
HETATM   41  H   UNL     1       4.969   1.193   0.000  1.00  0.00           H  
HETATM   42  H   UNL     1       2.632   0.355   0.000  1.00  0.00           H  
HETATM   43  C   UNL     1      -1.934  -1.062   0.000  1.00  0.00           C  
HETATM   44  O   UNL     1      -2.649  -1.475   0.000  1.00  0.00           O  
HETATM   45  O   UNL     1      -1.220  -1.475   0.000  1.00  0.00           O  
HETATM   46  C   UNL     1      -0.505  -1.062   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   20                                            
CONECT    8    7    9   43                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5   19                                            
CONECT   11    9   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   26   27                                            
CONECT   19   10                                                      
CONECT   20    7   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   18                                                      
CONECT   27   18   29                                                 
CONECT   28   29   33   34   40                                       
CONECT   29   28   30   39   27                                       
CONECT   30   29   31   37   42                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   36   41                                       
CONECT   33   32   28                                                 
CONECT   34   28   35                                                 
CONECT   35   34   36   37   38                                       
CONECT   36   35   32                                                 
CONECT   37   35   30                                                 
CONECT   38   35                                                      
CONECT   39   29                                                      
CONECT   40   28                                                      
CONECT   41   32                                                      
CONECT   42   30                                                      
CONECT   43    8   44   45                                            
CONECT   44   43                                                      
CONECT   45   43   46                                                 
CONECT   46   45                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
M  END

$$$$
D0TK2N
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.301  -0.163   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.301  -0.988   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.587  -1.400   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.872  -0.988   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.872  -0.163   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.587   0.250   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.016  -1.400   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.730  -0.988   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.445  -1.400   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.270  -1.400   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.857  -2.115   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.158   0.250   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.443  -0.163   0.000  1.00  0.00           N  
HETATM   14  O   UNL     1      -1.158   1.075   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       0.271   0.250   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.986  -0.163   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.700   0.250   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.700   1.075   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.986   1.488   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.271   1.075   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.485  -0.005   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.970   0.662   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.485   1.330   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       0.986  -0.988   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.795   0.662   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       4.207  -0.052   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       5.032  -0.052   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.445  -0.766   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.730  -1.179   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.445  -1.591   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       6.270  -0.766   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       2.740   2.115   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   12                                            
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   11                                                 
CONECT   11   10    9                                                 
CONECT   12    5   13   14                                            
CONECT   13   12   15                                                 
CONECT   14   12                                                      
CONECT   15   13   16   20                                            
CONECT   16   15   17   24                                            
CONECT   17   16   18   21                                            
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   17   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   18   32                                            
CONECT   24   16                                                      
CONECT   25   22   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
CONECT   32   23                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0TK2O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.717   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.717  -0.413   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.003  -0.826   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.288  -0.413   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.288   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.003   0.824   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.574   0.824   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.574   1.649   0.000  1.00  0.00           O  
HETATM    9  N   UNL     1      -2.859   0.412   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.145   0.824   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.430   0.412   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1      -2.145   1.649   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.716   0.824   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.001   0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.713   0.824   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.713   1.649   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.001   2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.716   1.649   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.428   2.062   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.428   0.412   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.142   0.824   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.857   0.412   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       2.142   1.649   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       2.857  -0.413   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.571  -0.826   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.286  -0.413   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.286   0.412   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.571   0.824   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       5.000  -0.826   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.715  -0.413   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       6.429  -0.826   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       7.143  -0.413   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       7.143   0.412   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       6.429   0.824   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       5.715   0.412   0.000  1.00  0.00           C  
HETATM   36  O   UNL     1      -6.431   0.824   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1      -7.143   0.413   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1      -6.431  -0.826   0.000  1.00  0.00           O  
HETATM   39  C   UNL     1      -6.431  -1.648   0.000  1.00  0.00           C  
HETATM   40  O   UNL     1      -5.003  -1.651   0.000  1.00  0.00           O  
HETATM   41  C   UNL     1      -4.291  -2.062   0.000  1.00  0.00           C  
CONECT    1   36    2    6                                            
CONECT    2   38    1    3                                            
CONECT    3   40    2    4                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10   13                                                 
CONECT   12   10                                                      
CONECT   13   11   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16                                                      
CONECT   20   15   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   24   28                                            
CONECT   23   21                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28   35                                            
CONECT   28   27   22                                                 
CONECT   29   26   30                                                 
CONECT   30   29   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   30   27                                            
CONECT   36   37    1                                                 
CONECT   37   36                                                      
CONECT   38   39    2                                                 
CONECT   39   38                                                      
CONECT   40   41    3                                                 
CONECT   41   40                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D0TK3S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.776  -0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.061  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.347  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.347   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.061   0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.776   0.412   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.632  -0.825   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.918  -0.412   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.918   0.412   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.632   0.825   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.203   0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.511   0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.226   0.825   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.226   1.650   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.511   2.062   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.203   1.650   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.940   2.062   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.655   1.650   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.490  -0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.205  -0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.919  -0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.919  -1.650   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.205  -2.062   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.490  -1.650   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.632   1.650   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       2.868   0.853   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       3.665   1.067   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       3.451   1.863   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.380   0.654   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.094   1.067   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.919   1.067   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.506   1.781   0.000  1.00  0.00           C  
CONECT    1    2    6   19                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    4   25                                            
CONECT   11    9   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   14   18                                                 
CONECT   18   17   26   28                                            
CONECT   19    1   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   10                                                      
CONECT   26   18   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   18                                                 
CONECT   29   27   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30   32                                                 
CONECT   32   31   30                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0TK3W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.709   1.577   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.464   0.792   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.358   0.783   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.621   1.562   0.000  1.00  0.00           N  
HETATM    5  O   UNL     1      -0.038   2.053   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1      -0.954   0.133   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.771   0.228   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.261  -0.432   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1      -2.097   0.982   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       0.834   0.112   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.491  -0.635   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.967  -1.305   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.786  -1.229   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.129  -0.481   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.653   0.189   0.000  1.00  0.00           C  
HETATM   16 CL   UNL     1       2.261  -1.899   0.000  1.00  0.00          Cl  
HETATM   17 CL   UNL     1       0.624  -2.053   0.000  1.00  0.00          Cl  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4   10                                            
CONECT    4    3    5                                                 
CONECT    5    4    1                                                 
CONECT    6    2    7                                                 
CONECT    7    6    8    9                                            
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    3   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13                                                      
CONECT   17   12                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D0TK5G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.768   0.662   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.768  -0.163   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.054  -0.575   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.339  -0.163   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.339   0.662   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.054   1.075   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.054   1.900   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.768   2.312   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.054  -1.400   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.768  -1.813   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.625   1.075   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.090   0.662   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.804   1.075   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.804   1.900   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.090   2.312   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.625   1.900   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.339   2.312   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.339   3.137   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.449   0.560   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.254   0.744   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       2.612   1.487   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.254   2.230   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       1.449   2.414   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.266   3.218   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       2.768   2.875   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       1.266  -0.244   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.477  -0.487   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.294  -1.292   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.899  -1.853   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.687  -1.610   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.871  -0.805   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       0.715  -2.657   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       1.320  -3.218   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   11                                            
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7                                                      
CONECT    9    3   10                                                 
CONECT   10    9                                                      
CONECT   11    5   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   19                                            
CONECT   14   13   15   23                                            
CONECT   15   14   16                                                 
CONECT   16   15   11   17                                            
CONECT   17   16   18                                                 
CONECT   18   17                                                      
CONECT   19   13   20   26                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   14   24                                            
CONECT   24   23                                                      
CONECT   25   22                                                      
CONECT   26   19   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   32                                            
CONECT   30   29   31                                                 
CONECT   31   30   26                                                 
CONECT   32   29   33                                                 
CONECT   33   32                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0TK5U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.429   3.300   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.429   2.475   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.714   2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.001   2.475   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.001   3.300   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.714   3.712   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.715   3.712   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.429   3.300   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.429   2.475   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       2.144   2.062   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.858   2.475   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.858   3.300   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       2.144   3.712   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -2.143   2.062   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.857   2.475   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.572   2.062   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.572   1.238   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.857   0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.143   1.238   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.144   1.238   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.429   0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.429   0.000   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.144  -0.412   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.858   0.000   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.858   0.825   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       2.144  -1.238   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       1.429  -1.650   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       0.715  -1.238   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       1.429  -2.475   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.715  -2.888   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.001  -2.475   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       0.715  -3.712   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.572  -0.412   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       2.747  -0.412   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   14                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   20                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    2   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   10   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25   33                                            
CONECT   25   24   20                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27                                                      
CONECT   29   27   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   24   34                                                 
CONECT   34   33                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0TL2C
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143   0.619   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.572  -1.031   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       0.000   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.715   0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.429   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.715   0.619   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.429  -0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.143  -1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.858  -0.619   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.858   0.206   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.143   0.619   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.715  -1.031   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1       0.715  -1.031   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       2.143   1.444   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1       3.572  -1.031   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       0.715  -1.856   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.572  -1.856   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.429   1.856   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   17                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    9   11                                                 
CONECT    9    8   10                                                 
CONECT   10    9   12   16                                            
CONECT   11    5    8                                                 
CONECT   12   10   13   18                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   20                                            
CONECT   15   14   16                                                 
CONECT   16   15   10   19                                            
CONECT   17    4                                                      
CONECT   18   12   21                                                 
CONECT   19   16   23                                                 
CONECT   20   14   22                                                 
CONECT   21   18                                                      
CONECT   22   20                                                      
CONECT   23   19                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0TL4F
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.316   0.544   0.000  1.00  0.00           C  
HETATM    2  O   UNL     1       1.030   0.956   0.000  1.00  0.00           O  
HETATM    3  C   UNL     1       1.744   0.544   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.459   0.956   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       3.213   0.621   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1       3.765   1.234   0.000  1.00  0.00           N  
HETATM    7  O   UNL     1       3.352   1.948   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       2.545   1.777   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.384  -0.186   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.771  -0.738   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.942  -1.545   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.727  -1.800   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       4.340  -1.248   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.169  -0.441   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.932   2.329   0.000  1.00  0.00           C  
HETATM   16 CL   UNL     1       1.986  -0.483   0.000  1.00  0.00          Cl  
HETATM   17 CL   UNL     1       4.782   0.111   0.000  1.00  0.00          Cl  
HETATM   18  C   UNL     1       1.677   3.113   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.125   2.500   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.399   0.956   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.113   0.544   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.113  -0.281   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.399  -0.694   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.316  -0.281   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.070   0.264   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.593  -0.038   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.825  -0.692   0.000  1.00  0.00           C  
HETATM   28  S   UNL     1      -2.579  -0.357   0.000  1.00  0.00           S  
HETATM   29  C   UNL     1      -3.131  -0.970   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.719  -1.684   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -1.912  -1.513   0.000  1.00  0.00           N  
HETATM   32  O   UNL     1      -1.832  -0.089   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -3.956  -0.970   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.369  -1.684   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.956  -2.399   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.131  -2.399   0.000  1.00  0.00           C  
HETATM   37  H   UNL     1      -2.719  -3.113   0.000  1.00  0.00           H  
HETATM   38  C   UNL     1      -4.782  -1.682   0.000  1.00  0.00           C  
HETATM   39  O   UNL     1      -4.369  -0.968   0.000  1.00  0.00           O  
HETATM   40  O   UNL     1      -4.369  -2.397   0.000  1.00  0.00           O  
CONECT    1    2   20   24                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    9                                            
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    4   15                                            
CONECT    9    5   10   14                                            
CONECT   10    9   11   16                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9   17                                            
CONECT   15    8   18   19                                            
CONECT   16   10                                                      
CONECT   17   14                                                      
CONECT   18   15   19                                                 
CONECT   19   18   15                                                 
CONECT   20    1   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23   27   32                                       
CONECT   23   22   24   26                                            
CONECT   24   23    1                                                 
CONECT   25   21   26                                                 
CONECT   26   25   23                                                 
CONECT   27   22   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30   33                                            
CONECT   30   29   31   36                                            
CONECT   31   30   27                                                 
CONECT   32   22                                                      
CONECT   33   29   34                                                 
CONECT   34   33   35   38                                            
CONECT   35   34   36                                                 
CONECT   36   35   30   37                                            
CONECT   37   36                                                      
CONECT   38   34   39   40                                            
CONECT   39   38                                                      
CONECT   40   38                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0TM4R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215  -0.412   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.215  -1.238   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.501  -1.650   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.786  -1.238   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.786  -0.412   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.501   0.000   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.072   0.000   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.357  -0.412   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1       0.357   0.000   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.072   0.825   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.930  -1.650   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.644  -1.238   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.930  -2.475   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.072  -0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.786   0.000   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.786   0.825   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.072   1.238   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.357   0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.501   1.238   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.215   0.825   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.930   1.238   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       3.930   2.062   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.215   2.475   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.501   2.062   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       4.644   2.475   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8   14   18                                            
CONECT   10    7                                                      
CONECT   11    2   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14    9   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17    9                                                 
CONECT   19   16   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   22                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0TN6E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.501  -2.062   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.786  -1.650   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.786  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.501  -0.412   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.072  -0.412   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.072   0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.357  -0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.357  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.072  -0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.786  -0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.786   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.072   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.357   0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.501   0.825   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.501   1.650   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       3.215   0.412   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       3.930   0.825   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1      -0.357   0.825   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.357   1.650   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.072   2.062   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.786   1.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.786   0.825   0.000  1.00  0.00           C  
HETATM   25  H   UNL     1      -3.930  -0.412   0.000  1.00  0.00           H  
CONECT    1    2    6   25                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   20   24                                            
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18                                                      
CONECT   20    8   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23    8                                                 
CONECT   25    1                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0TO3O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.072   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.072  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.786  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.501  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.501   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.786   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.357   0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.357   0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.357  -0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.357  -0.825   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.072   0.000   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.786  -0.412   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.786  -1.238   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.072  -1.650   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.357  -1.238   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.501   0.000   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.215  -0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.930   0.000   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.644  -0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.644  -1.238   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.930  -1.650   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.215  -1.238   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.072   0.825   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       3.215   0.825   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       3.215   1.650   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1       3.930   0.412   0.000  1.00  0.00           N  
HETATM   27  O   UNL     1       4.644   0.825   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   24                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11   15                                       
CONECT   10    9    2                                                 
CONECT   11    9   12   23                                            
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    9                                                 
CONECT   16   12   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   11                                                      
CONECT   24    5   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0TP0S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.925  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.925  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.210  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.496  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.496  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.210   0.206   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.781  -1.444   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.067  -1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.067  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.781   0.206   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.781   1.031   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.352   0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.362  -0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.077   0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.077   1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.362   1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.352   1.031   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.210   1.031   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.922   1.442   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.639  -1.444   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -4.639  -2.266   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       1.791   1.444   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.791   2.266   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       1.791  -0.206   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       2.503   0.205   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.215  -0.206   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.215  -1.028   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.927  -1.440   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.639  -1.028   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.639  -0.206   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.927   0.205   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2   20    1    3                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6   18    5    1                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9    5   11                                            
CONECT   11   10                                                      
CONECT   12    9   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   24   13   15                                            
CONECT   15   22   14   16                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   19    6                                                 
CONECT   19   18                                                      
CONECT   20   21    2                                                 
CONECT   21   20                                                      
CONECT   22   23   15                                                 
CONECT   23   22                                                      
CONECT   24   25   14                                                 
CONECT   25   26   24                                                 
CONECT   26   27   31   25                                            
CONECT   27   28   26                                                 
CONECT   28   29   27                                                 
CONECT   29   30   28                                                 
CONECT   30   31   29                                                 
CONECT   31   30   26                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0TP7S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786   0.412   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.357  -1.238   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.357  -0.825   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.357   0.000   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.357   0.412   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.357   1.238   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       0.357   1.650   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.072   1.238   0.000  1.00  0.00           N  
HETATM   14  O   UNL     1       0.357   2.475   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.072  -1.238   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.072  -2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.786  -2.475   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.501  -2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.501  -1.238   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.786  -0.825   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1       0.357  -2.475   0.000  1.00  0.00          Cl  
HETATM   22  C   UNL     1       2.142   0.619   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.427   1.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.500   1.238   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.786   1.650   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   15                                            
CONECT    9    8   10                                                 
CONECT   10    9    5   11                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   23   25                                            
CONECT   14   12                                                      
CONECT   15    8   16   20                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   16                                                      
CONECT   22   23                                                      
CONECT   23   13   22                                                 
CONECT   24   25                                                      
CONECT   25   13   24                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0TR9T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.525   1.615   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.313   1.371   0.000  1.00  0.00           C  
HETATM    3  O   UNL     1      -1.324   0.546   0.000  1.00  0.00           O  
HETATM    4  N   UNL     1      -0.543   0.280   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.049   0.941   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.776   0.930   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.179   0.210   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.003   0.198   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.426   0.907   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.023   1.627   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.198   1.639   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.251   0.896   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       3.653   0.176   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       4.478   0.165   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.881  -0.555   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       5.039   0.770   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1       4.535  -1.304   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       5.141  -1.865   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       5.861  -1.462   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       5.700  -0.653   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       6.261  -0.047   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.974   1.865   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.688   1.452   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.403   1.865   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.117   1.452   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.832   1.865   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.546   1.452   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.261   1.865   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3   22                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    1    6                                            
CONECT    6    5    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11                                                 
CONECT   11   10    6                                                 
CONECT   12    9   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   17   20                                            
CONECT   16   14                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
CONECT   22    2   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0TS3S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.104   2.802   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.531   2.096   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.132   1.374   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.307   1.358   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.881   2.064   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.280   2.786   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.909   0.635   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.335  -0.071   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.160  -0.055   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.586  -0.761   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.187  -1.484   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.363  -1.500   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.936  -0.793   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.084   0.619   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.488   0.025   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.083   0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.488   1.214   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.614  -2.190   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.908   0.619   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.320  -0.095   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.320   1.334   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.145   1.334   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.558   2.048   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.145   2.763   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.320   2.763   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.908   2.048   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       1.908   3.477   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       3.145  -0.095   0.000  1.00  0.00           F  
HETATM   29  C   UNL     1       1.908  -0.810   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.733  -0.810   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       4.383   2.048   0.000  1.00  0.00           F  
HETATM   32  O   UNL     1      -3.436  -2.260   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -3.623  -3.064   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1      -2.916  -3.490   0.000  1.00  0.00           N  
HETATM   35  N   UNL     1      -2.293  -2.950   0.000  1.00  0.00           N  
HETATM   36  O   UNL     1      -4.383  -3.385   0.000  1.00  0.00           O  
HETATM   37  C   UNL     1      -0.862   3.490   0.000  1.00  0.00           C  
HETATM   38  N   UNL     1      -0.037   3.490   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   37                                            
CONECT    7    4    8   14                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   18                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    7   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   14                                                 
CONECT   18   11   32   35                                            
CONECT   19   16   21   20                                            
CONECT   20   28   29   30   19                                       
CONECT   21   22   26   19                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   31                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   21                                                 
CONECT   27   25                                                      
CONECT   28   20                                                      
CONECT   29   20                                                      
CONECT   30   20                                                      
CONECT   31   23                                                      
CONECT   32   18   33                                                 
CONECT   33   32   34   36                                            
CONECT   34   33   35                                                 
CONECT   35   34   18                                                 
CONECT   36   33                                                      
CONECT   37    6   38                                                 
CONECT   38   37                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0TT0B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.257   1.927   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.257   1.102   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.543   0.689   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.829   1.102   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.829   1.927   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.543   2.339   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.114   0.689   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.028  -0.131   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.221  -0.303   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.192   0.412   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.360   1.025   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.641  -0.683   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.426  -0.428   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.039  -0.980   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.867  -1.787   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.083  -2.042   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.469  -1.490   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -0.685  -1.745   0.000  1.00  0.00          Cl  
HETATM   19 CL   UNL     1      -3.480  -2.339   0.000  1.00  0.00          Cl  
HETATM   20  C   UNL     1       1.012   0.498   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1      -3.972   2.339   0.000  1.00  0.00          Cl  
HETATM   22  O   UNL     1       1.348   1.252   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1       1.497  -0.169   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       2.322  -0.169   0.000  1.00  0.00           C  
HETATM   25 CL   UNL     1      -1.114   2.339   0.000  1.00  0.00          Cl  
HETATM   26  C   UNL     1       2.735  -0.884   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.559  -0.884   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.972  -0.169   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.559   0.545   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.735   0.545   0.000  1.00  0.00           C  
CONECT    1    2    6   21                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   25                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   20                                            
CONECT   11   10    7                                                 
CONECT   12    8   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   18                                            
CONECT   18   17                                                      
CONECT   19   15                                                      
CONECT   20   10   22   23                                            
CONECT   21    1                                                      
CONECT   22   20                                                      
CONECT   23   20   24                                                 
CONECT   24   23   26   30                                            
CONECT   25    5                                                      
CONECT   26   24   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   24                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0TT4A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       2.143  -0.412   0.000  1.00  0.00           C  
HETATM    2  O   UNL     1       2.858   0.000   0.000  1.00  0.00           O  
HETATM    3  O   UNL     1       2.143  -1.238   0.000  1.00  0.00           O  
HETATM    4  C   UNL     1       1.429   0.000   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.715  -0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.000   0.000   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1      -0.715  -0.412   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1      -1.429   0.000   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.143   1.238   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.858   0.825   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.858   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.143  -0.412   0.000  1.00  0.00           C  
CONECT    1    2    3    4                                            
CONECT    2    1                                                      
CONECT    3    1                                                      
CONECT    4    1    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
MASTER        0    0    0    0    0    0    0    0   13    0   13    0
END
M  END

$$$$
D0TT7U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.015   1.564   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.812   1.350   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.026   0.554   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.442  -0.030   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.645   0.184   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.432   0.981   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.635   1.194   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.994   0.675   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.302   1.124   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.515   1.921   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.339   1.964   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.789   2.656   0.000  1.00  0.00           O  
HETATM   13  N   UNL     1       0.468   0.829   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.597   0.014   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.368  -0.282   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.009   0.237   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       1.880   1.052   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.109   1.348   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.779  -0.058   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.420   0.461   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       2.908  -0.873   0.000  1.00  0.00           O  
HETATM   22  N   UNL     1       4.217   0.247   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       4.666   0.939   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.147   1.580   0.000  1.00  0.00           C  
HETATM   25  S   UNL     1       3.377   1.285   0.000  1.00  0.00           S  
HETATM   26  C   UNL     1      -3.656  -0.827   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.453  -1.040   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.666  -1.837   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.083  -2.420   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.286  -2.207   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.072  -1.410   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.594  -2.656   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.953  -2.137   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1      -2.249  -1.367   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   26                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10    7   12                                            
CONECT   12   11                                                      
CONECT   13    9   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16   20   21                                            
CONECT   20   19   22   25                                            
CONECT   21   19                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26    4   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30   26   34                                            
CONECT   32   30   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   31                                                 
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0TU0X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072  -1.238   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072   0.412   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.072   1.238   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.357   1.650   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.357   1.238   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.357   2.475   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1       1.072   1.650   0.000  1.00  0.00           O  
HETATM   12  S   UNL     1       1.786   1.238   0.000  1.00  0.00           S  
HETATM   13  O   UNL     1       2.501   1.650   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.786   0.412   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.501  -1.238   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.072  -2.062   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.357  -2.475   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1      -1.786  -2.475   0.000  1.00  0.00           O  
HETATM   19  O   UNL     1       2.501   0.825   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       1.072   0.000   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.072  -0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.786  -1.238   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.501  -0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.501   0.000   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.784  -2.060   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   15                                            
CONECT    3    2    4   16                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13   14   19                                       
CONECT   13   12                                                      
CONECT   14   12   20   24                                            
CONECT   15    2                                                      
CONECT   16    3   17   18                                            
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19   12                                                      
CONECT   20   14   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   14                                                 
CONECT   25   22                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0TU3N
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.000   2.269   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.000   1.444   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.715   1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.429   1.444   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.429   2.269   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.715   2.681   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.143   1.031   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.858   1.444   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.858   2.269   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.143   2.681   0.000  1.00  0.00           C  
HETATM   11  S   UNL     1      -0.715   2.681   0.000  1.00  0.00           S  
HETATM   12  C   UNL     1      -1.429   2.269   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.143   2.681   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.858   2.269   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1      -2.143   3.506   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       0.715   3.506   0.000  1.00  0.00           O  
HETATM   17  N   UNL     1       0.715   0.206   0.000  1.00  0.00           N  
HETATM   18  S   UNL     1       1.429  -0.206   0.000  1.00  0.00           S  
HETATM   19  C   UNL     1       1.429  -1.031   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       2.143   0.206   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1       2.226  -0.420   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       0.715  -1.444   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.715  -2.269   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.429  -2.681   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.143  -2.269   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.143  -1.444   0.000  1.00  0.00           C  
HETATM   27 BR   UNL     1       1.429  -3.506   0.000  1.00  0.00          Br  
CONECT    1    2    6   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   17                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   16                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    1   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16    6                                                      
CONECT   17    3   18                                                 
CONECT   18   17   19   20   21                                       
CONECT   19   18   22   26                                            
CONECT   20   18                                                      
CONECT   21   18                                                      
CONECT   22   19   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   19                                                 
CONECT   27   24                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0TU5R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.014  -0.596   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.014  -1.418   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.302  -1.829   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.590  -1.418   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.590  -0.596   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.302  -0.185   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.122  -1.829   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.834  -1.418   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.834  -0.596   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.122  -0.185   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1       1.546  -0.185   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.258  -0.596   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.970  -0.185   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.682  -0.596   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.394  -0.185   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       5.106  -0.596   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.726  -0.185   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       2.258  -1.418   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       3.682  -1.418   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       4.394   0.637   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1      -2.812   0.633   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.616   0.804   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.027   0.092   0.000  1.00  0.00           C  
HETATM   24  S   UNL     1      -3.477  -0.519   0.000  1.00  0.00           S  
HETATM   25  C   UNL     1      -3.950   1.555   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.970  -1.829   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.970  -2.651   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.682  -3.062   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.394  -2.651   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.394  -1.829   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.465   2.222   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.801   2.976   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.621   3.062   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.106   2.395   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.771   1.641   0.000  1.00  0.00           C  
CONECT    1    2    6   17                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13   18                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16   20                                            
CONECT   16   15                                                      
CONECT   17    1   21   24                                            
CONECT   18   12                                                      
CONECT   19   14   26   30                                            
CONECT   20   15                                                      
CONECT   21   17   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   17                                                 
CONECT   25   22   31   35                                            
CONECT   26   19   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   19                                                 
CONECT   31   25   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   25                                                 
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0TU6D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.117   0.586   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.330  -0.211   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.362  -0.661   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.003  -0.141   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.707   0.629   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.827  -0.098   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.040   0.699   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.348   1.148   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.811   0.994   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       2.940   1.809   0.000  1.00  0.00           O  
HETATM   11  O   UNL     1       3.452   0.475   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       4.222   0.771   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.100  -0.507   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.741   0.012   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.698   0.836   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.468   1.132   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1      -2.988   0.491   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.538  -0.201   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.682   1.929   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.834  -0.972   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.649  -1.101   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.944  -1.871   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.425  -2.512   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.610  -2.383   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.315  -1.613   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.099   2.512   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.168  -0.459   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.872   0.311   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.392   0.952   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -5.206   0.823   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1      -5.502   0.053   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.983  -0.589   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.863   0.252   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1       4.346  -0.387   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1       5.502  -0.266   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1       5.380   0.890   0.000  1.00  0.00           F  
HETATM   37  C   UNL     1       4.351   1.586   0.000  1.00  0.00           C  
HETATM   38  F   UNL     1       5.163   1.457   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1       4.480   2.398   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1       3.539   1.714   0.000  1.00  0.00           F  
CONECT    1    2    5                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    1    8                                            
CONECT    6    4    7                                                 
CONECT    7    6    8    9                                            
CONECT    8    7    5                                                 
CONECT    9    7   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   12                                                 
CONECT   12   33   37   11                                            
CONECT   13    2   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   14   20                                            
CONECT   19   16   26                                                 
CONECT   20   18   21   25                                            
CONECT   21   20   22   27                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   19                                                      
CONECT   27   21   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   34   35   36   12                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
CONECT   37   38   39   40   12                                       
CONECT   38   37                                                      
CONECT   39   37                                                      
CONECT   40   37                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0TV4O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.070   0.614   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.070  -0.211   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.356  -0.623   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.359  -0.211   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.359   0.614   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.356   1.027   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.356   1.852   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.356  -1.448   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       1.073  -0.623   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.785   1.027   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.499   0.614   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1      -3.214   1.027   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       1.788  -0.211   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.502  -0.623   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.502  -1.448   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.216  -1.861   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.931  -1.448   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.931  -0.623   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.216  -0.211   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.216   0.614   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.502   1.027   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       2.502   1.852   0.000  1.00  0.00           O  
HETATM   23  O   UNL     1       1.788   0.614   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       1.073   1.027   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.931   1.027   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       4.645   0.614   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       5.360   1.027   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.931   0.614   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.645   1.027   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.360   0.614   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.305   1.861   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.591   1.448   0.000  1.00  0.00           C  
CONECT    1    2    6   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6                                                      
CONECT    8    3                                                      
CONECT    9    4   13                                                 
CONECT   10    1   11   31                                            
CONECT   11   10   12                                                 
CONECT   12   11   28                                                 
CONECT   13    9   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14   20                                            
CONECT   20   19   21   25                                            
CONECT   21   20   22   23                                            
CONECT   22   21                                                      
CONECT   23   21   24                                                 
CONECT   24   23                                                      
CONECT   25   20   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26                                                      
CONECT   28   12   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29                                                      
CONECT   31   10   32                                                 
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0TV9B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -7.145   1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.430   1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.716   1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.001   1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.287   1.444   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.572   1.031   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.858   1.444   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.143   1.031   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.429   1.444   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.715   1.031   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.000   1.444   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.715   1.031   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       1.429   1.444   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.858   2.269   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.716   2.269   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -5.001   0.206   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1      -4.287   2.269   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1      -2.143   0.206   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.715   0.206   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.429  -0.206   0.000  1.00  0.00           O  
HETATM   21  N   UNL     1       0.000  -0.206   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1       0.715   0.206   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1      -5.716  -0.206   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.287  -0.206   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.287  -1.031   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.572   0.206   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.001  -1.444   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.572  -1.444   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.716  -1.031   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.572  -2.269   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.287  -2.681   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -2.858  -2.681   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1      -2.858  -3.506   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1      -2.143  -2.269   0.000  1.00  0.00           C  
HETATM   35  S   UNL     1      -2.143  -1.444   0.000  1.00  0.00           S  
HETATM   36  S   UNL     1      -1.429  -1.031   0.000  1.00  0.00           S  
HETATM   37  C   UNL     1      -0.715  -1.444   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       0.000  -1.031   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       0.715  -1.444   0.000  1.00  0.00           C  
HETATM   40  O   UNL     1       0.715  -2.269   0.000  1.00  0.00           O  
HETATM   41  N   UNL     1       1.429  -1.031   0.000  1.00  0.00           N  
HETATM   42  C   UNL     1       2.143  -1.444   0.000  1.00  0.00           C  
HETATM   43  C   UNL     1       2.756  -0.892   0.000  1.00  0.00           C  
HETATM   44  C   UNL     1       2.421  -0.138   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1       1.601  -0.224   0.000  1.00  0.00           C  
HETATM   46  C   UNL     1       2.143  -2.269   0.000  1.00  0.00           C  
HETATM   47  O   UNL     1       1.429  -2.681   0.000  1.00  0.00           O  
HETATM   48  N   UNL     1       2.858  -2.681   0.000  1.00  0.00           N  
HETATM   49  C   UNL     1       3.572  -2.269   0.000  1.00  0.00           C  
HETATM   50  C   UNL     1       3.572  -1.444   0.000  1.00  0.00           C  
HETATM   51  C   UNL     1       4.287  -1.031   0.000  1.00  0.00           C  
HETATM   52  N   UNL     1       4.287  -0.206   0.000  1.00  0.00           N  
HETATM   53  C   UNL     1       4.287  -2.681   0.000  1.00  0.00           C  
HETATM   54  N   UNL     1       5.001  -2.269   0.000  1.00  0.00           N  
HETATM   55  C   UNL     1       5.716  -2.681   0.000  1.00  0.00           C  
HETATM   56  C   UNL     1       6.430  -2.269   0.000  1.00  0.00           C  
HETATM   57  O   UNL     1       6.430  -1.444   0.000  1.00  0.00           O  
HETATM   58  N   UNL     1       7.145  -2.681   0.000  1.00  0.00           N  
HETATM   59  C   UNL     1      -6.430   0.206   0.000  1.00  0.00           C  
HETATM   60  C   UNL     1      -7.145  -0.206   0.000  1.00  0.00           C  
HETATM   61  C   UNL     1      -7.145  -1.031   0.000  1.00  0.00           C  
HETATM   62  C   UNL     1      -6.430  -1.444   0.000  1.00  0.00           C  
HETATM   63  O   UNL     1       4.287  -3.506   0.000  1.00  0.00           O  
HETATM   64  C   UNL     1      -2.143   2.681   0.000  1.00  0.00           C  
HETATM   65  N   UNL     1      -2.143   3.506   0.000  1.00  0.00           N  
HETATM   66  O   UNL     1      -1.347   2.468   0.000  1.00  0.00           O  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4   15                                            
CONECT    4    3    5   16                                            
CONECT    5    4    6   17                                            
CONECT    6    5    7                                                 
CONECT    7    6    8   14                                            
CONECT    8    7    9   18                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   19                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   22                                            
CONECT   13   12                                                      
CONECT   14    7   64                                                 
CONECT   15    3                                                      
CONECT   16    4   24                                                 
CONECT   17    5                                                      
CONECT   18    8                                                      
CONECT   19   10   20   21                                            
CONECT   20   19                                                      
CONECT   21   19   38                                                 
CONECT   22   12                                                      
CONECT   23   29   59                                                 
CONECT   24   16   25   26                                            
CONECT   25   24   27   28                                            
CONECT   26   24                                                      
CONECT   27   25   29                                                 
CONECT   28   25   30                                                 
CONECT   29   27   23   62                                            
CONECT   30   28   31   32                                            
CONECT   31   30                                                      
CONECT   32   30   33   34                                            
CONECT   33   32                                                      
CONECT   34   32   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   21   39                                            
CONECT   39   38   40   41                                            
CONECT   40   39                                                      
CONECT   41   39   42   45                                            
CONECT   42   41   43   46                                            
CONECT   43   42   44                                                 
CONECT   44   43   45                                                 
CONECT   45   44   41                                                 
CONECT   46   42   47   48                                            
CONECT   47   46                                                      
CONECT   48   46   49                                                 
CONECT   49   48   50   53                                            
CONECT   50   49   51                                                 
CONECT   51   50   52                                                 
CONECT   52   51                                                      
CONECT   53   49   54   63                                            
CONECT   54   53   55                                                 
CONECT   55   54   56                                                 
CONECT   56   55   57   58                                            
CONECT   57   56                                                      
CONECT   58   56                                                      
CONECT   59   23   60                                                 
CONECT   60   59   61                                                 
CONECT   61   60   62                                                 
CONECT   62   61   29                                                 
CONECT   63   53                                                      
CONECT   64   14   65   66                                            
CONECT   65   64                                                      
CONECT   66   64                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
M  END

$$$$
D0TV9G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.082   2.185   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.693   1.635   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.359   0.883   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.459   0.969   0.000  1.00  0.00           N  
HETATM    5  N   UNL     1       0.630   1.774   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       1.381   2.108   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1       1.467   2.926   0.000  1.00  0.00           F  
HETATM    8  F   UNL     1       2.046   1.625   0.000  1.00  0.00           F  
HETATM    9  C   UNL     1      -0.770   0.172   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.359  -0.540   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.770  -1.252   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.592   0.172   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.587  -1.339   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.758  -2.143   0.000  1.00  0.00           N  
HETATM   15  N   UNL     1      -1.046  -2.554   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.435  -2.004   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.509  -2.477   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.369  -2.175   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       0.703  -2.926   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.521  -2.840   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.692  -2.035   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.980  -1.624   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       0.894  -0.807   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       2.175  -1.370   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.509  -2.121   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    1    6                                            
CONECT    6    5    7    8                                            
CONECT    7    6                                                      
CONECT    8    6                                                      
CONECT    9    3   10   12                                            
CONECT   10    9   11                                                 
CONECT   11   10   13   16                                            
CONECT   12    9                                                      
CONECT   13   11   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   11   18                                            
CONECT   17   14                                                      
CONECT   18   16   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24   25                                       
CONECT   22   21   18   23                                            
CONECT   23   22                                                      
CONECT   24   21                                                      
CONECT   25   21                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0TW7K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.680   1.709   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.477   1.496   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.691   0.699   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.107   0.115   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.310   0.329   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.097   1.126   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.300   1.339   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.341   0.820   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.033   1.270   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.820   2.066   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.004   2.110   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.454   2.801   0.000  1.00  0.00           O  
HETATM   13  N   UNL     1       1.803   0.974   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.932   0.159   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.703  -0.137   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.344   0.383   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.215   1.197   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.445   1.493   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.114   0.087   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.755   0.606   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       4.243  -0.728   0.000  1.00  0.00           O  
HETATM   22  N   UNL     1       5.552   0.393   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       6.001   1.085   0.000  1.00  0.00           C  
HETATM   24  S   UNL     1       5.482   1.726   0.000  1.00  0.00           S  
HETATM   25  C   UNL     1       4.712   1.430   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.169   1.945   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.810   1.426   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.514   0.656   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.964  -0.036   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.788   0.007   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.237  -0.685   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.862  -1.420   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.039  -1.463   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.589  -0.771   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.312  -2.112   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1      -6.001  -1.664   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -5.760  -2.801   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1      -4.622  -2.560   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3   26                                            
CONECT    3    2    4   28                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10    7   12                                            
CONECT   12   11                                                      
CONECT   13    9   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16   20   21                                            
CONECT   20   19   22   25                                            
CONECT   21   19                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26    2   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27    3   29                                            
CONECT   29   28   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   35   31   33                                            
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   36   37   38   32                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0TX1S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.129  -0.712   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.129  -1.536   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.414  -1.949   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.700  -1.536   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.700  -0.712   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.414  -0.299   0.000  1.00  0.00           C  
HETATM    7  F   UNL     1      -5.843  -0.299   0.000  1.00  0.00           F  
HETATM    8  F   UNL     1      -4.414  -2.774   0.000  1.00  0.00           F  
HETATM    9  S   UNL     1      -2.986  -0.299   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1      -2.271  -0.712   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.271  -1.536   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.556  -1.949   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.842  -1.536   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.842  -0.712   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.556  -0.299   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.057  -1.791   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       0.427  -1.124   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.057  -0.457   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       0.198   0.328   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       1.004   0.500   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.556  -0.114   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       1.259   1.284   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       1.556  -0.939   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.271  -1.351   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.986  -0.939   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.986  -0.114   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.271   0.299   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1       2.271   1.124   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1       2.986   1.536   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.700   1.124   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.414   1.536   0.000  1.00  0.00           C  
HETATM   32  O   UNL     1       4.414   2.361   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       3.700   2.774   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.986   2.361   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1       3.700  -1.351   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1       3.700  -2.176   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.414  -2.588   0.000  1.00  0.00           C  
HETATM   38  N   UNL     1       5.129  -2.176   0.000  1.00  0.00           N  
HETATM   39  C   UNL     1       5.129  -1.351   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       4.414  -0.939   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       5.843  -2.588   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    8                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    3                                                      
CONECT    9    5   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   18                                            
CONECT   15   14   10                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   14   19                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   23   27                                            
CONECT   22   20                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   35                                            
CONECT   26   25   27                                                 
CONECT   27   26   21   28                                            
CONECT   28   27   29                                                 
CONECT   29   28   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   25   36   40                                            
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39   41                                            
CONECT   39   38   40                                                 
CONECT   40   39   35                                                 
CONECT   41   38                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
M  END

$$$$
D0TX2G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.429  -1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.429  -1.856   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       2.143  -2.269   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       2.858  -1.856   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       2.858  -1.031   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       2.143  -0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.644  -0.776   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.159  -1.444   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.644  -2.111   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1       2.143   0.206   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       2.858   0.619   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.429   0.619   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.429   1.444   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.714   1.856   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.000   1.444   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.000   0.619   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.714   0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.143   1.856   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.714   0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.429   0.619   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.858   0.619   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.143  -0.619   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1      -0.714  -0.619   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.429   1.444   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.429   2.269   0.000  1.00  0.00           N  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   10                                            
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    6   11   12                                            
CONECT   11   10                                                      
CONECT   12   13   17   10                                            
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   12                                                 
CONECT   18   13                                                      
CONECT   19   16   20   24                                            
CONECT   20   19   21   25                                            
CONECT   21   20   22   23                                            
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24   19                                                      
CONECT   25   20   26                                                 
CONECT   26   25                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0TX9E
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.899  -1.281   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.729  -2.088   0.000  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.993  -2.459   0.000  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.243  -2.115   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.045  -1.314   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.548  -0.660   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.373  -0.645   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.717   0.105   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.699  -1.083   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.271  -1.677   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.042  -2.470   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.526  -2.302   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.943  -2.885   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       0.393  -2.641   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       0.762  -1.145   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.020  -0.361   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.827  -0.192   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.085   0.592   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.535   1.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.727   1.037   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.470   0.254   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.493  -0.679   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.162  -0.192   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.910   0.592   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.421   1.345   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.395   1.258   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.220   1.257   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       4.477   2.041   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       3.810   2.527   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.142   2.041   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.893  -1.580   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.477  -0.997   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       1.265   1.494   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1      -0.102   1.823   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       0.681   2.077   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       0.854   2.885   0.000  1.00  0.00           C  
CONECT    1    2    7    9                                            
CONECT    2    1    3   12   13                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   14                                            
CONECT    5    4    6   15                                            
CONECT    6    5    7                                                 
CONECT    7    6    1    8                                            
CONECT    8    7                                                      
CONECT    9    1   10                                                 
CONECT   10    9   11   31                                            
CONECT   11   10                                                      
CONECT   12    2                                                      
CONECT   13    2                                                      
CONECT   14    4                                                      
CONECT   15    5   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18   22                                            
CONECT   18   17   19   24   25                                       
CONECT   19   18   20   33                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   17   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   18   26                                            
CONECT   25   18                                                      
CONECT   26   24   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   26                                                 
CONECT   31   10   32                                                 
CONECT   32   31                                                      
CONECT   33   19   35                                                 
CONECT   34   35                                                      
CONECT   35   33   34   36                                            
CONECT   36   35                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END

$$$$

$$$$

$$$$
D0TY8S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.992  -1.783   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.992  -2.608   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.278  -3.021   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.563  -2.608   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.563  -1.783   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.278  -1.371   0.000  1.00  0.00           N  
HETATM    7 CL   UNL     1      -5.707  -3.021   0.000  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -2.849  -1.371   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.134  -1.783   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.420  -1.371   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.706  -1.783   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.009  -1.371   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.009  -0.546   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.706  -0.133   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.420  -0.546   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.723  -0.133   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.438  -0.546   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.152  -0.133   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.152   0.692   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.438   1.104   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.723   0.692   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.867   1.104   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1      -0.706   0.692   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       3.664   0.891   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.113   1.583   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.594   2.224   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.824   1.928   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.409   2.353   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.380   3.021   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       4.910   1.369   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       5.707   1.583   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2                                                      
CONECT    8    5    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15   23                                            
CONECT   15   14   10                                                 
CONECT   16   13   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20   16                                                 
CONECT   22   19   24   27                                            
CONECT   23   14                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26   28   30                                       
CONECT   26   25   27   28   29                                       
CONECT   27   26   22                                                 
CONECT   28   25   26                                                 
CONECT   29   26                                                      
CONECT   30   25   31                                                 
CONECT   31   30                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0TZ2W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.702   0.339   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.988  -0.074   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.273   0.339   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.441  -0.074   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.156   0.339   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.870  -0.074   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.585   0.339   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.870  -0.899   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.585  -1.311   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.299  -0.899   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.299  -0.074   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       4.014   0.339   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       4.014   1.164   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       3.299   1.576   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.585   1.164   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.156   1.164   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       0.441  -0.899   0.000  1.00  0.00           O  
HETATM   18 CL   UNL     1       3.299   2.401   0.000  1.00  0.00          Cl  
HETATM   19  C   UNL     1      -1.915   1.136   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.739   1.179   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.035   0.409   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1      -2.394  -0.110   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.394  -0.935   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.108  -1.348   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.108  -2.173   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.394  -2.585   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.679  -2.173   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.679  -1.348   0.000  1.00  0.00           C  
HETATM   29 CL   UNL     1      -0.965  -2.585   0.000  1.00  0.00          Cl  
HETATM   30  C   UNL     1      -3.189   1.871   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -3.601   2.585   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -4.014   1.871   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -2.776   2.585   0.000  1.00  0.00           F  
CONECT    1    2   19   22                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   17                                            
CONECT    5    4    6   16                                            
CONECT    6    5    7    8                                            
CONECT    7    6   11   15                                            
CONECT    8    6    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    7   12                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14    7                                                 
CONECT   16    5                                                      
CONECT   17    4                                                      
CONECT   18   14                                                      
CONECT   19    1   20                                                 
CONECT   20   19   21   30                                            
CONECT   21   20   22                                                 
CONECT   22   21    1   23                                            
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   23                                                 
CONECT   29   27                                                      
CONECT   30   20   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0TZ6J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.982  -2.829   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.267  -3.241   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.553  -2.829   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.553  -2.004   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.267  -1.591   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.982  -2.004   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -6.696  -3.241   0.000  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -3.838  -1.591   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.124  -2.004   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.409  -1.591   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.409  -0.766   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.124  -0.354   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.838  -0.766   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.695  -0.354   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.980  -0.766   0.000  1.00  0.00           N  
HETATM   16  O   UNL     1      -1.695   0.471   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.266  -0.354   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.449  -0.766   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.163  -0.354   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.163   0.471   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.449   0.884   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.266   0.471   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       1.878  -0.766   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       2.592  -0.354   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.592   0.471   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       1.878   0.884   0.000  1.00  0.00           N  
HETATM   27  N   UNL     1       3.306   0.884   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       4.021   0.471   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.735   0.884   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.735   1.709   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       4.021   2.121   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.306   1.709   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       5.450   2.121   0.000  1.00  0.00           N  
HETATM   34  C   UNL     1       6.247   1.908   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       6.696   2.600   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       6.177   3.241   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       5.407   2.945   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    4    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   14                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   11   15   16                                            
CONECT   15   14   17                                                 
CONECT   16   14                                                      
CONECT   17   15   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21   26                                            
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   19   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   20                                                 
CONECT   27   25   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   30   34   37                                            
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   33                                                 
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0U0CC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.194  -0.208   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.194  -1.033   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.480  -1.445   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.766  -1.033   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.766  -0.208   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.480   0.205   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.051  -1.445   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.337  -1.033   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.337  -0.208   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.051   0.205   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.622   0.205   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.622   1.030   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.337   1.442   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.051   1.030   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.838  -0.050   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.353   0.617   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.838   1.285   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -5.909  -1.445   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.051  -2.270   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.622  -1.445   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.337  -2.683   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.583   2.070   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.135   2.683   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.224   2.241   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.776   1.628   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.583   1.799   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       2.196   1.247   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.766   0.617   0.000  1.00  0.00           C  
HETATM   29  H   UNL     1      -3.766  -1.858   0.000  1.00  0.00           H  
HETATM   30  C   UNL     1      -1.536   1.850   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       1.797   2.596   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       3.022   1.247   0.000  1.00  0.00           C  
HETATM   33  N   UNL     1       3.434   0.533   0.000  1.00  0.00           N  
HETATM   34  N   UNL     1       3.434   1.962   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       4.259   0.533   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.671  -0.181   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       5.497  -0.181   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       5.909   0.533   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       5.497   1.247   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       4.671   1.247   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7   29                                       
CONECT    5    4    6   10   28                                       
CONECT    6    5    1                                                 
CONECT    7    4    8   19                                            
CONECT    8    7    9   20                                            
CONECT    9    8   10   11                                            
CONECT   10    9    5   14                                            
CONECT   11    9   12   15                                            
CONECT   12   11   13   17   30                                       
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12   22                                            
CONECT   18    2                                                      
CONECT   19    7   21                                                 
CONECT   20    8                                                      
CONECT   21   19                                                      
CONECT   22   17   23   24                                            
CONECT   23   22                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   31                                            
CONECT   27   26   32                                                 
CONECT   28    5                                                      
CONECT   29    4                                                      
CONECT   30   12                                                      
CONECT   31   26                                                      
CONECT   32   27   33   34                                            
CONECT   33   32   35                                                 
CONECT   34   32                                                      
CONECT   35   33   36   40                                            
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   39                                                 
CONECT   39   38   40                                                 
CONECT   40   39   35                                                 
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
M  END

$$$$
D0U0IH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.580  -0.515   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.580  -1.340   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.865  -1.753   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.151  -1.340   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.151  -0.515   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.865  -0.103   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.366  -1.595   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.119  -0.928   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.366  -0.260   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.939  -0.841   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.275  -0.088   0.000  1.00  0.00           C  
HETATM   12  S   UNL     1       0.790   0.580   0.000  1.00  0.00           S  
HETATM   13  C   UNL     1      -0.031   0.494   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.424  -1.509   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.244  -1.423   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.580  -0.669   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.095  -0.001   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.516   1.161   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.180   1.915   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.665   2.582   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.330   3.336   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.640   2.001   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.976   2.755   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.336   1.075   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.111  -2.380   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.696  -2.551   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1       0.950  -3.336   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   25                                            
CONECT    8    7    9   10                                            
CONECT    9    8    5   13                                            
CONECT   10    8   11   14                                            
CONECT   11   10   12   17                                            
CONECT   12   11   13                                                 
CONECT   13   12    9   18                                            
CONECT   14   10   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   11                                                 
CONECT   18   13   19   24                                            
CONECT   19   18   20   22                                            
CONECT   20   19   21                                                 
CONECT   21   20                                                      
CONECT   22   19   23                                                 
CONECT   23   22                                                      
CONECT   24   18                                                      
CONECT   25    7   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0U0MZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.800  -1.077   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.945  -1.890   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.314  -2.421   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.538  -2.140   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.394  -1.328   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.025  -0.796   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.993  -2.760   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.169  -2.720   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.687  -2.051   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.909  -1.256   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.669  -0.934   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.669  -0.109   0.000  1.00  0.00           O  
HETATM   13  N   UNL     1      -2.880   0.016   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.289  -0.711   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.140  -0.711   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.140   0.114   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.425   0.526   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.289   0.114   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.924  -0.966   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.409  -0.299   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       1.924   0.369   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       0.425  -1.124   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.138   1.166   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.935   1.379   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.148   2.176   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.565   2.760   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.768   2.546   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.554   1.749   0.000  1.00  0.00           C  
HETATM   29 CL   UNL     1       3.945   2.390   0.000  1.00  0.00          Cl  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1   13                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10    5   12                                            
CONECT   12   11                                                      
CONECT   13    6                                                      
CONECT   14   10   18   22                                            
CONECT   15   16   19   22                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   14                                                 
CONECT   19   15   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16   23                                            
CONECT   22   14   15                                                 
CONECT   23   21   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   25                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0U0QQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.570  -0.818   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       2.367  -1.032   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.951  -0.449   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.737   0.348   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.940   0.562   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.357  -0.021   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.566   1.297   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1       0.751   1.168   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1       0.622   0.353   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.093  -0.059   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.807   0.353   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1      -0.093  -0.884   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.522  -0.059   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.807   1.178   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.236   0.353   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.951  -0.059   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.951  -0.884   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.236  -1.297   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.522  -0.884   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1    9                                            
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    6   10                                            
CONECT   10    9   11   12                                            
CONECT   11   10   13   14                                            
CONECT   12   10                                                      
CONECT   13   11   15   19                                            
CONECT   14   11                                                      
CONECT   15   13   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   13                                                 
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D0U1DY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.858   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.858  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.429   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.143   0.825   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.714  -0.825   0.000  1.00  0.00           O  
HETATM    8  N   UNL     1      -0.714   0.825   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.000   0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.714   0.825   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       0.000  -0.412   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       2.143   0.825   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1       1.429  -0.412   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       2.858   0.412   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    4                                                      
CONECT    8    5    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   12                                                 
CONECT   11    9                                                      
CONECT   12   10   13   14                                            
CONECT   13   12   15                                                 
CONECT   14   12                                                      
CONECT   15   13                                                      
MASTER        0    0    0    0    0    0    0    0   15    0   15    0
END
M  END

$$$$
D0U1HA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.500  -1.991   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.500  -2.816   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.786  -3.229   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.071  -2.816   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.071  -1.991   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.786  -1.579   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.285  -1.736   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.770  -2.404   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.285  -3.071   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.643  -3.229   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.730  -4.049   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       1.537  -4.221   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       1.949  -3.506   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.397  -2.893   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.770  -3.420   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.786  -0.754   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.118  -0.269   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.373   0.516   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1      -1.198   0.516   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.453  -0.269   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.112   1.183   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.927   1.312   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       0.798   2.127   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.017   1.998   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.690   1.376   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.925   2.167   0.000  1.00  0.00           C  
HETATM   27  F   UNL     1      -1.727   2.359   0.000  1.00  0.00           F  
HETATM   28  S   UNL     1       1.283   2.794   0.000  1.00  0.00           S  
HETATM   29  O   UNL     1       1.974   2.345   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       0.591   3.244   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       1.695   3.509   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1       2.407   3.098   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       2.106   4.221   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       0.983   3.920   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   16                                            
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    4   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13   10                                                 
CONECT   15   13                                                      
CONECT   16    6   17   20                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   16                                                 
CONECT   21   18   22   24   25                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   21                                                 
CONECT   25   21   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26                                                      
CONECT   28   31   23   29   30                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   32   33   34   28                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0U2CK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNK A   1      -5.715  -1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNK A   1      -5.715  -2.062   0.000  1.00  0.00           C  
HETATM    3  C   UNK A   1      -5.000  -2.475   0.000  1.00  0.00           C  
HETATM    4  C   UNK A   1      -4.286  -2.062   0.000  1.00  0.00           C  
HETATM    5  C   UNK A   1      -4.286  -1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNK A   1      -5.000  -0.825   0.000  1.00  0.00           C  
HETATM    7  S   UNK A   1      -3.571  -2.475   0.000  1.00  0.00           S  
HETATM    8  C   UNK A   1      -2.857  -2.062   0.000  1.00  0.00           C  
HETATM    9  C   UNK A   1      -2.142  -2.475   0.000  1.00  0.00           C  
HETATM   10  C   UNK A   1      -1.428  -2.062   0.000  1.00  0.00           C  
HETATM   11  C   UNK A   1      -1.428  -1.238   0.000  1.00  0.00           C  
HETATM   12  C   UNK A   1      -2.142  -0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNK A   1      -2.857  -1.238   0.000  1.00  0.00           C  
HETATM   14  N   UNK A   1      -0.713  -2.475   0.000  1.00  0.00           N  
HETATM   15  C   UNK A   1       0.001  -2.062   0.000  1.00  0.00           C  
HETATM   16  C   UNK A   1       0.001  -1.238   0.000  1.00  0.00           C  
HETATM   17  C   UNK A   1      -0.713  -0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNK A   1       0.716  -0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNK A   1       1.430  -1.238   0.000  1.00  0.00           C  
HETATM   20  C   UNK A   1       2.145  -0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNK A   1       2.859  -1.238   0.000  1.00  0.00           C  
HETATM   22  C   UNK A   1       3.574  -0.825   0.000  1.00  0.00           C  
HETATM   23  C   UNK A   1       4.288  -1.238   0.000  1.00  0.00           C  
HETATM   24  S   UNK A   1      -0.713   0.000   0.000  1.00  0.00           S  
HETATM   25  F   UNK A   1      -3.571  -0.825   0.000  1.00  0.00           F  
HETATM   26  C   UNK A   1       0.001   0.412   0.000  1.00  0.00           C  
HETATM   27  C   UNK A   1       0.001   1.238   0.000  1.00  0.00           C  
HETATM   28  C   UNK A   1       0.716   1.650   0.000  1.00  0.00           C  
HETATM   29  O   UNK A   1       0.716   2.475   0.000  1.00  0.00           O  
ATOM     30  N   GLY A   2       1.430   1.238   0.000  1.00  0.00           N  
ATOM     31  CA  GLY A   2       2.145   1.650   0.000  1.00  0.00           C  
HETATM   32  N   UNK A   1      -0.713   1.650   0.000  1.00  0.00           N  
HETATM   33  C   UNK A   1      -1.428   1.238   0.000  1.00  0.00           C  
HETATM   34  C   UNK A   1      -2.142   1.650   0.000  1.00  0.00           C  
HETATM   35  O   UNK A   1      -1.428   0.412   0.000  1.00  0.00           O  
HETATM   36  C   UNK A   1      -2.857   1.238   0.000  1.00  0.00           C  
HETATM   37  C   UNK A   1      -3.571   1.650   0.000  1.00  0.00           C  
HETATM   38  N   UNK A   1      -3.571   2.475   0.000  1.00  0.00           N  
HETATM   39  O   UNK A   1       2.145   0.000   0.000  1.00  0.00           O  
HETATM   40  O   UNK A   1       3.574   0.000   0.000  1.00  0.00           O  
HETATM   41  C   UNK A   1       5.003  -0.825   0.000  1.00  0.00           C  
HETATM   42  O   UNK A   1       5.003  -0.003   0.000  1.00  0.00           O  
HETATM   43  O   UNK A   1       5.715  -1.236   0.000  1.00  0.00           O  
ATOM     44  C   GLY A   2       2.859   1.238   0.000  1.00  0.00           C  
ATOM     45  O   GLY A   2       3.571   1.649   0.000  1.00  0.00           O  
ATOM     46  OXT GLY A   2       2.859   0.415   0.000  1.00  0.00           O  
HETATM   47  C   UNK A   1      -4.286   1.238   0.000  1.00  0.00           C  
HETATM   48  O   UNK A   1      -4.286   0.415   0.000  1.00  0.00           O  
HETATM   49  O   UNK A   1      -4.998   1.649   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12   17                                            
CONECT   12   11   13                                                 
CONECT   13   12    8   25                                            
CONECT   14   10   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   11   24                                            
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   39                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   40                                            
CONECT   23   41   22                                                 
CONECT   24   17   26                                                 
CONECT   25   13                                                      
CONECT   26   24   27                                                 
CONECT   27   26   28   32                                            
CONECT   28   27   29   30                                            
CONECT   29   28                                                      
CONECT   30   28   31                                                 
CONECT   31   44   30                                                 
CONECT   32   27   33                                                 
CONECT   33   32   34   35                                            
CONECT   34   33   36                                                 
CONECT   35   33                                                      
CONECT   36   34   37                                                 
CONECT   37   47   36   38                                            
CONECT   38   37                                                      
CONECT   39   20                                                      
CONECT   40   22                                                      
CONECT   41   42   43   23                                            
CONECT   42   41                                                      
CONECT   43   41                                                      
CONECT   44   45   46   31                                            
CONECT   45   44                                                      
CONECT   46   44                                                      
CONECT   47   48   49   37                                            
CONECT   48   47                                                      
CONECT   49   47                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
M  END

$$$$
D0U2EG
  -OEChem-09301911182D

 54 57  0     1  0  0  0  0  0999 V2000
    3.5443   -2.1354    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.8141    2.8811    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.4610    1.6235    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.5565    2.2342    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2900   -2.8016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7985   -1.4691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6060    0.7649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9160   -0.8136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9434   -0.3990    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.4160    0.7252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2260    0.7649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5927   -0.9279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2404    0.3697    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2250    0.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5384    1.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6010   -1.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6215   -1.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9160   -0.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6070    0.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8607    2.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5141    1.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9207   -0.1873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2310   -1.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5916    0.3697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2105   -1.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8886   -0.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9113   -0.1873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2034    0.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8780   -2.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5700   -0.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8754    0.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5087    1.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8456    0.5044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9335    1.1884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0710   -1.9201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8273   -2.1756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6399   -2.0094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2352   -1.4775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167    2.4798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4406    2.5155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4048    1.6394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500    0.9385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1190    1.6794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3782    2.1484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4294   -2.1858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4068    0.9615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2970   -0.2712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8873   -0.8069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4156   -2.4680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4649   -3.3434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3403   -3.2942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9867   -1.1753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4813    0.3673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1 25  1  0  0  0  0
  1 29  1  0  0  0  0
  2 32  1  0  0  0  0
  3 32  1  0  0  0  0
  4 32  1  0  0  0  0
  7 27  1  0  0  0  0
  7 54  1  0  0  0  0
  8 14  1  0  0  0  0
  8 16  1  0  0  0  0
  8 18  1  0  0  0  0
  9 13  1  0  0  0  0
  9 17  1  0  0  0  0
  9 22  1  0  0  0  0
 10 14  2  0  0  0  0
 10 19  1  0  0  0  0
 11 22  1  0  0  0  0
 11 28  2  0  0  0  0
 12 22  2  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  1  0  0  0
 13 33  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 23 25  2  0  0  0  0
 23 45  1  0  0  0  0
 24 26  2  0  0  0  0
 24 46  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 28 31  1  0  0  0  0
 28 32  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
 29 51  1  0  0  0  0
 30 31  2  0  0  0  0
 30 52  1  0  0  0  0
 31 53  1  0  0  0  0
M  END

$$$$
D0U2GJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.812   2.219   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.812   1.393   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.597   1.139   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.082   1.806   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       1.597   2.473   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.098   2.631   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.617   2.219   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.617   1.393   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.098   0.981   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -1.331   0.981   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.085   1.317   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.637   0.703   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.224  -0.011   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.417   0.161   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.804  -0.392   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.219  -1.105   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.809  -1.821   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.016  -1.823   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.431  -1.110   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.021  -0.394   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       1.378  -0.434   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       1.852   0.354   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.852  -0.981   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.637  -0.726   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1       2.637   0.099   0.000  1.00  0.00           N  
HETATM   26  F   UNL     1       1.256  -1.110   0.000  1.00  0.00           F  
HETATM   27  C   UNL     1       1.852  -1.806   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.567  -2.219   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.138  -2.219   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.852  -2.631   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -1.275  -0.898   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -0.561  -1.310   0.000  1.00  0.00           C  
CONECT    1    2    5    6                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   22                                            
CONECT    4    3    5                                                 
CONECT    5    4    1                                                 
CONECT    6    1    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    2                                                 
CONECT   10    8   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10   15                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17   31                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   26                                            
CONECT   20   19   15                                                 
CONECT   21   22   23                                                 
CONECT   22    3   21   25                                            
CONECT   23   21   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   22                                                 
CONECT   26   19                                                      
CONECT   27   23   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
CONECT   31   16   32                                                 
CONECT   32   31                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0U2JU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.701   0.351   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.701  -0.474   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.987  -0.887   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.273  -0.474   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.273   0.351   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.987   0.763   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.488  -0.729   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.003  -0.062   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.488   0.606   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.178  -0.062   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.234   0.653   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.234  -0.776   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.101  -1.530   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.512  -2.082   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       1.226  -1.669   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.055  -0.862   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       1.638  -0.279   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.060   0.653   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.472   1.367   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       2.297   1.367   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.709   2.082   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.051  -1.669   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.464  -0.955   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       3.289  -0.955   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       3.701  -0.240   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11   12                                            
CONECT   11   10   18                                                 
CONECT   12   10   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   22                                            
CONECT   16   15   12   17                                            
CONECT   17   16                                                      
CONECT   18   11   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20                                                      
CONECT   22   15   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0U2LO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.176  -1.016   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.176  -1.841   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.462  -2.254   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.747  -1.841   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.747  -1.016   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.462  -0.604   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.963  -2.096   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -0.478  -1.429   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.963  -0.761   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.462   0.221   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.963  -2.921   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.248  -3.333   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.677  -3.333   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.708   0.024   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.099   0.195   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.354   0.980   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.198   1.593   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.005   1.421   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.260   0.637   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       0.057   2.377   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       0.864   2.549   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.416   1.936   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1       1.119   3.333   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       2.223   2.107   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.775   1.494   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.582   1.666   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.837   2.450   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.285   3.063   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.478   2.892   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.176   0.634   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.176   1.459   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.891   0.221   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.716   0.221   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.303  -0.493   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       4.132   1.055   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1       4.716   1.638   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1       4.716   0.472   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1       3.549   0.472   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8    5   14                                            
CONECT   10    6   30                                                 
CONECT   11    7   12   13                                            
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14    9   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   24                                                 
CONECT   23   21                                                      
CONECT   24   22   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   35                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   10   31   32                                            
CONECT   31   30                                                      
CONECT   32   30   33   34                                            
CONECT   33   32   34                                                 
CONECT   34   33   32                                                 
CONECT   35   26   36   37   38                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0U2SI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.882  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.882  -1.031   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.168  -1.444   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.546  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.546  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.168   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.528   0.308   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.332   0.124   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.690  -0.619   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.332  -1.362   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.528  -1.546   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.261  -1.444   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.261  -2.269   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.975  -2.681   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.690  -2.269   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.690  -1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.975  -1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.261   0.206   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       2.015  -0.129   0.000  1.00  0.00           N  
HETATM   20  N   UNL     1       2.567   0.484   0.000  1.00  0.00           N  
HETATM   21  N   UNL     1       2.154   1.198   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1       1.347   1.027   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.168   1.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.546   1.444   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.546   2.269   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.168   2.681   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.882   2.269   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.882   1.444   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   12                                            
CONECT    5    4    6   18                                            
CONECT    6    5    1   23                                            
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    2                                                 
CONECT   12    4   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    5   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   18                                                 
CONECT   23    6   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
M  END

$$$$
D0U2WQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143  -1.499   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -2.324   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.428  -2.736   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.714  -2.324   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.714  -1.499   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.428  -1.087   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.857  -2.736   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.571  -2.324   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.286  -2.736   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.000  -2.324   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.001  -1.087   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.715  -1.499   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.430  -1.087   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.430  -0.262   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.715   0.151   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.001  -0.262   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.144  -1.499   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       0.715   0.976   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.144   0.151   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.859  -0.262   0.000  1.00  0.00           N  
HETATM   21  O   UNL     1       2.144   0.976   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       1.430   1.389   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.430   2.213   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.715   2.626   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.001   2.213   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.001   1.389   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.715   3.451   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.573   0.151   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.288  -0.262   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.002   0.151   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.002   0.976   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.288   1.389   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.573   0.976   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.716  -2.736   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1      -5.304  -3.451   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1      -6.431  -3.149   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -6.129  -2.022   0.000  1.00  0.00           F  
HETATM   38  C   UNL     1      -0.715  -0.674   0.000  1.00  0.00           C  
HETATM   39  F   UNL     1      -0.302   0.041   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1      -0.000  -1.087   0.000  1.00  0.00           F  
HETATM   41  F   UNL     1      -1.127  -1.389   0.000  1.00  0.00           F  
HETATM   42  O   UNL     1       5.716   1.389   0.000  1.00  0.00           O  
HETATM   43  C   UNL     1       6.431   0.976   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   11                                            
CONECT    6    5    1                                                 
CONECT    7    2    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   34                                                 
CONECT   11    5   12   16   38                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15   19                                            
CONECT   15   14   16   18                                            
CONECT   16   15   11                                                 
CONECT   17   13                                                      
CONECT   18   15   22   26                                            
CONECT   19   14   20   21                                            
CONECT   20   19   28                                                 
CONECT   21   19                                                      
CONECT   22   18   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25   18                                                 
CONECT   27   24                                                      
CONECT   28   20   29   33                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   42                                            
CONECT   32   31   33                                                 
CONECT   33   32   28                                                 
CONECT   34   10   35   36   37                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
CONECT   38   11   39   40   41                                       
CONECT   39   38                                                      
CONECT   40   38                                                      
CONECT   41   38                                                      
CONECT   42   31   43                                                 
CONECT   43   42                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
M  END

$$$$
D0U2YE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  O   UNL     1       0.887  -0.060   0.000  1.00  0.00           O  
HETATM    2  C   UNL     1       0.173  -0.472   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.344  -1.279   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.165  -1.365   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.500  -0.612   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.624  -0.686   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.339  -0.273   0.000  1.00  0.00           O  
HETATM    8  O   UNL     1       1.165  -2.191   0.000  1.00  0.00           O  
HETATM    9  N   UNL     1       2.215  -0.199   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       2.969  -0.535   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.521   0.078   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.108   0.793   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.301   0.621   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.363   1.577   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       2.811   2.191   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       2.004   2.019   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.749   1.234   0.000  1.00  0.00           N  
HETATM   18  N   UNL     1       4.170   1.749   0.000  1.00  0.00           N  
HETATM   19  P   UNL     1      -2.135  -0.487   0.000  1.00  0.00           P  
HETATM   20  O   UNL     1       0.131  -2.076   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.548  -1.201   0.000  1.00  0.00           C  
HETATM   22  P   UNL     1      -3.373  -1.201   0.000  1.00  0.00           P  
HETATM   23  O   UNL     1      -2.548   0.228   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.723  -1.201   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.785  -1.916   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1      -3.587  -0.404   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.170  -0.988   0.000  1.00  0.00           O  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4   20                                            
CONECT    4    3    5    8                                            
CONECT    5    4    1    9                                            
CONECT    6    2    7                                                 
CONECT    7    6   19                                                 
CONECT    8    4                                                      
CONECT    9    5   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    9   17                                            
CONECT   14   12   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   13                                                 
CONECT   18   14                                                      
CONECT   19    7   21   23   24                                       
CONECT   20    3                                                      
CONECT   21   19   22                                                 
CONECT   22   21   25   26   27                                       
CONECT   23   19                                                      
CONECT   24   19                                                      
CONECT   25   22                                                      
CONECT   26   22                                                      
CONECT   27   22                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0U3KT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.930   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.930  -0.412   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.215  -0.825   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.501  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.215   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.786  -0.825   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.072  -0.412   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.357  -0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.357  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.215   1.650   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.930   2.062   0.000  1.00  0.00           O  
HETATM   13  O   UNL     1      -2.501   2.062   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.072  -0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.786  -0.412   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.501  -0.825   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.215  -0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.930  -0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.786   1.650   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.072   2.062   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.357   1.650   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.357   2.062   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       1.072   1.650   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.786   2.062   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.072   0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.501  -1.650   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.215  -2.062   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   11                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   14                                                 
CONECT   11    6   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   19                                                 
CONECT   14   10   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   26                                            
CONECT   17   16   18                                                 
CONECT   18   17                                                      
CONECT   19   13   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   16   27                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0U3KV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.072  -0.996   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.072  -1.821   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.357  -2.234   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.357  -1.821   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.357  -0.996   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.357  -0.584   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1       1.072  -2.234   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.786  -1.821   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.786  -0.996   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.072  -0.584   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.786  -2.234   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.529   0.223   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.349   0.309   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1      -1.685  -0.444   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.023   0.836   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.830   0.665   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.382   1.278   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       1.127   2.062   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       0.320   2.234   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.232   1.621   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.039   1.792   0.000  1.00  0.00           C  
CONECT    1    2    6   14                                            
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   12                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    2                                                      
CONECT   12    6   13   15                                            
CONECT   13   12   14                                                 
CONECT   14   13    1                                                 
CONECT   15   12   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0U3KX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.072  -2.062   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.072  -2.888   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.357  -3.300   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.357  -2.888   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.357  -2.062   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.357  -1.650   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.072  -1.650   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.072  -0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.357  -0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.357  -0.825   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.786  -1.650   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.786  -0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.072  -0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.072   0.412   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.786   0.825   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.501   0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.501  -0.412   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.786   1.650   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.501   2.062   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.072   2.062   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.357   1.650   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1      -1.072   2.888   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       0.357   2.062   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.072   1.650   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.786   2.062   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.786   2.888   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.072   3.300   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.357   2.888   0.000  1.00  0.00           C  
HETATM   29 CL   UNL     1       2.501   3.300   0.000  1.00  0.00          Cl  
HETATM   30  F   UNL     1       0.357   0.412   0.000  1.00  0.00           F  
CONECT    1    2    6   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   10                                            
CONECT    7    5    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   30                                            
CONECT   10    9    6                                                 
CONECT   11    1   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   15   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   21   22                                            
CONECT   21   20   23                                                 
CONECT   22   20                                                      
CONECT   23   21   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   23                                                 
CONECT   29   26                                                      
CONECT   30    9                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0U3RD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786   2.018   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.786   1.193   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.072   0.781   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357   1.193   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357   2.018   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.072   2.431   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1       0.357   0.781   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.072   1.193   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.072   2.018   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.357   2.431   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.786   0.781   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.872  -0.040   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.679  -0.211   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.092   0.503   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.540   1.116   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.659  -0.837   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.862  -1.050   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.648  -1.847   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.232  -2.431   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.029  -2.217   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.242  -1.420   0.000  1.00  0.00           C  
HETATM   22  F   UNL     1       3.039  -1.207   0.000  1.00  0.00           F  
HETATM   23  F   UNL     1      -0.148  -2.061   0.000  1.00  0.00           F  
HETATM   24  N   UNL     1      -1.072  -0.044   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.786  -0.457   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.540  -0.121   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.092  -0.735   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.679  -1.449   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.872  -1.277   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.015  -2.203   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   24                                            
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    8   12   15                                            
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16   12   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   16   22                                            
CONECT   22   21                                                      
CONECT   23   18                                                      
CONECT   24    3   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28   25                                                 
CONECT   30   28                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END

$$$$

$$$$

$$$$
D0U3VU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.043   2.142   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.459   1.429   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.049   0.713   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.224   0.709   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.809   1.422   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.218   2.138   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.815  -0.007   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.990  -0.010   0.000  1.00  0.00           N1+
HETATM    9  C   UNL     1      -2.230  -0.720   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.055  -0.716   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.471  -1.429   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.061  -2.145   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.236  -2.149   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.821  -1.436   0.000  1.00  0.00           C  
HETATM   15 CL   UNL     1      -3.453   2.858   0.000  1.00  0.00          Cl  
HETATM   16 CL   UNL     1      -3.477  -2.858   0.000  1.00  0.00          Cl  
HETATM   17  C   UNL     1      -0.409  -0.596   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.177  -0.010   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.409   0.575   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       1.002  -0.010   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.414   0.704   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1       1.643  -0.295   0.000  1.00  0.00           S  
HETATM   23  C   UNL     1       2.239   0.704   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.652   1.419   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.239   2.133   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.414   2.133   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.002   1.419   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1       1.002   2.848   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1       3.477   1.419   0.000  1.00  0.00           F  
HETATM   30  C   UNL     1       2.131   0.370   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       1.554  -1.115   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       2.309  -0.783   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -0.990  -0.835   0.000  1.00  0.00           C  
CONECT    1    2    6   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8    9                                            
CONECT    8    7   17   19   33                                       
CONECT    9    7   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    1                                                      
CONECT   16   12                                                      
CONECT   17    8   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18    8                                                 
CONECT   20   18   21   22                                            
CONECT   21   20   23   27                                            
CONECT   22   20   30   31   32                                       
CONECT   23   21   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   21                                                 
CONECT   28   26                                                      
CONECT   29   24                                                      
CONECT   30   22                                                      
CONECT   31   22                                                      
CONECT   32   22                                                      
CONECT   33    8                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0U3YY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.715   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.715  -0.825   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.000  -1.238   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.715  -0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.715   0.000   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.000   0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429   0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.429  -1.238   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.429   1.238   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.143   1.650   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.858   1.238   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.858   0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.143   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.143  -0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.858  -1.238   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.858  -2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.143  -2.475   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.429  -2.062   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -3.572  -2.475   0.000  1.00  0.00          Cl  
HETATM   20 CL   UNL     1      -3.572   1.650   0.000  1.00  0.00          Cl  
HETATM   21 CL   UNL     1      -0.715  -2.475   0.000  1.00  0.00          Cl  
HETATM   22  O   UNL     1       1.429  -1.238   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       2.143  -0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.143   0.000   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.429   0.412   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       1.429   1.238   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.968  -0.825   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.727  -1.408   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.143   1.650   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       2.858   1.238   0.000  1.00  0.00           N  
HETATM   31  O   UNL     1       2.143   2.475   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       2.858   0.412   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.572   1.650   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   22                                            
CONECT    5    4    6   25                                            
CONECT    6    5    1                                                 
CONECT    7    1    9   13                                            
CONECT    8    2   14   18                                            
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   20                                            
CONECT   12   11   13                                                 
CONECT   13   12    7                                                 
CONECT   14    8   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17    8   21                                            
CONECT   19   16                                                      
CONECT   20   11                                                      
CONECT   21   18                                                      
CONECT   22    4   23                                                 
CONECT   23   22   24   27   28                                       
CONECT   24   23   25                                                 
CONECT   25   24    5   26                                            
CONECT   26   29   25                                                 
CONECT   27   23                                                      
CONECT   28   23                                                      
CONECT   29   26   30   31                                            
CONECT   30   29   32   33                                            
CONECT   31   29                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0U4DT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.001   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.001  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.287  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.572  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.572   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.287   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.858  -0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.143  -0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.429  -0.825   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.714  -0.412   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.000  -0.825   0.000  1.00  0.00           N  
HETATM   12  O   UNL     1      -0.714   0.412   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.714  -0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.429  -0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.143  -0.412   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.143   0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.429   0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.714   0.412   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.858   0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.572   0.412   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       4.287   0.825   0.000  1.00  0.00           N  
HETATM   22  N   UNL     1       5.001   0.412   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   12                                            
CONECT   11   10   13                                                 
CONECT   12   10                                                      
CONECT   13   11   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   19                                            
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   16   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0U4EO
  -OEChem-09301911132D

 78 81  0     1  0  0  0  0  0999 V2000
    6.8671   -0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8671   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244    2.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230    1.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    4.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    4.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    1.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    1.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4776    3.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791    3.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    3.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    3.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796    4.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810    5.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10 39  1  0  0  0  0
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 11 39  2  0  0  0  0
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 13 15  1  0  0  0  0
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 13 42  1  0  0  0  0
 14 16  1  0  0  0  0
 14 43  1  0  0  0  0
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 15 45  1  0  0  0  0
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 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 20  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 19  1  0  0  0  0
 19 21  1  0  0  0  0
 19 51  1  0  0  0  0
 20 52  1  0  0  0  0
 20 53  1  0  0  0  0
 21 25  1  0  0  0  0
 21 54  1  0  0  0  0
 21 55  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 27  1  0  0  0  0
 22 57  1  0  0  0  0
 23 28  1  0  0  0  0
 23 58  1  0  0  0  0
 23 59  1  0  0  0  0
 24 29  2  0  0  0  0
 24 30  1  0  0  0  0
 25 33  2  0  0  0  0
 25 34  1  0  0  0  0
 26 29  1  0  0  0  0
 26 32  2  0  0  0  0
 27 62  1  0  0  0  0
 27 63  1  0  0  0  0
 28 31  1  0  0  0  0
 28 64  1  0  0  0  0
 28 65  1  0  0  0  0
 29 66  1  0  0  0  0
 30 35  2  0  0  0  0
 30 67  1  0  0  0  0
 32 35  1  0  0  0  0
 32 68  1  0  0  0  0
 33 36  1  0  0  0  0
 33 69  1  0  0  0  0
 34 37  2  0  0  0  0
 34 70  1  0  0  0  0
 35 71  1  0  0  0  0
 36 38  2  0  0  0  0
 36 39  1  0  0  0  0
 37 38  1  0  0  0  0
 37 72  1  0  0  0  0
 38 75  1  0  0  0  0
M  END

$$$$
D0U4IE
  -OEChem-09301911252D

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  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5  9  1  0  0  0  0
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  6 20  1  0  0  0  0
  6 21  2  0  0  0  0
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  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 13  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 16  2  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 18  1  0  0  0  0
 16 20  1  0  0  0  0
 17 19  1  0  0  0  0
 17 44  1  0  0  0  0
 18 19  2  0  0  0  0
 18 47  1  0  0  0  0
 19 48  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 22 25  1  0  0  0  0
 22 27  1  0  0  0  0
 23 26  1  0  0  0  0
 23 28  1  0  0  0  0
 24 27  2  0  0  0  0
 24 29  1  0  0  0  0
 25 30  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 26 31  1  0  0  0  0
 26 53  1  0  0  0  0
 26 54  1  0  0  0  0
 27 55  1  0  0  0  0
 28 29  2  0  0  0  0
 28 56  1  0  0  0  0
 29 57  1  0  0  0  0
 30 32  1  0  0  0  0
 30 58  1  0  0  0  0
 30 59  1  0  0  0  0
 31 33  1  0  0  0  0
 31 60  1  0  0  0  0
 31 61  1  0  0  0  0
 32 62  1  0  0  0  0
 32 63  1  0  0  0  0
 32 64  1  0  0  0  0
 33 65  1  0  0  0  0
 33 66  1  0  0  0  0
 33 67  1  0  0  0  0
M  END

$$$$
D0U4LI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.331   2.859   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.920   2.144   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.095   2.143   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.681   2.857   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.093   3.572   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.918   3.573   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.681   1.428   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.856   1.428   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.443   2.143   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.856   2.857   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.094   0.714   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.681  -0.001   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.856  -0.001   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.444   0.714   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.444  -0.715   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.619  -0.715   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1      -1.856  -1.430   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.206  -1.430   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.619  -1.430   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.031  -2.144   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.856  -2.144   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.269  -1.430   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.856  -0.715   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.031  -0.715   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.269  -2.859   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       1.856  -3.573   0.000  1.00  0.00           O  
HETATM   27  N   UNL     1       3.094  -2.859   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       3.506  -3.573   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.331  -3.573   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8   11                                            
CONECT    8    7    9   14                                            
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    7   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13    8                                                 
CONECT   15   13   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25   21   26   27                                            
CONECT   26   25                                                      
CONECT   27   25   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0U4ZO
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.690  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.690  -1.650   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.024  -2.062   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.739  -1.650   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.739  -0.825   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.024  -0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.524  -1.905   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.009  -1.238   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.524  -0.570   0.000  1.00  0.00           N  
HETATM   10  F   UNL     1       2.833  -1.238   0.000  1.00  0.00           F  
HETATM   11  C   UNL     1       1.778  -2.690   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.603  -2.690   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.405  -2.062   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.119  -1.650   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.833  -2.062   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.833  -2.888   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.119  -3.300   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.405  -2.888   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.690  -3.300   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.024  -2.888   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       0.739  -3.300   0.000  1.00  0.00           O  
HETATM   22  N   UNL     1       0.024   0.412   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       0.739   0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.739   1.650   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.453   2.062   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       1.453   2.888   0.000  1.00  0.00           N1+
HETATM   27  C   UNL     1       0.739   3.300   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       0.024   2.888   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.024   2.062   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       2.168   3.300   0.000  1.00  0.00           O1-
CONECT    1    2    6                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   22                                            
CONECT    7    4    8   11                                            
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8                                                      
CONECT   11    7   12                                                 
CONECT   12   11                                                      
CONECT   13    2   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13   19                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20                                                      
CONECT   22    6   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   26                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0U5BE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.423  -0.756   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.423  -1.581   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.708  -1.993   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.006  -1.581   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.006  -0.756   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.708  -0.343   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.137  -0.343   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.852  -0.756   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.852  -1.581   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.137  -1.993   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.721  -0.343   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.474  -0.679   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       2.026  -0.066   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1       1.614   0.649   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.807   0.477   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.708   0.482   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.423   0.894   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.423   1.719   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.010   2.434   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.835   2.434   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1      -2.550   2.846   0.000  1.00  0.00           F  
HETATM   22  F   UNL     1      -1.622   3.231   0.000  1.00  0.00           F  
HETATM   23  C   UNL     1      -3.566  -1.993   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.137  -2.818   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.852  -3.231   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.423  -3.231   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.852  -0.066   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.566  -0.478   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.566   0.347   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   11                                            
CONECT    6    5    1   16                                            
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   23                                            
CONECT   10    9    2   24                                            
CONECT   11    5   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   27                                            
CONECT   14   13   15                                                 
CONECT   15   14   11                                                 
CONECT   16    6   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   20                                            
CONECT   19   18   20                                                 
CONECT   20   19   18   21   22                                       
CONECT   21   20                                                      
CONECT   22   20                                                      
CONECT   23    9                                                      
CONECT   24   10   25   26                                            
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   13   28   29                                            
CONECT   28   27   29                                                 
CONECT   29   28   27                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
M  END

$$$$
D0U5CQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.618   0.339   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.904  -0.074   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.189   0.339   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.475  -0.074   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.240   0.339   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       0.954  -0.074   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.475  -0.899   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.832   1.135   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.656   1.179   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.951   0.408   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1      -3.310  -0.111   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.310  -0.936   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.025  -1.348   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.025  -2.173   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.310  -2.586   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.596  -2.173   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.596  -1.348   0.000  1.00  0.00           C  
HETATM   18 CL   UNL     1      -1.881  -2.586   0.000  1.00  0.00          Cl  
HETATM   19  C   UNL     1       0.954  -0.899   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.669  -1.311   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.383  -0.899   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.383  -0.074   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.669   0.339   0.000  1.00  0.00           C  
HETATM   24  F   UNL     1       3.098   0.339   0.000  1.00  0.00           F  
HETATM   25  N   UNL     1       3.098  -1.311   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       3.311  -2.108   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.108  -1.895   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.894  -1.098   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       4.822  -2.307   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -4.108   1.871   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.822   1.459   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.520   2.586   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.393   2.284   0.000  1.00  0.00           C  
CONECT    1    2    8   11                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5   19   23                                            
CONECT    7    4                                                      
CONECT    8    1    9                                                 
CONECT    9    8   10   30                                            
CONECT   10    9   11                                                 
CONECT   11   10    1   12                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   12                                                 
CONECT   18   16                                                      
CONECT   19    6   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   25                                            
CONECT   22   21   23   24                                            
CONECT   23   22    6                                                 
CONECT   24   22                                                      
CONECT   25   21   26   28                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   25                                                 
CONECT   29   27                                                      
CONECT   30    9   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0U5FZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.061  -0.704   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.061  -1.529   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.347  -1.942   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.632  -1.529   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.632  -0.704   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.347  -0.292   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.848  -1.784   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.363  -1.117   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.848  -0.449   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.347   0.533   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.061   0.946   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.632   0.946   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.835   0.732   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.622   1.529   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.419   1.743   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       0.093   1.942   0.000  1.00  0.00           N  
HETATM   17  S   UNL     1       0.807   1.529   0.000  1.00  0.00           S  
HETATM   18  C   UNL     1       1.522   1.942   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       0.224   0.946   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1       1.391   0.946   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       2.236   1.529   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.649   0.815   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.061   1.529   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    6   11   12                                            
CONECT   11   10                                                      
CONECT   12   13   15   10                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   12                                                 
CONECT   16   17   14                                                 
CONECT   17   16   18   19   20                                       
CONECT   18   17   21                                                 
CONECT   19   17                                                      
CONECT   20   17                                                      
CONECT   21   18   22   23                                            
CONECT   22   21   23                                                 
CONECT   23   22   21                                                 
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0U5GU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.190   0.000   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       1.015   0.000   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.635   0.000   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.190   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.190  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.524  -1.238   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.524  -2.062   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.190  -2.475   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.905  -2.062   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.905  -1.238   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.047   0.715   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.872   0.715   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.285   0.000   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.872  -0.715   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.047  -0.715   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.905   1.238   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.905   2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.190   2.475   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.524   2.062   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.524   1.238   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.500  -0.667   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.285  -0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.285   0.412   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.500   0.667   0.000  1.00  0.00           C  
CONECT    1    2    3    4    5                                       
CONECT    2    1   21   24                                            
CONECT    3    1   11   15                                            
CONECT    4    1   16   20                                            
CONECT    5    1    6   10                                            
CONECT    6    5    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    5                                                 
CONECT   11    3   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14    3                                                 
CONECT   16    4   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19    4                                                 
CONECT   21    2   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23    2                                                 
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0U5HB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.061   1.940   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.061   1.115   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.776   0.703   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.490   1.115   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.490   1.940   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.776   2.353   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.776  -0.122   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.061  -0.535   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.061  -1.360   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.776  -1.772   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.490  -1.360   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.490  -0.535   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.061  -2.185   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.346  -1.772   0.000  1.00  0.00           N  
HETATM   15  O   UNL     1       1.061  -3.010   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1       2.490  -2.185   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       3.204  -1.772   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.346   0.703   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.368   1.115   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.082   0.703   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.368   1.940   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.836   1.038   0.000  1.00  0.00           C  
HETATM   23  S   UNL     1      -2.388   0.425   0.000  1.00  0.00           S  
HETATM   24  C   UNL     1      -1.976  -0.289   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.169  -0.118   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.311  -1.043   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.118  -1.215   0.000  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.204  -2.035   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1      -2.451  -2.371   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1      -1.899  -1.758   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       1.776   3.178   0.000  1.00  0.00           N  
HETATM   32  F   UNL     1       3.204   0.703   0.000  1.00  0.00           F  
HETATM   33  C   UNL     1      -2.279  -3.178   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5   32                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   31                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13   16                                       
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   10   17                                                 
CONECT   17   16                                                      
CONECT   18    2   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   22   25                                            
CONECT   21   19                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24   20                                                 
CONECT   26   24   27   30                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30   33                                            
CONECT   30   29   26                                                 
CONECT   31    6                                                      
CONECT   32    4                                                      
CONECT   33   29                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END

$$$$

$$$$
D0U5IW
  -OEChem-09301911212D

 69 73  0     1  0  0  0  0  0999 V2000
    7.1962   -1.5600    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3385    1.1353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9221    1.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.4400    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0622    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3385    2.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    2.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    0.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -0.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382    3.9031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182    4.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -3.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -2.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1233    1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881   -5.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081   -4.5231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5311    3.3340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5311    0.5459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 18  2  0  0  0  0
  3 19  2  0  0  0  0
  4 24  2  0  0  0  0
  5 11  1  0  0  0  0
  5 19  1  0  0  0  0
  5 42  1  0  0  0  0
  6 14  1  0  0  0  0
  6 19  1  0  0  0  0
  6 45  1  0  0  0  0
  7 18  1  0  0  0  0
  7 27  1  0  0  0  0
  7 52  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 55  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
  9 69  1  0  0  0  0
 10 40  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 41  1  0  0  0  0
 12 14  2  0  0  0  0
 12 18  1  0  0  0  0
 13 15  2  0  0  0  0
 13 17  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 15 43  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  2  0  0  0  0
 17 23  2  0  0  0  0
 17 44  1  0  0  0  0
 20 24  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 23  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 51  1  0  0  0  0
 25 26  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 27 30  2  0  0  0  0
 27 32  1  0  0  0  0
 28 34  1  0  0  0  0
 28 37  1  0  0  0  0
 29 35  2  0  0  0  0
 29 38  1  0  0  0  0
 30 31  1  0  0  0  0
 30 56  1  0  0  0  0
 31 33  2  0  0  0  0
 31 40  1  0  0  0  0
 32 36  2  0  0  0  0
 32 57  1  0  0  0  0
 33 36  1  0  0  0  0
 34 39  2  0  0  0  0
 34 58  1  0  0  0  0
 35 39  1  0  0  0  0
 35 59  1  0  0  0  0
 36 60  1  0  0  0  0
 37 61  1  0  0  0  0
 37 62  1  0  0  0  0
 37 63  1  0  0  0  0
 38 64  1  0  0  0  0
 38 65  1  0  0  0  0
 38 66  1  0  0  0  0
 39 67  1  0  0  0  0
 40 68  1  0  0  0  0
M  END

$$$$
D0U5ON
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.513  -0.450   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.227  -0.037   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.798  -0.037   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.798   0.788   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.513   1.200   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.227   0.788   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.084  -0.450   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.369  -0.037   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.369   0.788   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1       0.345  -0.450   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.060  -0.037   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.774  -0.450   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.774  -1.275   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.488  -1.687   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.203  -1.275   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.203  -0.450   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.488  -0.037   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.488   0.788   0.000  1.00  0.00           N  
HETATM   19 CL   UNL     1       3.917  -1.687   0.000  1.00  0.00          Cl  
HETATM   20  N   UNL     1      -3.840  -0.589   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.505  -1.343   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.684  -1.257   0.000  1.00  0.00           N  
HETATM   23  O   UNL     1      -3.917  -2.057   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       3.156   1.273   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.901   2.057   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.076   2.057   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.821   1.273   0.000  1.00  0.00           C  
CONECT    1    2    3   22                                            
CONECT    2    1    6   20                                            
CONECT    3    1    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    2                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   18                                            
CONECT   18   17   24   27                                            
CONECT   19   15                                                      
CONECT   20    2   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21    1                                                 
CONECT   23   21                                                      
CONECT   24   18   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   18                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0U5TX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.138   0.702   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.424   1.115   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.709   0.702   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.995   1.115   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.280   0.702   0.000  1.00  0.00           N  
HETATM    6  O   UNL     1      -1.995   1.940   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.709  -0.123   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.566   1.115   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.148   0.702   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.863   1.115   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1       0.148  -0.123   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.566   1.940   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.280   2.352   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.148   2.352   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.566   2.765   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.617   0.779   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.169   1.392   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.756   2.107   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.949   1.935   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.994   1.392   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.406   2.107   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.994   2.821   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.169   2.821   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.830  -0.018   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       1.247  -0.601   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1       2.545  -0.430   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       2.758  -1.227   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.175  -1.811   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.388  -2.607   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.185  -2.821   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.768  -2.238   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.555  -1.441   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1       4.138  -0.857   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       1.378  -1.597   0.000  1.00  0.00           F  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    6                                            
CONECT    5    4    8                                                 
CONECT    6    4                                                      
CONECT    7    3                                                      
CONECT    8    5    9   12                                            
CONECT    9    8   10   11                                            
CONECT   10    9   16   19                                            
CONECT   11    9                                                      
CONECT   12    8   13   14   15                                       
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15   12                                                      
CONECT   16   10   17   24                                            
CONECT   17   16   18   20                                            
CONECT   18   17   19   23                                            
CONECT   19   18   10                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   16   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27                                                 
CONECT   27   26   28   32                                            
CONECT   28   27   29   34                                            
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27   33                                            
CONECT   33   32                                                      
CONECT   34   28                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0U5VO
  -OEChem-09301911182D

 51 53  0     0  0  0  0  0  0999 V2000
    8.2601    3.0202    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.8458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    3.0202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7601   -0.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7601   -0.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2601    1.2882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -3.3846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -3.3846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940    1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940    0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    3.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2601    3.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7601    2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -2.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7601    3.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -2.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7601    2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7601    3.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202   -2.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2601    3.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7601    0.4221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2367    1.5465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8382    2.2368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6820    2.2368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2835    1.5465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8382    0.0716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2367    0.7619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2835    0.7619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6820    0.0716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3677    3.6308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6775    3.2323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6401    3.0202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4501    4.4232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8956   -3.8862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0701    1.6172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0701    4.4232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916   -1.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -1.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -2.7142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7117   -2.7142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1098   -1.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3286   -1.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2231    0.1121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0701   -0.1148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2970    0.7321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  7  1  0  0  0  0
  2 17  1  0  0  0  0
  3 10  1  0  0  0  0
  3 38  1  0  0  0  0
  6 18  1  0  0  0  0
  6 27  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  8 40  1  0  0  0  0
  9 21  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 14  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 18  2  0  0  0  0
 16 20  1  0  0  0  0
 17 19  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 24  1  0  0  0  0
 20 23  2  0  0  0  0
 20 39  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  2  0  0  0  0
 22 41  1  0  0  0  0
 23 26  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
M  END

$$$$
D0U5XI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.960   0.249   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.245  -0.164   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.469   0.249   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       1.184  -0.164   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       1.898   0.249   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1       0.469   1.074   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.046   1.069   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.853   1.241   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.265   0.526   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.713  -0.087   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.494   1.683   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.749   2.467   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.556   2.639   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.108   2.026   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.072   0.355   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.327  -0.430   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.775  -1.043   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.968  -0.871   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.613  -0.164   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       3.327   0.249   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       3.327   1.074   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.613   1.486   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.898   1.074   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.613  -0.989   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.898  -1.401   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.898  -2.226   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.613  -2.639   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.327  -2.226   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.327  -1.401   0.000  1.00  0.00           C  
CONECT    1    2    7   10                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4   19   23                                            
CONECT    6    3                                                      
CONECT    7    1    8   11                                            
CONECT    8    7    9   14                                            
CONECT    9    8   10   15                                            
CONECT   10    9    1   18                                            
CONECT   11    7   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    8                                                 
CONECT   15    9   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   10                                                 
CONECT   19    5   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22    5                                                 
CONECT   24   19   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END

$$$$

$$$$
D0U6CU
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.762  -0.704   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.048  -0.292   0.000  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.762  -1.529   0.000  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.333  -0.704   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.619  -0.292   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.619   0.533   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.333   0.946   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.048   0.533   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1       0.096   0.946   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1       0.810   0.533   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.488   1.529   0.000  1.00  0.00           O  
HETATM   12  O   UNL     1       0.679   1.529   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       0.810  -0.292   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.524  -0.704   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.239  -0.292   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.239   0.533   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.524   0.946   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.953  -0.704   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       3.668  -0.292   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       3.668   0.533   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       4.382  -0.704   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       5.097  -0.292   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.660   0.514   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.097  -0.186   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.709  -0.914   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.884  -0.942   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.448  -0.242   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.836   0.486   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.077   1.097   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.362   0.685   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.538   0.685   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.912  -0.267   0.000  1.00  0.00           C  
CONECT    1    2    3   27                                            
CONECT    2    1    4    8                                            
CONECT    3    1                                                      
CONECT    4    2    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7    9                                            
CONECT    7    6    8                                                 
CONECT    8    7    2                                                 
CONECT    9    6   10   11   12                                       
CONECT   10    9   13   17                                            
CONECT   11    9                                                      
CONECT   12    9                                                      
CONECT   13   10   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   18                                            
CONECT   16   15   17                                                 
CONECT   17   16   10                                                 
CONECT   18   15   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19                                                      
CONECT   21   19   22                                                 
CONECT   22   21                                                      
CONECT   23   24   28   29                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   32                                            
CONECT   26   25   27                                                 
CONECT   27   26   28    1   31                                       
CONECT   28   27   23                                                 
CONECT   29   23   30                                                 
CONECT   30   29   31   32                                            
CONECT   31   30   27                                                 
CONECT   32   30   25                                                 
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0U6OY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.699   0.847   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.699   0.022   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.985  -0.391   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.271   0.022   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.271   0.847   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.985   1.259   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.556  -0.391   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.556  -1.216   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.842  -1.628   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.127  -1.216   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.127  -0.391   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.842   0.022   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.518  -1.730   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.322  -1.547   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.680  -0.803   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.322  -0.060   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       0.518   0.124   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.689  -0.747   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.788   1.730   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       5.502   1.318   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       5.502   0.495   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       4.794   0.086   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.087   0.494   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.087   1.310   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.364   0.077   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       2.658   0.484   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       1.935   0.067   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       1.935  -0.769   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -5.502   1.410   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.090   0.696   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.265   0.696   0.000  1.00  0.00           C  
CONECT    1    2    6   31                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12   17                                            
CONECT   12   11    7                                                 
CONECT   13   10   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   27                                            
CONECT   17   16   11   18                                            
CONECT   18   17   13                                                 
CONECT   19   20   24                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   19                                                 
CONECT   25   23   26                                                 
CONECT   26   25   27                                                 
CONECT   27   16   26   28                                            
CONECT   28   27                                                      
CONECT   29   30                                                      
CONECT   30   29   31                                                 
CONECT   31    1   30                                                 
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0U6PA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.503  -0.185   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.503  -1.010   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.789  -1.423   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.074  -1.010   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.074  -0.185   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.789   0.227   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.218   0.227   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.218  -1.423   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.218   1.052   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.932   1.465   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.647   1.052   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.647   0.227   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.932  -0.185   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.932  -1.010   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.647  -1.423   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.647  -2.248   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.932  -2.660   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.218  -2.248   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -4.361   1.465   0.000  1.00  0.00          Cl  
HETATM   20 CL   UNL     1      -1.503  -2.660   0.000  1.00  0.00          Cl  
HETATM   21  C   UNL     1       0.539   0.367   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.203   1.121   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.617   1.034   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.346   0.195   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       1.898   0.808   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1       1.601  -0.589   0.000  1.00  0.00           N  
HETATM   27  N   UNL     1       2.398  -0.803   0.000  1.00  0.00           N  
HETATM   28  S   UNL     1       0.616   1.835   0.000  1.00  0.00           S  
HETATM   29  O   UNL     1      -0.099   2.248   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       0.616   2.660   0.000  1.00  0.00           O  
HETATM   31  N   UNL     1       1.441   1.835   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       2.714  -1.565   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.981  -0.219   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       3.778  -0.433   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       4.361   0.150   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.148   0.947   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       3.351   1.161   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       2.767   0.578   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   21                                            
CONECT    6    5    1   23                                            
CONECT    7    9   13    1                                            
CONECT    8    2   14   18                                            
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   19                                            
CONECT   12   11   13                                                 
CONECT   13   12    7                                                 
CONECT   14    8   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17    8   20                                            
CONECT   19   11                                                      
CONECT   20   18                                                      
CONECT   21    5   22   24                                            
CONECT   22   21   23   28                                            
CONECT   23   22    6                                                 
CONECT   24   21   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27                                                 
CONECT   27   32   26   33                                            
CONECT   28   22   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
CONECT   32   27                                                      
CONECT   33   27   34   38                                            
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   33                                                 
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0U7LL
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.809  -2.062   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.809  -2.888   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.095  -3.300   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.380  -2.888   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.380  -2.062   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.095  -1.650   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.095  -0.825   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.809  -0.412   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.809   0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.380  -0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.666  -0.825   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.380   0.412   0.000  1.00  0.00           O  
HETATM   13  N   UNL     1       0.049  -0.412   0.000  1.00  0.00           N  
HETATM   14  S   UNL     1       0.763  -0.825   0.000  1.00  0.00           S  
HETATM   15  O   UNL     1       0.351  -1.540   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       1.176  -1.540   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       1.347  -0.242   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.143  -0.455   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.727   0.128   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.513   0.925   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.716   1.139   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.133   0.555   0.000  1.00  0.00           C  
HETATM   23  F   UNL     1       3.097   1.508   0.000  1.00  0.00           F  
HETATM   24  O   UNL     1      -3.524  -3.300   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.095  -4.125   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.809  -4.537   0.000  1.00  0.00           O  
HETATM   27  O   UNL     1      -1.380  -4.537   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1      -2.095   0.825   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.095   1.650   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.809   2.062   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.524   1.650   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.524   0.825   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.809   2.888   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.095   3.300   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.095   4.125   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.809   4.537   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.524   4.125   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.524   3.300   0.000  1.00  0.00           C  
HETATM   39  F   UNL     1       0.418   0.968   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1       1.503   1.935   0.000  1.00  0.00           F  
HETATM   41  F   UNL     1       3.524  -0.085   0.000  1.00  0.00           F  
HETATM   42  F   UNL     1       2.357  -1.252   0.000  1.00  0.00           F  
HETATM   43  C   UNL     1       0.048   0.412   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   24                                            
CONECT    3    2    4   25                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8   28   32                                            
CONECT   10    7   11   12                                            
CONECT   11   10   13                                                 
CONECT   12   10                                                      
CONECT   13   11   14   43                                            
CONECT   14   13   15   16   17                                       
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17   14   18   22                                            
CONECT   18   17   19   42                                            
CONECT   19   18   20   41                                            
CONECT   20   19   21   23                                            
CONECT   21   20   22   40                                            
CONECT   22   21   17   39                                            
CONECT   23   20                                                      
CONECT   24    2                                                      
CONECT   25    3   26   27                                            
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28    9   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31    9                                                 
CONECT   33   30   34   38                                            
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   33                                                 
CONECT   39   22                                                      
CONECT   40   21                                                      
CONECT   41   19                                                      
CONECT   42   18                                                      
CONECT   43   13                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
M  END

$$$$
D0U7LW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.418   1.872   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       1.418   1.047   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       2.133   0.635   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       2.847   1.047   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       2.847   1.872   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.133   2.285   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.133  -0.190   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.418  -0.603   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.418  -1.428   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.133  -1.840   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.847  -1.428   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.847  -0.603   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.704   0.635   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.011   1.047   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.725   0.635   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.011   1.872   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.479   0.970   0.000  1.00  0.00           C  
HETATM   18  S   UNL     1      -2.031   0.357   0.000  1.00  0.00           S  
HETATM   19  C   UNL     1      -1.618  -0.357   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.811  -0.186   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.954  -1.111   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.133   3.110   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.761  -1.282   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.847  -2.103   0.000  1.00  0.00           N  
HETATM   25  N   UNL     1      -2.094  -2.438   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.542  -1.825   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.465  -2.325   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.720  -3.110   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       2.545  -3.110   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       2.800  -2.325   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   13                                            
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   22                                            
CONECT    7    3    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   27   30                                       
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    2   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   17   20                                            
CONECT   16   14                                                      
CONECT   17   15   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   15                                                 
CONECT   21   19   23   26                                            
CONECT   22    6                                                      
CONECT   23   21   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   10   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   10                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END

$$$$

$$$$

$$$$
D0U7VC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.200   0.084   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.375   0.080   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.037   0.794   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.863   0.794   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.117   1.579   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.450   2.064   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.217   1.579   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.275   0.080   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.100   0.080   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.513  -0.635   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.513   0.794   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       2.100  -1.349   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.513  -2.064   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.337  -2.064   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.750  -1.349   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.337  -0.635   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.684   0.752   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.469   0.498   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.469  -0.327   0.000  1.00  0.00           C  
HETATM   20  S   UNL     1      -1.684  -0.583   0.000  1.00  0.00           S  
HETATM   21  C   UNL     1      -3.184   0.910   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.898   0.498   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.898  -0.327   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.184  -0.740   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1      -4.613  -0.740   0.000  1.00  0.00           F  
HETATM   26  C   UNL     1       0.863  -0.635   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       3.898  -0.069   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       4.613  -0.481   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       2.042  -1.141   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       2.756  -1.554   0.000  1.00  0.00           C  
CONECT    1    2   17   20                                            
CONECT    2    1    3                                                 
CONECT    3    4    7    2                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    3                                                 
CONECT    8    4    9   26                                            
CONECT    9    8   10   11                                            
CONECT   10    9   12   16                                            
CONECT   11    9                                                      
CONECT   12   10   13   29                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   10   27                                            
CONECT   17    1   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20   24                                            
CONECT   20   19    1                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23   19                                                 
CONECT   25   23                                                      
CONECT   26    8                                                      
CONECT   27   16   28                                                 
CONECT   28   27                                                      
CONECT   29   12   30                                                 
CONECT   30   29                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0U8BD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.713   0.143   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.713  -0.682   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.999  -1.095   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.284  -0.682   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.284   0.143   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.999   0.555   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.570   0.555   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.855   0.143   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.141   0.555   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.574   0.143   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       1.288   0.555   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.002   0.143   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.717   0.555   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.717   1.380   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.002   1.793   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.288   1.380   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       3.431   0.968   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       4.045   1.520   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1       3.709   2.273   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       2.888   2.187   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       2.305   2.771   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       4.121   2.988   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       4.841   1.306   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1       3.645   0.171   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.062  -0.413   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.275  -1.210   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.072  -1.423   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.655  -0.840   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.442  -0.043   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1      -1.570  -1.095   0.000  1.00  0.00           F  
HETATM   31  O   UNL     1      -1.570   1.380   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       0.574  -0.682   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -0.141   1.380   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.855   1.793   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       0.574   1.793   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.429   0.555   0.000  1.00  0.00           C  
HETATM   37  F   UNL     1      -4.016   1.270   0.000  1.00  0.00           F  
HETATM   38  F   UNL     1      -3.714   0.143   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1      -4.841  -0.159   0.000  1.00  0.00           F  
HETATM   40  O   UNL     1       3.516  -1.821   0.000  1.00  0.00           O  
HETATM   41  C   UNL     1       4.100  -2.405   0.000  1.00  0.00           C  
HETATM   42  F   UNL     1       4.683  -1.821   0.000  1.00  0.00           F  
HETATM   43  F   UNL     1       4.683  -2.988   0.000  1.00  0.00           F  
HETATM   44  F   UNL     1       3.516  -2.988   0.000  1.00  0.00           F  
CONECT    1    2    6   36                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   30                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   31                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   33                                            
CONECT   10    9   11   32                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17   20                                       
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   14   18   24                                            
CONECT   18   17   19   23                                            
CONECT   19   18   20   22                                            
CONECT   20   19   14   21                                            
CONECT   21   20                                                      
CONECT   22   19                                                      
CONECT   23   18                                                      
CONECT   24   17   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   40                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30    4                                                      
CONECT   31    7                                                      
CONECT   32   10                                                      
CONECT   33    9   34   35                                            
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36    1   37   38   39                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   36                                                      
CONECT   40   27   41                                                 
CONECT   41   40   42   43   44                                       
CONECT   42   41                                                      
CONECT   43   41                                                      
CONECT   44   41                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
M  END

$$$$
D0U8YZ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.291   0.750   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.577   0.337   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.862   0.750   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.148   0.337   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.567   0.750   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.281   0.337   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.567   1.575   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.148  -0.488   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.505   1.547   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.329   1.590   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.624   0.820   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1      -2.983   0.301   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.983  -0.524   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.698  -0.937   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.698  -1.762   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.983  -2.174   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.269  -1.762   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.269  -0.937   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.281  -0.488   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.996  -0.900   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.710  -0.488   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.710   0.337   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.996   0.750   0.000  1.00  0.00           C  
HETATM   24  F   UNL     1       3.425   0.750   0.000  1.00  0.00           F  
HETATM   25  C   UNL     1      -3.781   2.283   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1      -4.495   1.870   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1      -4.193   2.997   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1      -3.066   2.695   0.000  1.00  0.00           F  
HETATM   29  C   UNL     1       3.066  -1.106   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.781  -1.519   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       4.495  -1.106   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.555  -2.584   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.269  -2.997   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.555  -1.759   0.000  1.00  0.00           C  
CONECT    1    2    9   12                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5   19   23                                            
CONECT    7    5                                                      
CONECT    8    4                                                      
CONECT    9    1   10                                                 
CONECT   10    9   11   25                                            
CONECT   11   10   12                                                 
CONECT   12   11    1   13                                            
CONECT   13   12   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   32                                            
CONECT   18   17   13                                                 
CONECT   19    6   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   29                                            
CONECT   22   21   23   24                                            
CONECT   23   22    6                                                 
CONECT   24   22                                                      
CONECT   25   10   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
CONECT   29   21   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30                                                      
CONECT   32   17   33   34                                            
CONECT   33   32                                                      
CONECT   34   32                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0U9LS
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.321   0.544   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.321  -0.281   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.607  -0.693   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.108  -0.281   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.108   0.544   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.607   0.957   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1       0.822  -0.693   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       1.537  -0.281   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.537   0.544   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.822   0.957   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.150   1.096   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.814   1.850   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.994   1.764   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.227   2.564   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.052   2.564   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.464   3.279   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.052   3.993   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.227   3.993   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.814   3.279   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.362  -0.281   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.949  -0.995   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.035  -0.693   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.750  -0.281   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.464  -0.693   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.464  -1.518   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.750  -1.931   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.035  -1.518   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.750  -2.756   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.035  -3.168   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.035  -3.993   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.989   3.279   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       1.813   3.279   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       3.463   1.850   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       2.639   1.850   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   22                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   20   21                                       
CONECT    9    8   10   11                                            
CONECT   10    9    5   13                                            
CONECT   11    9   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   10                                                 
CONECT   14   12   15   19                                            
CONECT   15   14   16   33                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14   31                                            
CONECT   20    8                                                      
CONECT   21    8                                                      
CONECT   22    2   23   27                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28                                            
CONECT   27   26   22                                                 
CONECT   28   26   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29                                                      
CONECT   31   19   32                                                 
CONECT   32   31                                                      
CONECT   33   15   34                                                 
CONECT   34   33                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0U9OH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143  -0.115   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -0.940   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -1.352   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715  -0.940   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715  -0.115   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429   0.298   0.000  1.00  0.00           C  
HETATM    7 BR   UNL     1      -2.858  -1.352   0.000  1.00  0.00          Br  
HETATM    8  C   UNL     1      -1.429   1.123   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.715   1.535   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1      -2.143   1.535   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.000   1.123   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.715   1.535   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.429   1.123   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       2.143   1.535   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       2.143   2.360   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.429   2.773   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.715   2.360   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.000   2.773   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.858   2.773   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       1.429   0.298   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.552  -2.168   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.991  -2.773   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.168  -2.711   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.297  -2.030   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.053  -1.241   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.113  -2.152   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4   21                                            
CONECT    4    3    5   25                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    2                                                      
CONECT    8    6    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   20                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   12   18                                            
CONECT   18   17                                                      
CONECT   19   15                                                      
CONECT   20   13                                                      
CONECT   21    3   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   26                                            
CONECT   25   24    4                                                 
CONECT   26   24                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0U9RB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.889  -0.683   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.889  -1.508   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.174  -1.921   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.540  -1.508   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.540  -0.683   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.174  -0.271   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.325  -1.763   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1       1.810  -1.096   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.325  -0.428   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.580   0.356   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.365   0.611   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.365   1.436   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       1.580   1.691   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       1.095   1.024   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.603  -0.271   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.603   0.554   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.317   0.967   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.032   0.554   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.032  -0.271   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.317  -0.683   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.032   1.921   0.000  1.00  0.00           C  
CONECT    1    2    6   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5   10                                            
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   21                                            
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15    1   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   12                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0U9TR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.912  -0.001   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.912  -0.826   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.198  -1.239   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.484  -0.826   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.484  -0.001   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.198   0.411   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.769   0.411   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.055  -0.001   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.769   1.236   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       0.660   0.411   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.374  -0.001   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.374  -0.826   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.089  -1.239   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.803  -0.826   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.803  -0.001   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.089   0.411   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.769  -1.239   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.769  -2.064   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.087   1.239   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1       1.262   1.239   0.000  1.00  0.00           F  
HETATM   21  F   UNL     1       2.087   2.064   0.000  1.00  0.00           F  
HETATM   22  F   UNL     1       2.912   1.239   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   17                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11   19                                            
CONECT   17    4   18                                                 
CONECT   18   17                                                      
CONECT   19   16   20   21   22                                       
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   19                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0U9UH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -1.650   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.786  -2.062   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.072  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786  -0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.357  -0.412   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.357   0.412   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.072   0.825   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.786   0.412   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.072   1.650   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.357   2.062   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.786   2.062   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.357  -0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.357  -1.650   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.072  -2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.786  -1.650   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.786  -0.825   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.072  -0.412   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1       2.501  -2.062   0.000  1.00  0.00           F  
HETATM   21  C   UNL     1      -2.501   1.650   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1   10                                            
CONECT    7    5    8   14                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    6                                                 
CONECT   11    9   12   13                                            
CONECT   12   11                                                      
CONECT   13   11   21                                                 
CONECT   14    7   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17                                                      
CONECT   21   13                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0U9WX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.824   0.084   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       0.001   0.080   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1       0.413   0.794   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.238   0.794   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.494   1.579   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.826   2.064   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.159   1.579   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.651   0.080   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       2.476   0.080   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.889  -0.635   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1       2.889   0.794   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.231   0.802   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.056   0.802   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.474   0.084   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.056  -0.634   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.231  -0.634   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.383   1.008   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.476  -1.349   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.889  -2.064   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.713  -2.064   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.126  -1.349   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.713  -0.635   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       1.651  -1.349   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1       1.166  -0.682   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       0.382  -0.937   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.382  -1.762   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       1.166  -2.017   0.000  1.00  0.00           N  
HETATM   28 CL   UNL     1       4.126   0.080   0.000  1.00  0.00          Cl  
HETATM   29  C   UNL     1      -3.301   0.084   0.000  1.00  0.00           C  
HETATM   30  F   UNL     1      -3.301  -0.741   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1      -4.126   0.084   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -3.301   0.909   0.000  1.00  0.00           F  
CONECT    1    2   12   16                                            
CONECT    2    1    3                                                 
CONECT    3    4    7    2   17                                       
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    3                                                 
CONECT    8    9    4                                                 
CONECT    9    8   10   11                                            
CONECT   10    9   18   22                                            
CONECT   11    9                                                      
CONECT   12    1   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   29                                            
CONECT   15   14   16                                                 
CONECT   16   15    1                                                 
CONECT   17    3                                                      
CONECT   18   10   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   10   28                                            
CONECT   23   18   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   23                                                 
CONECT   28   22                                                      
CONECT   29   14   30   31   32                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
M  END

$$$$
D0UA6W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.358   0.518   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.272  -0.302   0.000  1.00  0.00           N  
HETATM    3  N   UNL     1      -0.465  -0.473   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.052   0.241   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.604   0.854   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.885  -0.854   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.669  -0.599   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.282  -1.151   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.111  -1.958   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.326  -2.213   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.713  -1.661   0.000  1.00  0.00           C  
HETATM   12 CL   UNL     1      -0.928  -1.916   0.000  1.00  0.00          Cl  
HETATM   13  C   UNL     1       0.768   0.327   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       1.321  -0.286   0.000  1.00  0.00           O  
HETATM   15  C   UNL     1       2.074   0.050   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.988   0.870   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1       1.181   1.042   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.072   0.931   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.072   1.756   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.787   2.168   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.501   1.756   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.501   0.931   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.787   0.518   0.000  1.00  0.00           C  
HETATM   24 BR   UNL     1      -4.216   2.168   0.000  1.00  0.00          Br  
HETATM   25  C   UNL     1       2.789  -0.363   0.000  1.00  0.00           C  
HETATM   26  S   UNL     1      -0.432   1.661   0.000  1.00  0.00           S  
HETATM   27  C   UNL     1      -1.046   2.213   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.376  -1.077   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.201  -1.077   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.501   0.052   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1       3.089   0.766   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1       4.216   0.464   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       3.914  -0.663   0.000  1.00  0.00           F  
CONECT    1    2    5   18                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    1   26                                            
CONECT    6    2    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    6   12                                            
CONECT   12   11                                                      
CONECT   13    4   14   17                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   25                                            
CONECT   16   15   17                                                 
CONECT   17   16   13                                                 
CONECT   18    1   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   21                                                      
CONECT   25   15   28   29   30                                       
CONECT   26    5   27                                                 
CONECT   27   26                                                      
CONECT   28   25   29                                                 
CONECT   29   28   25                                                 
CONECT   30   25   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0UB5E
  -OEChem-09301911222D

 61 63  0     1  0  0  0  0  0999 V2000
    2.0000   -3.3100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    5.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -5.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    5.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    3.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5263    5.1900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    5.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -6.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    4.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588    6.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617    6.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -3.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -3.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7383    3.6074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1369    4.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573    5.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181   -0.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196   -0.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -6.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -5.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 14  1  0  0  0  0
  2 53  1  0  0  0  0
  3 23  2  0  0  0  0
  4 28  1  0  0  0  0
  4 60  1  0  0  0  0
  5 28  2  0  0  0  0
  6 35  1  0  0  0  0
  6 61  1  0  0  0  0
  7 33  2  0  0  0  0
 13  8  1  1  0  0  0
  8 23  1  0  0  0  0
  8 44  1  0  0  0  0
  9 16  1  0  0  0  0
  9 19  1  0  0  0  0
  9 45  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  2  0  0  0  0
 11 19  1  0  0  0  0
 11 25  1  0  0  0  0
 11 48  1  0  0  0  0
 12 24  1  0  0  0  0
 12 33  1  0  0  0  0
 12 54  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  1  0  0  0  0
 13 36  1  0  0  0  0
 14 16  1  0  0  0  0
 14 18  1  0  0  0  0
 14 37  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 28  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 20 22  2  0  0  0  0
 20 46  1  0  0  0  0
 21 26  1  0  0  0  0
 21 47  1  0  0  0  0
 22 27  1  0  0  0  0
 22 31  1  0  0  0  0
 23 24  1  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
 25 30  1  0  0  0  0
 25 32  2  0  0  0  0
 26 27  2  0  0  0  0
 27 51  1  0  0  0  0
 29 30  2  0  0  0  0
 29 33  1  0  0  0  0
 29 34  1  0  0  0  0
 30 52  1  0  0  0  0
 31 55  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
 32 35  1  0  0  0  0
 32 58  1  0  0  0  0
 34 35  2  0  0  0  0
 34 59  1  0  0  0  0
M  END

$$$$
D0UC2S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.072  -1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.072  -2.269   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.357  -2.681   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.357  -2.269   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.357  -1.444   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.357  -1.031   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.142  -2.524   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1       1.627  -1.856   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.142  -1.189   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.357  -0.206   0.000  1.00  0.00           N  
HETATM   11 BR   UNL     1      -1.786  -2.681   0.000  1.00  0.00          Br  
HETATM   12  C   UNL     1       0.357   0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.357   1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.072   1.444   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.072   2.269   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.357   2.681   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.357   2.269   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.357   1.444   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       1.786   1.031   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3   11                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1   10                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    5                                                 
CONECT   10    6   12                                                 
CONECT   11    2                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14   18                                            
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   14                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
M  END

$$$$
D0UC8I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.591   2.327   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.903   1.563   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.397   0.911   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.580   1.023   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.268   1.787   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.774   2.439   0.000  1.00  0.00           N  
HETATM    7  N   UNL     1      -0.451   1.899   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.074   0.371   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.249   0.371   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.163  -0.343   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.172  -1.097   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1       0.441  -1.649   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1       1.155  -1.236   0.000  1.00  0.00           N  
HETATM   14  N   UNL     1       0.984  -0.429   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.979  -1.268   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.531  -0.655   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.338  -0.827   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.593  -1.611   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.041  -2.224   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.234  -2.053   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1      -0.682  -2.666   0.000  1.00  0.00          Cl  
HETATM   22 CL   UNL     1      -2.296  -3.009   0.000  1.00  0.00          Cl  
HETATM   23  C   UNL     1       0.005   1.211   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.826   1.139   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.395   1.736   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       1.284   2.553   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       0.575   2.975   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.197   2.684   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.971   3.009   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.686   2.596   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.686   1.772   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.400   3.009   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.400   2.184   0.000  1.00  0.00           C  
HETATM   34  F   UNL     1      -3.400  -1.783   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5   23   28                                            
CONECT    8    4    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10                                                 
CONECT   15   11   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   34                                            
CONECT   19   18   20   22                                            
CONECT   20   19   15   21                                            
CONECT   21   20                                                      
CONECT   22   19                                                      
CONECT   23    7   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27    7                                                 
CONECT   29   26   30                                                 
CONECT   30   29   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
CONECT   34   18                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0UD4X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.463   0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.463   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.748  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.034   0.000   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.034   0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.748   1.238   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.319  -0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.605   0.000   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.890  -0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.176   0.000   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.461  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.253   0.000   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.968  -0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.682   0.000   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.968  -1.238   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       2.436  -0.336   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       2.988   0.278   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.575   0.992   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1       1.768   0.821   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       3.813   0.278   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.225  -0.437   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       5.050  -0.437   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       5.463   0.278   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       5.050   0.992   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       4.225   0.992   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13   16   19                                            
CONECT   15   13                                                      
CONECT   16   14   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0UD6X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.189  -0.342   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.189  -1.167   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.475  -1.580   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.760  -1.167   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.760  -0.342   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.475   0.070   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.904  -1.580   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.618  -1.167   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.332  -1.580   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.332  -2.405   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.618  -2.817   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.904  -2.405   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.025  -1.422   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.509  -0.755   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.025  -0.087   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.334  -0.755   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.747  -0.041   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       1.747  -1.469   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.572  -0.041   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.984   0.674   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.572   1.389   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.747   1.389   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.334   0.674   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.984   2.103   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       2.572   2.817   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1       3.809   2.103   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       4.222   2.817   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       5.047   2.817   0.000  1.00  0.00           C  
HETATM   29 CL   UNL     1      -5.047  -2.817   0.000  1.00  0.00          Cl  
HETATM   30  C   UNL     1      -1.475   0.895   0.000  1.00  0.00           C  
HETATM   31  F   UNL     1      -2.300   0.895   0.000  1.00  0.00           F  
HETATM   32  F   UNL     1      -1.475   1.720   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1      -0.650   0.895   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    6   15                                            
CONECT    6    5    1   30                                            
CONECT    7    2    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   29                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    4   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14    5                                                 
CONECT   16   14   17   18                                            
CONECT   17   16   19   23                                            
CONECT   18   16                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   17                                                 
CONECT   24   21   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27                                                      
CONECT   29   10                                                      
CONECT   30    6   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0UD9R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.665  -0.396   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.050  -0.808   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.764  -0.396   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.764   0.429   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.050   0.842   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.665   0.429   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.479   0.842   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.193   0.429   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1       1.479   1.667   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       2.908   0.842   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.622   0.429   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       4.337   0.842   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       4.337   1.667   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.622   2.079   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.908   1.667   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.622  -0.396   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.449   0.684   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.934   0.017   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1      -1.449  -0.650   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.862  -1.365   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.687  -1.365   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.099  -0.650   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.924  -0.650   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.337  -1.365   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.924  -2.079   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.099  -2.079   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.337   0.064   0.000  1.00  0.00           C  
CONECT    1    2    6   19                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   17                                            
CONECT    7    4    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   15                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   11                                                      
CONECT   17    6   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18    1   20                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24   27                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   23                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0UE4K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.846   0.877   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.846   0.052   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.132  -0.361   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.417   0.052   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.417   0.877   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.132   1.289   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.297   1.289   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.011   0.877   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.726   1.289   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.726   2.114   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.011   2.527   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.297   2.114   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.440   2.527   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.265   2.527   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.853   3.241   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       3.980   2.114   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1      -1.132  -1.186   0.000  1.00  0.00           N  
HETATM   18  S   UNL     1      -1.844  -1.597   0.000  1.00  0.00           S  
HETATM   19  O   UNL     1      -1.433  -2.309   0.000  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.255  -0.885   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.556  -2.008   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.556  -2.830   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.268  -3.241   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.980  -2.830   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.980  -2.008   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.268  -1.597   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3   17    2    4                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13   10   14   15                                            
CONECT   14   13   15   16                                            
CONECT   15   14   13                                                 
CONECT   16   14                                                      
CONECT   17   18    3                                                 
CONECT   18   19   20   21   17                                       
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   22   26   18                                            
CONECT   22   23   21                                                 
CONECT   23   24   22                                                 
CONECT   24   25   23                                                 
CONECT   25   26   24                                                 
CONECT   26   25   21                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0UE9B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.337   0.833   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.550   0.036   0.000  1.00  0.00           N  
HETATM    3  N   UNL     1       0.142  -0.414   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.783   0.106   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.487   0.876   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.856   1.474   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.580  -0.108   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       2.163   0.475   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1       1.793  -0.905   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1       2.960   0.262   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.185  -1.237   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.507  -1.687   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.464  -2.511   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.271  -2.885   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.963  -2.436   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.920  -1.612   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.560   2.244   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.079   2.885   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.894   2.756   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.190   1.986   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.671   1.345   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.960   1.690   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.917   0.866   0.000  1.00  0.00           C  
HETATM   24  S   UNL     1      -2.120   0.653   0.000  1.00  0.00           S  
CONECT    1    2    5    6                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   11                                            
CONECT    4    3    5    7                                            
CONECT    5    4    1                                                 
CONECT    6    1   17   21                                            
CONECT    7    4    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8                                                      
CONECT   11    3   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    6   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20    6   24                                            
CONECT   22   20   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   21                                                 
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0UE9K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786   1.422   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786   0.597   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072   0.185   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357   0.597   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.357   1.422   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.072   1.835   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.501   0.185   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.215   0.597   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.215   1.422   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.930   1.835   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.644   1.422   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.644   0.597   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.930   0.185   0.000  1.00  0.00           C  
HETATM   14 CL   UNL     1      -3.930  -0.640   0.000  1.00  0.00          Cl  
HETATM   15 CL   UNL     1      -2.544   1.878   0.000  1.00  0.00          Cl  
HETATM   16  C   UNL     1       0.357   0.185   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.072   0.597   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       0.357  -0.640   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       1.786   0.185   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.786  -0.640   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.501  -1.053   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.215  -0.640   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.215   0.185   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.501   0.597   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.501  -0.640   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.786  -1.053   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.072  -0.640   0.000  1.00  0.00           N  
HETATM   28  H   UNL     1      -5.359   1.835   0.000  1.00  0.00           H  
HETATM   29  O   UNL     1      -1.786  -1.878   0.000  1.00  0.00           O  
HETATM   30  O   UNL     1       3.930  -1.053   0.000  1.00  0.00           O  
HETATM   31  C   UNL     1       4.644  -0.640   0.000  1.00  0.00           C  
HETATM   32  F   UNL     1       5.359  -0.228   0.000  1.00  0.00           F  
HETATM   33  F   UNL     1       4.232   0.074   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1       5.057  -1.355   0.000  1.00  0.00           F  
CONECT    1    2    6   15                                            
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    2    8   25                                            
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   28                                            
CONECT   12   11   13                                                 
CONECT   13   12    8   14                                            
CONECT   14   13                                                      
CONECT   15    1                                                      
CONECT   16    4   17   18                                            
CONECT   17   16   19                                                 
CONECT   18   16                                                      
CONECT   19   17   20   24                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   30                                            
CONECT   23   22   24                                                 
CONECT   24   23   19                                                 
CONECT   25    7   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26                                                      
CONECT   28   11                                                      
CONECT   29   26                                                      
CONECT   30   22   31                                                 
CONECT   31   30   32   33   34                                       
CONECT   32   31                                                      
CONECT   33   31                                                      
CONECT   34   31                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0UF5V
  -OEChem-09301911122D

 51 54  0     0  0  0  0  0  0999 V2000
    9.8622    5.5173    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -4.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -4.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -5.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -3.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -3.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -5.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -5.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -3.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -5.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    3.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    4.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    4.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    5.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    5.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    5.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -6.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.8280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -2.8280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -6.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -6.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291   -2.1727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -3.6498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -3.6498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -5.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -5.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1860    1.0999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    0.4097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4762    0.4347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8747    1.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951   -0.6727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    2.2073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    3.7073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7272    3.7073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7272    5.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    6.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 24  2  0  0  0  0
  3 25  2  0  0  0  0
  4  5  1  0  0  0  0
  4 17  2  0  0  0  0
  5 24  1  0  0  0  0
  5 46  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 47  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  2  0  0  0  0
  9 17  1  0  0  0  0
 10 12  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 32  1  0  0  0  0
 13 18  2  0  0  0  0
 13 33  1  0  0  0  0
 14 19  1  0  0  0  0
 14 34  1  0  0  0  0
 15 20  2  0  0  0  0
 15 35  1  0  0  0  0
 16 21  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 20  1  0  0  0  0
 18 38  1  0  0  0  0
 19 21  2  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 25  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 48  1  0  0  0  0
 28 30  2  0  0  0  0
 28 49  1  0  0  0  0
 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
 30 50  1  0  0  0  0
 31 51  1  0  0  0  0
M  END

$$$$
D0UF8Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.417  -0.617   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.417   0.205   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.705   0.617   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.993   0.205   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.993  -0.617   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.705  -1.028   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -4.129  -1.028   0.000  1.00  0.00          Cl  
HETATM    8 CL   UNL     1      -2.705  -1.850   0.000  1.00  0.00          Cl  
HETATM    9  C   UNL     1      -1.281   0.617   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.281   1.439   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.569   1.850   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.143   1.439   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       0.143   0.617   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.569   0.205   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.857   0.204   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       1.572   0.617   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       0.857  -0.621   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.700   0.204   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.700  -0.621   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.415   0.617   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       3.415   1.442   0.000  1.00  0.00           N  
HETATM   22  O   UNL     1       4.129   0.204   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    1                                                      
CONECT    8    6                                                      
CONECT    9    4   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13    9                                                 
CONECT   15   13   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   19   20                                            
CONECT   19   18                                                      
CONECT   20   18   21   22                                            
CONECT   21   20                                                      
CONECT   22   20                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0UG5O
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.501  -1.470   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.501  -2.296   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.786  -2.708   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072  -2.296   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.072  -1.470   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.786  -1.058   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -3.215  -2.708   0.000  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -0.357  -1.058   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.786  -0.233   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.072   0.179   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -2.501   0.179   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.072   1.004   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.357  -2.708   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.357  -3.533   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.357  -2.296   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.072  -2.708   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.786  -2.296   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.786  -1.470   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.072  -1.058   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.357  -1.470   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.501  -1.058   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       3.215  -1.470   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.501  -0.233   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.357  -3.946   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.357   1.417   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.396   1.081   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       0.949   1.694   0.000  1.00  0.00           N  
HETATM   28  N   UNL     1       0.536   2.409   0.000  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.271   2.237   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.872   3.163   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1      -0.884   2.789   0.000  1.00  0.00           N  
HETATM   32  O   UNL     1       0.568   0.274   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1      -0.798   3.610   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.552   3.946   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.104   3.332   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.691   2.618   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1    9                                            
CONECT    7    2                                                      
CONECT    8    5                                                      
CONECT    9    6   10   11                                            
CONECT   10    9   12                                                 
CONECT   11    9                                                      
CONECT   12   10   25                                                 
CONECT   13    4   14   15                                            
CONECT   14   13   24                                                 
CONECT   15   13   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22   23                                            
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24   14                                                      
CONECT   25   12   26   29                                            
CONECT   26   25   27   32                                            
CONECT   27   26   28                                                 
CONECT   28   27   29   30                                            
CONECT   29   28   25   31                                            
CONECT   30   28                                                      
CONECT   31   29   33   36                                            
CONECT   32   26                                                      
CONECT   33   31   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0UG5Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.320   1.552   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.320   0.727   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.606   0.315   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.892   0.727   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.892   1.552   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.606   1.965   0.000  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.177   1.965   0.000  1.00  0.00           O  
HETATM    8 CL   UNL     1      -5.035   0.315   0.000  1.00  0.00          Cl  
HETATM    9  C   UNL     1      -2.177   0.315   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.091  -0.506   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.284  -0.677   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.871   0.037   0.000  1.00  0.00           N  
HETATM   13  N   UNL     1      -1.423   0.650   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.051   0.124   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.285   0.877   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       0.434  -0.544   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.098  -1.297   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.583  -1.965   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.404  -1.879   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.739  -1.125   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.255  -0.458   0.000  1.00  0.00           C  
HETATM   22  S   UNL     1       2.560  -1.039   0.000  1.00  0.00           S  
HETATM   23  N   UNL     1       3.385  -1.039   0.000  1.00  0.00           N  
HETATM   24  O   UNL     1       2.560  -0.214   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1       2.560  -1.864   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       3.797  -1.753   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.622  -1.753   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1       5.035  -1.039   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       4.622  -0.324   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.797  -0.324   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    9                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5                                                      
CONECT    8    2                                                      
CONECT    9    4   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12    9                                                 
CONECT   14   12   15   16                                            
CONECT   15   14                                                      
CONECT   16   14   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20   16                                                 
CONECT   22   20   23   24   25                                       
CONECT   23   22   26   30                                            
CONECT   24   22                                                      
CONECT   25   22                                                      
CONECT   26   23   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   23                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0UG8S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.787  -1.819   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.787  -2.644   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.073  -3.057   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.358  -2.644   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.358  -1.819   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.073  -1.407   0.000  1.00  0.00           C  
HETATM    7  S   UNL     1       0.255  -1.267   0.000  1.00  0.00           S  
HETATM    8  C   UNL     1      -0.081  -0.513   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.901  -0.600   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1       0.332   0.201   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.157   0.201   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.569   0.916   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.157   1.630   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.332   1.630   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.081   0.916   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.356  -3.057   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.070  -2.644   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.785  -3.057   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.499  -2.644   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.499  -1.819   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       1.785  -1.407   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       1.070  -1.819   0.000  1.00  0.00           N  
HETATM   23  N   UNL     1       3.214  -3.057   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.081   2.345   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.492   3.057   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.502  -1.407   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1      -3.214  -0.995   0.000  1.00  0.00           N  
CONECT    1   26    2    6                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   16                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1    9                                            
CONECT    7    5    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8    6                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   24   13   15                                            
CONECT   15   14   10                                                 
CONECT   16    4   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   19                                                      
CONECT   24   25   14                                                 
CONECT   25   24                                                      
CONECT   26   27    1                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0UH8J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.367  -1.444   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.367  -2.269   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.653  -2.681   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.062  -2.269   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.062  -1.444   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.653  -1.031   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.776  -2.681   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       1.491  -2.269   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1       2.244  -2.604   0.000  1.00  0.00           S  
HETATM   10  N   UNL     1       2.796  -1.991   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       2.384  -1.277   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.577  -1.448   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.719  -0.523   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.082  -1.031   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.082  -0.206   0.000  1.00  0.00           O  
HETATM   16  N   UNL     1      -2.796  -1.444   0.000  1.00  0.00           N  
HETATM   17  N   UNL     1      -0.653  -0.206   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.062   0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.776  -0.206   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.491   0.206   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.491   1.031   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       0.776   1.444   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       0.062   1.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.776   2.269   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.491   2.681   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1       0.062   2.681   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1       2.205   2.269   0.000  1.00  0.00           C  
CONECT    1    2    6   14                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1   17                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   13                                            
CONECT   12   11    8                                                 
CONECT   13   11                                                      
CONECT   14    1   15   16                                            
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17    6   18                                                 
CONECT   18   19   23   17                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   18                                                 
CONECT   24   22   25   26                                            
CONECT   25   24   27                                                 
CONECT   26   24                                                      
CONECT   27   25                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0UI9T
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786  -1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.786  -0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.072  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.072   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.786   0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.501   0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.501  -0.412   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.786   1.650   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.072   2.062   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.357   1.650   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.357   2.062   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.072   1.650   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.786   2.062   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.786   2.888   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.072   3.300   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.357   2.888   0.000  1.00  0.00           C  
HETATM   17 CL   UNL     1       2.501   3.300   0.000  1.00  0.00          Cl  
HETATM   18  H   UNL     1      -2.501   1.238   0.000  1.00  0.00           H  
HETATM   19  H   UNL     1      -2.501  -1.238   0.000  1.00  0.00           H  
HETATM   20  C   UNL     1      -2.501  -2.062   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.501  -2.888   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.786  -3.300   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.072  -2.888   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.072  -2.062   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.357  -3.300   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       0.357  -2.888   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       0.357  -2.062   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.357  -1.650   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1       1.072  -1.650   0.000  1.00  0.00           F  
HETATM   30  O   UNL     1      -1.072   2.888   0.000  1.00  0.00           O  
CONECT    1    2   20   24                                            
CONECT    2    1    3    7   19                                       
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8   18                                       
CONECT    6    5    7                                                 
CONECT    7    6    2                                                 
CONECT    8    5    9                                                 
CONECT    9    8   10   30                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   14                                                      
CONECT   18    5                                                      
CONECT   19    2                                                      
CONECT   20    1   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   25                                            
CONECT   24   23    1   28                                            
CONECT   25   23   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27   24                                                 
CONECT   29   27                                                      
CONECT   30    9                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0UJ5D
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.237  -0.590   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.237  -1.415   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.478  -1.827   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.192  -1.415   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.192  -0.590   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.478  -0.177   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.977  -1.669   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.462  -1.002   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.977  -0.335   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1       3.287  -1.002   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       3.699  -0.288   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       4.524  -0.288   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       4.937   0.427   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       4.524   1.141   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.699   1.141   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.287   0.427   0.000  1.00  0.00           C  
HETATM   17 CL   UNL     1       4.937  -1.002   0.000  1.00  0.00          Cl  
HETATM   18  C   UNL     1       2.232  -2.454   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.951  -0.177   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.665  -0.590   0.000  1.00  0.00           N  
HETATM   21  O   UNL     1      -0.951   0.648   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.380  -0.177   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.380   0.648   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.095   1.060   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.809   0.648   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.809  -0.177   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.095  -0.590   0.000  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.951  -1.827   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.951  -2.652   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.665  -3.065   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1      -1.665  -3.890   0.000  1.00  0.00           O  
HETATM   32 CL   UNL     1       2.462   0.427   0.000  1.00  0.00          Cl  
HETATM   33  C   UNL     1       3.287   1.856   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       3.699   2.570   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       3.287   3.285   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.699   3.999   0.000  1.00  0.00           C  
HETATM   37  O   UNL     1       2.462   3.285   0.000  1.00  0.00           O  
HETATM   38  C   UNL     1       4.496   3.786   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       4.283   4.582   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.952  -4.715   0.000  1.00  0.00           C  
HETATM   41  F   UNL     1      -1.667  -5.127   0.000  1.00  0.00           F  
HETATM   42  F   UNL     1      -0.952  -3.890   0.000  1.00  0.00           F  
HETATM   43  C   UNL     1       2.985   4.413   0.000  1.00  0.00           C  
HETATM   44  F   UNL     1       3.397   5.127   0.000  1.00  0.00           F  
HETATM   45  F   UNL     1       3.699   4.000   0.000  1.00  0.00           F  
HETATM   46  F   UNL     1       2.572   3.698   0.000  1.00  0.00           F  
HETATM   47  C   UNL     1      -4.524   1.060   0.000  1.00  0.00           C  
HETATM   48  F   UNL     1      -4.112   1.775   0.000  1.00  0.00           F  
HETATM   49  F   UNL     1      -3.810   0.648   0.000  1.00  0.00           F  
HETATM   50  F   UNL     1      -4.937   0.346   0.000  1.00  0.00           F  
CONECT    1    2    6   19                                            
CONECT    2    1    3   28                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   18                                            
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   33                                            
CONECT   16   15   11   32                                            
CONECT   17   12                                                      
CONECT   18    7                                                      
CONECT   19    1   20   21                                            
CONECT   20   19   22                                                 
CONECT   21   19                                                      
CONECT   22   23   27   20                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   47                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28    2   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   40                                                 
CONECT   32   16                                                      
CONECT   33   15   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36   37                                            
CONECT   36   35   38   39   43                                       
CONECT   37   35                                                      
CONECT   38   36   39                                                 
CONECT   39   38   36                                                 
CONECT   40   31   41   42                                            
CONECT   41   40                                                      
CONECT   42   40                                                      
CONECT   43   36   44   45   46                                       
CONECT   44   43                                                      
CONECT   45   43                                                      
CONECT   46   43                                                      
CONECT   47   25   48   49   50                                       
CONECT   48   47                                                      
CONECT   49   47                                                      
CONECT   50   47                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
M  END

$$$$
D0UJ8Z
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.274  -0.973   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.274  -1.795   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.561  -2.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.150  -1.795   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.150  -0.973   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.561  -0.561   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -1.986  -0.561   0.000  1.00  0.00          Cl  
HETATM    8 CL   UNL     1      -1.986  -2.206   0.000  1.00  0.00          Cl  
HETATM    9  C   UNL     1       0.863  -0.561   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       1.574  -0.973   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       0.863   0.261   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.274   0.973   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.451   0.973   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.986   1.384   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.261   1.384   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.261   2.206   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1      -0.973   0.973   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    2                                                      
CONECT    9    5   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   12   13                                            
CONECT   12   11   13   14                                            
CONECT   13   12   11   15                                            
CONECT   14   12                                                      
CONECT   15   13   16   17                                            
CONECT   16   15                                                      
CONECT   17   15                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END
M  END

$$$$
D0UK7K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.893  -1.571   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.893  -2.396   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.179  -2.809   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.464  -2.396   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.464  -1.571   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.179  -1.159   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.179  -0.334   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.750  -2.809   0.000  1.00  0.00           O  
HETATM    9  O   UNL     1      -3.607  -2.809   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.464   0.079   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.464   0.904   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.750   1.316   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.750   2.141   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.464   2.554   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.179   2.141   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.179   1.316   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.035   1.061   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.520   1.729   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.035   2.396   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.035   3.221   0.000  1.00  0.00           C  
HETATM   21  H   UNL     1      -0.750   0.491   0.000  1.00  0.00           H  
HETATM   22  C   UNL     1      -0.679   3.634   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.750   3.634   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.464   3.221   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       2.179   3.634   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.893   3.221   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.607   3.634   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.893   2.396   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       3.607   2.809   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -0.663   2.962   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.179  -3.634   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    9                                            
CONECT    3    2    4   31                                            
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6   10                                                 
CONECT    8    4                                                      
CONECT    9    2                                                      
CONECT   10    7   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13   17   21                                       
CONECT   13   12   14   19   30                                       
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   12   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   13   20                                            
CONECT   20   19   22   23                                            
CONECT   21   12                                                      
CONECT   22   20                                                      
CONECT   23   20   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30   13                                                      
CONECT   31    3                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0UK9U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143   4.950   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143   4.125   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429   3.712   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715   4.125   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715   4.950   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429   5.362   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.000   3.712   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.715   4.125   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.715   4.950   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       0.000   5.362   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.429   3.712   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.143   4.125   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.143   4.950   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.429   5.362   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.858   5.362   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       2.858   5.362   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       0.000   2.888   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.715   2.475   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.715   1.650   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.000   1.238   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.715   1.650   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.715   2.475   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.429   2.888   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       0.000   0.412   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.715   0.000   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.715  -0.825   0.000  1.00  0.00           N  
HETATM   27  S   UNL     1      -1.429   0.412   0.000  1.00  0.00           S  
HETATM   28  C   UNL     1      -1.429  -1.238   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.429  -2.062   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.143  -2.475   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.143  -3.300   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.429  -3.712   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.715  -3.300   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.715  -2.475   0.000  1.00  0.00           C  
HETATM   35  S   UNL     1      -1.429  -4.537   0.000  1.00  0.00           S  
HETATM   36  O   UNL     1      -0.604  -4.537   0.000  1.00  0.00           O  
HETATM   37  O   UNL     1      -1.429  -5.362   0.000  1.00  0.00           O  
HETATM   38  N   UNL     1      -2.254  -4.537   0.000  1.00  0.00           N  
CONECT    1    2    6   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   17                                            
CONECT    8    7    9   11                                            
CONECT    9    8   10   14                                            
CONECT   10    9    5                                                 
CONECT   11    8   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13    9                                                 
CONECT   15    1                                                      
CONECT   16   13                                                      
CONECT   17    7   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21   24                                            
CONECT   21   20   22                                                 
CONECT   22   21   17   23                                            
CONECT   23   22                                                      
CONECT   24   20   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   28                                                 
CONECT   27   25                                                      
CONECT   28   26   29                                                 
CONECT   29   28   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33   35                                            
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
CONECT   35   32   36   37   38                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0UL2R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.238   0.240   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.238  -0.585   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.523  -0.997   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.191  -0.585   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.191   0.240   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.523   0.653   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.905   0.653   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.620   0.240   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1       0.905   1.478   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       2.334   0.653   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.049   0.240   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.763   0.653   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       3.763   1.478   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.049   1.890   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.334   1.478   0.000  1.00  0.00           C  
HETATM   16 CL   UNL     1       4.478   1.890   0.000  1.00  0.00          Cl  
HETATM   17 CL   UNL     1       4.478   0.240   0.000  1.00  0.00          Cl  
HETATM   18  N   UNL     1      -1.851  -1.137   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1      -1.516  -1.890   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.695  -1.804   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.648  -0.923   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.861  -0.126   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.475  -0.018   0.000  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.478   0.984   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4   20                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13                                                      
CONECT   17   12                                                      
CONECT   18    2   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19    3                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23                                                 
CONECT   23   24   22                                                 
CONECT   24   23                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0UL2V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.109   1.589   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.109   0.764   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.324   0.509   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.161   1.177   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.324   1.844   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.776   0.280   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.069   2.629   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.986   1.177   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       1.398   0.463   0.000  1.00  0.00           O  
HETATM   10  O   UNL     1       1.398   1.891   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       2.223   1.891   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.069  -0.275   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.621  -0.888   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.366  -1.673   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.441  -1.844   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1       0.993  -1.231   0.000  1.00  0.00           O  
HETATM   17  O   UNL     1       0.696  -2.629   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       1.800  -1.403   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.352  -0.790   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.055  -2.187   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.597  -1.616   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.597   0.193   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.112  -0.474   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.778   2.076   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.953   2.076   0.000  1.00  0.00           N  
CONECT    1    2    5   24                                            
CONECT    2    1    3    6                                            
CONECT    3    2    4   12                                            
CONECT    4    3    5    8                                            
CONECT    5    4    1    7                                            
CONECT    6    2   22   23                                            
CONECT    7    5                                                      
CONECT    8    4    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11                                                 
CONECT   11   10                                                      
CONECT   12    3   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   17                                            
CONECT   16   15   18                                                 
CONECT   17   15                                                      
CONECT   18   16   19   20   21                                       
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   18                                                      
CONECT   22    6   23                                                 
CONECT   23   22    6                                                 
CONECT   24    1   25                                                 
CONECT   25   24                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0UL9W
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.126   0.263   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.641  -0.405   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.144  -0.150   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.144   0.675   0.000  1.00  0.00           C  
HETATM    5  S   UNL     1      -0.641   0.930   0.000  1.00  0.00           S  
HETATM    6  C   UNL     1       0.788  -0.664   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.593  -0.481   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.950   0.263   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       1.593   1.006   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.788   1.189   0.000  1.00  0.00           C  
HETATM   11 CL   UNL     1      -1.950   0.263   0.000  1.00  0.00          Cl  
HETATM   12 CL   UNL     1      -0.896  -1.189   0.000  1.00  0.00          Cl  
CONECT    1    2    5   11                                            
CONECT    2    1    3   12                                            
CONECT    3    2    4    6                                            
CONECT    4    3    5   10                                            
CONECT    5    4    1                                                 
CONECT    6    3    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9    4                                                 
CONECT   11    1                                                      
CONECT   12    2                                                      
MASTER        0    0    0    0    0    0    0    0   12    0   12    0
END
M  END

$$$$
D0UM5R
  -OEChem-09301911182D

 50 52  0     1  0  0  0  0  0999 V2000
    7.7183    4.4074    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7183    5.4074    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7183    4.4074    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3998   -3.0519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7838   -5.4074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1202   -0.0926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8771   -3.6278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2783   -4.4368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9862   -1.5926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9510   -2.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6203   -2.9587    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1202   -2.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4862   -3.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2838   -4.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8522   -0.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9862   -0.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7183    0.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3522   -0.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3522    0.7734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7183    1.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8522    1.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5843    1.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8522    2.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5843    2.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7183    3.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7183    4.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6134   -2.7355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3180   -1.0051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4146   -0.7116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5114   -1.5247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7089   -2.4539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -1.4821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5586   -2.5310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2706   -3.4989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6932   -4.8976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5231   -1.9026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9303   -0.1752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3288    0.5150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8153   -1.2687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6622   -1.4956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8892   -0.6487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8892    1.0834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0422    1.3103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8153    0.4634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3153    1.5974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1212    1.5974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3153    3.2174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1212    3.2174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  1  0  0  0  0
  2 28  1  0  0  0  0
  3 28  1  0  0  0  0
  4 15  2  0  0  0  0
  5 16  2  0  0  0  0
  6 18  2  0  0  0  0
  7 13  1  0  0  0  0
  7 16  1  0  0  0  0
  7 36  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 37  1  0  0  0  0
  9 14  1  0  0  0  0
  9 18  1  0  0  0  0
  9 38  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 47  1  0  0  0  0
 24 26  2  0  0  0  0
 24 48  1  0  0  0  0
 25 27  2  0  0  0  0
 25 49  1  0  0  0  0
 26 27  1  0  0  0  0
 26 50  1  0  0  0  0
 27 28  1  0  0  0  0
M  END

$$$$
D0UN4M
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.848  -0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.848  -1.031   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.133  -1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.419  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.419  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.133   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.562   0.206   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.296   0.206   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.010  -0.206   0.000  1.00  0.00           N  
HETATM   10  O   UNL     1       0.296   1.031   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       1.725   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.439  -0.206   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       3.154   0.206   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       3.154   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.439   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.725   1.031   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.439  -1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.725  -1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.725  -2.269   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.439  -2.681   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.154  -2.269   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.154  -1.444   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.648   1.027   0.000  1.00  0.00           N  
HETATM   24  N   UNL     1      -3.455   1.198   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.868   0.484   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.316  -0.129   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.791   1.952   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1       0.296  -1.444   0.000  1.00  0.00           F  
HETATM   29  C   UNL     1       3.868   1.444   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.868   2.269   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       3.154   2.681   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       2.439   2.269   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       1.725   2.681   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1      -2.563  -1.444   0.000  1.00  0.00           C  
HETATM   35  F   UNL     1      -1.854  -2.672   0.000  1.00  0.00           F  
HETATM   36  F   UNL     1      -3.791  -2.153   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -3.272  -0.216   0.000  1.00  0.00           F  
CONECT    1    2    6    7                                            
CONECT    2    1    3   34                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   28                                            
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    1   23   26                                            
CONECT    8    5    9   10                                            
CONECT    9    8   11                                                 
CONECT   10    8                                                      
CONECT   11    9   12   16                                            
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   29                                            
CONECT   15   14   16   32                                            
CONECT   16   15   11                                                 
CONECT   17   12   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23    7   24                                                 
CONECT   24   23   25   27                                            
CONECT   25   24   26                                                 
CONECT   26   25    7                                                 
CONECT   27   24                                                      
CONECT   28    4                                                      
CONECT   29   14   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   15   33                                            
CONECT   33   32                                                      
CONECT   34   35   36   37    2                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END

$$$$

$$$$

$$$$
D0UN9X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.158   0.015   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.158  -0.810   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.443  -1.223   0.000  1.00  0.00           N  
HETATM    4  N   UNL     1       0.271  -0.810   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       0.271   0.015   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.443   0.427   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.872  -1.223   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.587  -0.810   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.301  -1.223   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.301  -2.048   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.587  -2.460   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.872  -2.048   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.056  -1.065   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.541  -0.398   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       1.056   0.270   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.443   1.252   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.366  -0.398   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.778   0.317   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       2.778  -1.112   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       3.603   0.317   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.016   1.031   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       3.603   1.746   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.778   1.746   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.366   1.031   0.000  1.00  0.00           C  
HETATM   25  F   UNL     1      -4.016  -2.460   0.000  1.00  0.00           F  
HETATM   26  C   UNL     1       0.271   1.665   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.158   1.665   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.443   2.077   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.651   1.444   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.651   0.619   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       2.366   2.460   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    6   15                                            
CONECT    6    5    1   16                                            
CONECT    7    2    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11   25                                            
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    4   14                                                 
CONECT   14   13   15   17                                            
CONECT   15   14    5                                                 
CONECT   16    6   26   27   28                                       
CONECT   17   14   18   19                                            
CONECT   18   17   20   24                                            
CONECT   19   17                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   31                                            
CONECT   24   23   18   29   30                                       
CONECT   25   10                                                      
CONECT   26   16                                                      
CONECT   27   16                                                      
CONECT   28   16                                                      
CONECT   29   24                                                      
CONECT   30   24                                                      
CONECT   31   23                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0UQ2G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.401   0.396   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.155  -0.392   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.351  -0.573   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.791   0.034   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.037   0.821   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.842   1.002   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.947  -1.292   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.138  -1.130   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.042  -0.311   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.322   0.093   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.613  -0.328   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.106   0.076   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       0.116   0.901   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1       0.816  -0.345   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.623  -1.153   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.342  -1.557   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.087  -1.574   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.535   0.059   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.245  -0.362   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.964   0.042   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.974   0.867   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.264   1.288   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.545   0.884   0.000  1.00  0.00           C  
HETATM   24  S   UNL     1       4.401   0.447   0.000  1.00  0.00           S  
HETATM   25  C   UNL     1       3.687   0.859   0.000  1.00  0.00           C  
HETATM   26  F   UNL     1       3.274   0.145   0.000  1.00  0.00           F  
HETATM   27  F   UNL     1       2.972   1.272   0.000  1.00  0.00           F  
HETATM   28  F   UNL     1       4.099   1.574   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    4   10                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   15                                            
CONECT   12   11   13   14                                            
CONECT   13   12                                                      
CONECT   14   12   18                                                 
CONECT   15   11   16   17                                            
CONECT   16   15                                                      
CONECT   17   15                                                      
CONECT   18   14   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26   27   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END

$$$$

$$$$

$$$$
D0UQ2R
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.972  -1.615   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.718  -2.397   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.913  -2.568   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.363  -1.957   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.617  -1.175   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.421  -1.004   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.541  -1.957   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.287  -1.175   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.952  -0.692   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.009  -2.568   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.813  -2.397   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.067  -1.615   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.517  -1.004   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.952   0.130   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.240   0.541   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.240   1.364   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.472   1.775   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.472   2.597   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1      -1.664   0.541   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.240   3.008   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1       1.363  -3.008   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       2.167  -2.837   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.972  -2.666   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   10                                            
CONECT    8    7    9   13                                            
CONECT    9    8    5   14                                            
CONECT   10    7   11                                                 
CONECT   11   10   12   21                                            
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    9   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   20                                                 
CONECT   19   14                                                      
CONECT   20   18                                                      
CONECT   21   22   11                                                 
CONECT   22   23   21                                                 
CONECT   23   22                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0UR1H
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -5.001   2.681   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.001   1.856   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.287   1.444   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.572   1.856   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.572   2.681   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.287   3.094   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.858   1.444   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.143   1.856   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.429   1.444   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.429   0.619   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1      -0.715   1.856   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.000   1.444   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.715   1.856   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       0.715   2.681   0.000  1.00  0.00           O  
HETATM   15  N   UNL     1       1.429   1.444   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       1.429   0.619   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.143   0.206   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       2.858   0.619   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       2.858   1.444   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       2.143   1.856   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.572   0.206   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.572  -0.619   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.287  -1.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       5.001  -0.619   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.001   0.206   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.287   0.619   0.000  1.00  0.00           C  
HETATM   27 CL   UNL     1       4.287   1.444   0.000  1.00  0.00          Cl  
HETATM   28  C   UNL     1       0.000   0.619   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       0.715   0.206   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       0.715  -0.619   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.429  -1.031   0.000  1.00  0.00           C  
HETATM   32  N   UNL     1       1.429  -1.856   0.000  1.00  0.00           N  
HETATM   33  C   UNL     1       2.143  -2.269   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       2.143  -3.094   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       2.858  -1.856   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       3.572  -2.269   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9                                                      
CONECT   11    9   12                                                 
CONECT   12   11   13   28                                            
CONECT   13   12   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21   27                                            
CONECT   27   26                                                      
CONECT   28   12   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34   35                                            
CONECT   34   33                                                      
CONECT   35   33   36                                                 
CONECT   36   35                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0UT0X
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.215  -1.238   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.215  -2.062   0.000  1.00  0.00           C  
HETATM    3  S   UNL     1      -1.786  -2.062   0.000  1.00  0.00           S  
HETATM    4  C   UNL     1      -1.786  -1.238   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.501  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.930  -0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.644  -1.238   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.644  -2.062   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.930  -2.475   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.072  -0.825   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.357  -1.238   0.000  1.00  0.00           N  
HETATM   12  N   UNL     1       0.357  -0.825   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.072  -1.238   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.072  -2.062   0.000  1.00  0.00           N  
HETATM   15  N   UNL     1       1.786  -0.825   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       2.501  -1.238   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.215  -0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.930  -1.238   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       4.644  -0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.644   0.000   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.930   0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.215   0.000   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.930   1.238   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       4.644   1.650   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1       3.215   1.650   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1       4.644   2.475   0.000  1.00  0.00           C  
CONECT    1    2    5    6                                            
CONECT    2    1    9    3                                            
CONECT    3    4    2                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    1                                                 
CONECT    6    1    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    4   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13                                                      
CONECT   15   13   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   23                                            
CONECT   22   21   17                                                 
CONECT   23   21   24   25                                            
CONECT   24   23   26                                                 
CONECT   25   23                                                      
CONECT   26   24                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0UT1G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.137   0.358   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.423   0.770   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.708   0.358   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.994   0.770   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.280   0.358   0.000  1.00  0.00           N  
HETATM    6  O   UNL     1      -1.994   1.595   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.708  -0.467   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.565   0.770   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.121   0.312   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       0.907   0.564   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       1.201   1.335   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.781   2.045   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.036   2.160   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.635   1.592   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       0.121  -0.512   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       2.026   1.335   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.431   2.045   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.026   2.755   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.201   2.755   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.320  -0.151   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.116  -0.364   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.330  -1.161   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.127  -1.375   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.710  -0.791   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.497   0.005   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.700   0.219   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.747  -1.745   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.960  -2.542   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.757  -2.755   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.341  -2.172   0.000  1.00  0.00           C  
HETATM   31 BR   UNL     1       4.137  -2.385   0.000  1.00  0.00          Br  
HETATM   32  O   UNL     1       3.055   0.839   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       3.769   0.427   0.000  1.00  0.00           C  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    6                                            
CONECT    5    4    8                                                 
CONECT    6    4                                                      
CONECT    7    3                                                      
CONECT    8    5    9   14                                            
CONECT    9    8   10   15                                            
CONECT   10    9   11   20                                            
CONECT   11   10   12   16                                            
CONECT   12   11   13   19                                            
CONECT   13   12   14                                                 
CONECT   14   13    8                                                 
CONECT   15    9                                                      
CONECT   16   11   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   12                                                 
CONECT   20   10   21                                                 
CONECT   21   20   22   26                                            
CONECT   22   21   23   27                                            
CONECT   23   22   24   30                                            
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21   32                                            
CONECT   27   22   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   23   31                                            
CONECT   31   30                                                      
CONECT   32   26   33                                                 
CONECT   33   32                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0UT9H
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.113  -0.633   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.827  -1.045   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.398  -1.045   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.316  -0.633   0.000  1.00  0.00           C  
HETATM    5  O   UNL     1       1.030  -1.045   0.000  1.00  0.00           O  
HETATM    6  O   UNL     1       0.316   0.192   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1       1.745  -0.633   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.745   0.192   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.459   0.605   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.174   0.192   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.174  -0.633   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.459  -1.045   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.459   1.430   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.387  -1.430   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       3.971  -0.846   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.542  -0.633   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.256  -1.045   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.971  -0.633   0.000  1.00  0.00           C  
CONECT    1    2    3                                                 
CONECT    2    1   16                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5    6                                            
CONECT    5    4    7                                                 
CONECT    6    4                                                      
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11                                                 
CONECT   11   10   12   14   15                                       
CONECT   12   11    7                                                 
CONECT   13    9                                                      
CONECT   14   11                                                      
CONECT   15   11                                                      
CONECT   16    2   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D0UU0V
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143   1.031   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -0.206   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715   0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715   1.031   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429   1.444   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.000  -0.206   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.715   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.429  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.143   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.143   1.031   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.429   1.444   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.715   1.031   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.858  -0.206   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.858  -1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.572  -1.444   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.287  -1.031   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       4.287  -0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.572   0.206   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       3.572   1.031   0.000  1.00  0.00           O  
HETATM   21  C   UNL     1       4.287   1.444   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.858  -0.206   0.000  1.00  0.00           C  
HETATM   23  S   UNL     1      -3.572   0.206   0.000  1.00  0.00           S  
HETATM   24  O   UNL     1      -3.160   0.921   0.000  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.985  -0.508   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1      -4.287   0.619   0.000  1.00  0.00           N  
CONECT    1    2    6                                                 
CONECT    2    1    3   22                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14   20                                            
CONECT   20   19   21                                                 
CONECT   21   20                                                      
CONECT   22    2   23                                                 
CONECT   23   22   24   25   26                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0UU2U
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.677   0.964   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.677   0.139   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.037  -0.274   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.752   0.139   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.752   0.964   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.037   1.376   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.462   1.219   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.947   0.551   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.462  -0.116   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.466   1.376   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.220   1.041   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       2.772   1.654   0.000  1.00  0.00           N  
HETATM   13  O   UNL     1       2.359   2.368   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.552   2.197   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.391   0.234   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.939   2.749   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.037  -1.099   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.677  -1.511   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.677  -2.336   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1       0.037  -2.749   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.752  -2.336   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.752  -1.511   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.392  -1.099   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.772   0.551   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   17                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9   24                                            
CONECT    9    8    2                                                 
CONECT   10    5   11   14                                            
CONECT   11   10   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   10   16                                            
CONECT   15   11                                                      
CONECT   16   14                                                      
CONECT   17    3   18   22                                            
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   18                                                      
CONECT   24    8                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0UU5N
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -8.150   0.106   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.150  -0.719   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.436  -1.131   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.721  -0.719   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.721   0.106   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.436   0.518   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.007  -1.131   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.292  -0.719   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.292   0.106   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -6.007   0.518   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.578  -1.131   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.864  -0.719   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.149  -1.131   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.434  -0.719   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.434   0.106   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.149   0.518   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.864   0.106   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.720  -1.131   0.000  1.00  0.00           C  
HETATM   19  S   UNL     1      -1.720  -1.956   0.000  1.00  0.00           S  
HETATM   20  C   UNL     1      -1.006  -0.719   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.895  -1.956   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.483  -2.671   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.342  -2.671   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       0.755  -3.385   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       1.580  -3.385   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.992  -2.671   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.817  -2.671   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.230  -1.956   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.055  -1.956   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       4.467  -1.242   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       5.292  -1.242   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       6.007  -1.655   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       6.721  -1.242   0.000  1.00  0.00           C  
HETATM   34  N   UNL     1       6.721  -0.417   0.000  1.00  0.00           N  
HETATM   35  C   UNL     1       6.007  -0.005   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       5.292  -0.417   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       7.436  -0.005   0.000  1.00  0.00           C  
HETATM   38  N   UNL     1       8.150  -0.417   0.000  1.00  0.00           N  
HETATM   39  C   UNL     1       8.865  -0.005   0.000  1.00  0.00           C  
HETATM   40  N   UNL     1       8.865   0.820   0.000  1.00  0.00           N  
HETATM   41  C   UNL     1       8.150   1.233   0.000  1.00  0.00           C  
HETATM   42  N   UNL     1       7.436   0.820   0.000  1.00  0.00           N  
HETATM   43  N   UNL     1       9.579  -0.417   0.000  1.00  0.00           N  
HETATM   44  C   UNL     1       9.579  -1.242   0.000  1.00  0.00           C  
HETATM   45  C   UNL     1      10.294  -1.655   0.000  1.00  0.00           C  
HETATM   46  O   UNL     1      11.008  -1.242   0.000  1.00  0.00           O  
HETATM   47  C   UNL     1      11.008  -0.417   0.000  1.00  0.00           C  
HETATM   48  C   UNL     1      10.294  -0.005   0.000  1.00  0.00           C  
HETATM   49  N   UNL     1       8.150   2.058   0.000  1.00  0.00           N  
HETATM   50  C   UNL     1       8.563   2.772   0.000  1.00  0.00           C  
HETATM   51  N   UNL     1       8.011   3.385   0.000  1.00  0.00           N  
HETATM   52  C   UNL     1       7.257   3.050   0.000  1.00  0.00           C  
HETATM   53  C   UNL     1       7.343   2.229   0.000  1.00  0.00           C  
HETATM   54  C   UNL     1       6.503   3.385   0.000  1.00  0.00           C  
HETATM   55  C   UNL     1       5.836   2.901   0.000  1.00  0.00           C  
HETATM   56  C   UNL     1       5.922   2.080   0.000  1.00  0.00           C  
HETATM   57  C   UNL     1       6.676   1.744   0.000  1.00  0.00           C  
HETATM   58  O   UNL     1      -8.865   0.518   0.000  1.00  0.00           O  
HETATM   59  C   UNL     1      -9.579   0.106   0.000  1.00  0.00           C  
HETATM   60  O   UNL     1      -9.579  -0.719   0.000  1.00  0.00           O  
HETATM   61  N   UNL     1     -10.294   0.518   0.000  1.00  0.00           N  
HETATM   62  C   UNL     1     -10.294   1.343   0.000  1.00  0.00           C  
HETATM   63  C   UNL     1     -11.008   0.106   0.000  1.00  0.00           C  
HETATM   64  C   UNL     1      -6.007  -1.956   0.000  1.00  0.00           C  
HETATM   65  O   UNL     1      -4.578   0.518   0.000  1.00  0.00           O  
HETATM   66  O   UNL     1      -2.545  -1.956   0.000  1.00  0.00           O  
HETATM   67  O   UNL     1      -1.934  -2.753   0.000  1.00  0.00           O  
HETATM   68  O   UNL     1       4.055  -0.528   0.000  1.00  0.00           O  
HETATM   69  C   UNL     1       9.388   2.772   0.000  1.00  0.00           C  
HETATM   70  F   UNL     1       9.971   3.356   0.000  1.00  0.00           F  
HETATM   71  F   UNL     1      10.102   2.360   0.000  1.00  0.00           F  
CONECT    1    2    6   58                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   64                                            
CONECT    8    7    9   11                                            
CONECT    9    8   10   65                                            
CONECT   10    9    5                                                 
CONECT   11    8   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15   18                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18   14   19   20                                            
CONECT   19   18   21   66   67                                       
CONECT   20   18                                                      
CONECT   21   19   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   68                                            
CONECT   31   30   32   36                                            
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35   37                                            
CONECT   35   34   36                                                 
CONECT   36   35   31                                                 
CONECT   37   34   38   42                                            
CONECT   38   37   39                                                 
CONECT   39   38   40   43                                            
CONECT   40   39   41                                                 
CONECT   41   40   42   49                                            
CONECT   42   41   37                                                 
CONECT   43   39   44   48                                            
CONECT   44   43   45                                                 
CONECT   45   44   46                                                 
CONECT   46   45   47                                                 
CONECT   47   46   48                                                 
CONECT   48   47   43                                                 
CONECT   49   41   50   53                                            
CONECT   50   49   51   69                                            
CONECT   51   50   52                                                 
CONECT   52   51   53   54                                            
CONECT   53   52   49   57                                            
CONECT   54   52   55                                                 
CONECT   55   54   56                                                 
CONECT   56   55   57                                                 
CONECT   57   56   53                                                 
CONECT   58    1   59                                                 
CONECT   59   58   60   61                                            
CONECT   60   59                                                      
CONECT   61   59   62   63                                            
CONECT   62   61                                                      
CONECT   63   61                                                      
CONECT   64    7                                                      
CONECT   65    9                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   30                                                      
CONECT   69   50   70   71                                            
CONECT   70   69                                                      
CONECT   71   69                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
M  END

$$$$
D0UU7G
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -6.261   1.216   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.547   1.628   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.832   1.216   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.118   1.628   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.403   1.216   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.689   1.628   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.974   1.216   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.260   1.628   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.506   1.293   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.046   1.906   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.367   2.620   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.174   2.449   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.118   2.453   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.689   2.453   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.974   2.866   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.689   3.278   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.403   2.866   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.974   0.391   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.832   0.391   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.293   0.496   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.007   0.083   0.000  1.00  0.00           O  
HETATM   22  N   UNL     1       0.469   0.180   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       0.683  -0.617   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.100  -1.200   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       0.313  -1.997   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.110  -2.211   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       1.693  -1.627   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       1.480  -0.830   0.000  1.00  0.00           C  
HETATM   29  N   UNL     1       1.324  -3.007   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       2.120  -3.221   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       2.704  -2.638   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1       2.490  -1.841   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1      -0.697  -0.987   0.000  1.00  0.00           O  
HETATM   34  C   UNL     1      -1.281  -1.570   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1       3.074  -1.257   0.000  1.00  0.00           N  
HETATM   36  C   UNL     1       3.871  -1.471   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.084  -2.268   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       4.881  -2.481   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       5.464  -1.898   0.000  1.00  0.00           C  
HETATM   40  C   UNL     1       5.251  -1.101   0.000  1.00  0.00           C  
HETATM   41  C   UNL     1       4.454  -0.888   0.000  1.00  0.00           C  
HETATM   42  F   UNL     1       3.501  -2.851   0.000  1.00  0.00           F  
HETATM   43  F   UNL     1       6.261  -2.111   0.000  1.00  0.00           F  
HETATM   44 CL   UNL     1       5.095  -3.278   0.000  1.00  0.00          Cl  
CONECT    1    2                                                      
CONECT    2    1    3                                                 
CONECT    3    2    4   19                                            
CONECT    4    3    5   13                                            
CONECT    5    4    6                                                 
CONECT    6    5    7   14                                            
CONECT    7    6    8   18                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10   20                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    8                                                 
CONECT   13    4                                                      
CONECT   14    6   15   16   17                                       
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17   14                                                      
CONECT   18    7                                                      
CONECT   19    3                                                      
CONECT   20    9   21   22                                            
CONECT   21   20                                                      
CONECT   22   20   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25   33                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   29                                            
CONECT   27   26   28   32                                            
CONECT   28   27   23                                                 
CONECT   29   26   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   27   35                                            
CONECT   33   24   34                                                 
CONECT   34   33                                                      
CONECT   35   32   36                                                 
CONECT   36   35   37   41                                            
CONECT   37   36   38   42                                            
CONECT   38   37   39   44                                            
CONECT   39   38   40   43                                            
CONECT   40   39   41                                                 
CONECT   41   40   36                                                 
CONECT   42   37                                                      
CONECT   43   39                                                      
CONECT   44   38                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
M  END

$$$$
D0UV3I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.640   1.052   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.196   0.443   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.947  -0.343   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.141  -0.520   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.415   0.089   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.166   0.875   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.022   0.449   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.282  -0.334   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.618  -0.823   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.569   1.066   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.377   0.900   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.638   0.118   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.090  -0.499   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.722   1.484   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.221  -0.089   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.470  -0.875   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.276  -1.052   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.832  -0.443   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.583   0.343   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.777   0.520   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1       0.914  -1.484   0.000  1.00  0.00           F  
HETATM   22  F   UNL     1       3.139   0.952   0.000  1.00  0.00           F  
HETATM   23  F   UNL     1       3.638  -0.621   0.000  1.00  0.00           F  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   15                                            
CONECT    6    5    1   14                                            
CONECT    7    2    8   10                                            
CONECT    8    7    9   13                                            
CONECT    9    8    3                                                 
CONECT   10    7   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14    6                                                      
CONECT   15    5   16   20                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20   22                                            
CONECT   20   19   15                                                 
CONECT   21   16                                                      
CONECT   22   19                                                      
CONECT   23   18                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0UW5J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.710  -0.480   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.710  -1.305   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.996  -1.718   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.282  -1.305   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.282  -0.480   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.996  -0.068   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.425  -0.068   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.996   0.757   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.282   1.170   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.282   1.995   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.433  -1.718   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1       0.519  -2.538   0.000  1.00  0.00           O  
HETATM   13  C   UNL     1       1.326  -2.709   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.739  -1.995   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       1.187  -1.382   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       2.448  -1.408   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.250  -1.796   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.490  -2.584   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.250  -2.194   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.837   0.647   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.250  -0.068   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.131   2.709   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.694   2.709   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5   11                                            
CONECT    5    4    6                                                 
CONECT    6    5    1    8                                            
CONECT    7    1   20   21                                            
CONECT    8    6    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   22   23                                            
CONECT   11    4   12   15                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   16   18                                       
CONECT   15   14   11                                                 
CONECT   16   14   17                                                 
CONECT   17   16                                                      
CONECT   18   14   19                                                 
CONECT   19   18                                                      
CONECT   20    7   21                                                 
CONECT   21   20    7                                                 
CONECT   22   10   23                                                 
CONECT   23   22   10                                                 
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0UW6S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.511   1.376   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.511   0.551   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.796   0.139   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.082   0.551   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.082   1.376   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.796   1.789   0.000  1.00  0.00           C  
HETATM    7 CL   UNL     1      -4.225   1.789   0.000  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -1.367   0.139   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.367  -0.686   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.653   0.551   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.082  -1.099   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.082  -1.924   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.367  -2.336   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.653  -1.924   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.653  -1.099   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.062   0.139   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.776   0.551   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.776   1.376   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       0.062   1.789   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.653   1.376   0.000  1.00  0.00           C  
HETATM   21 CL   UNL     1      -1.367  -3.161   0.000  1.00  0.00          Cl  
HETATM   22  C   UNL     1       1.491   1.789   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       1.491   2.614   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       2.205   1.376   0.000  1.00  0.00           O  
HETATM   25  N   UNL     1       2.920   1.789   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       3.673   1.453   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.225   2.066   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.813   2.781   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.006   2.609   0.000  1.00  0.00           C  
HETATM   30  O   UNL     1       2.393   3.161   0.000  1.00  0.00           O  
HETATM   31  O   UNL     1       3.845   0.646   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    8                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1                                                      
CONECT    8    4    9   10                                            
CONECT    9    8   11   15                                            
CONECT   10    8   16   20                                            
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   21                                            
CONECT   14   13   15                                                 
CONECT   15   14    9                                                 
CONECT   16   10   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   22                                            
CONECT   19   18   20                                                 
CONECT   20   19   10                                                 
CONECT   21   13                                                      
CONECT   22   18   23   24                                            
CONECT   23   22                                                      
CONECT   24   22   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27   31                                            
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   25   30                                            
CONECT   30   29                                                      
CONECT   31   26                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0UW8Q
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.321   0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.321   0.000   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.607  -0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.892   0.000   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.892   0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.607   1.238   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.035  -0.412   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.178   1.238   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       0.537   0.825   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       0.537   0.000   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.178  -0.412   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1       1.251  -0.412   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.251   1.238   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.966   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.680   1.238   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.680   2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.966   2.475   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.251   2.062   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.395   0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       4.109   1.238   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.750   0.000   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.464  -0.412   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.464  -1.238   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.750  -1.650   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.035  -1.238   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.179  -1.650   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1      -5.179  -2.475   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.893  -1.238   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.966   0.000   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.251  -1.238   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.966  -0.825   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       4.464   0.619   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       3.750   0.206   0.000  1.00  0.00           O  
HETATM   34  O   UNL     1       5.179   0.206   0.000  1.00  0.00           O  
HETATM   35  C   UNL     1       5.893   0.619   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    8                                            
CONECT    6    5    1                                                 
CONECT    7    2   21   25                                            
CONECT    8    5    9                                                 
CONECT    9    8   10   13                                            
CONECT   10    9   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   29   30   31                                       
CONECT   13    9   14   18                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   13                                                 
CONECT   19   15   20                                                 
CONECT   20   19   32                                                 
CONECT   21    7   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   26                                            
CONECT   24   23   25                                                 
CONECT   25   24    7                                                 
CONECT   26   23   27   28                                            
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   12                                                      
CONECT   30   12                                                      
CONECT   31   12                                                      
CONECT   32   20   33   34                                            
CONECT   33   32                                                      
CONECT   34   32   35                                                 
CONECT   35   34                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0UX1S
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.143   0.206   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.143  -0.619   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.429  -1.031   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.715  -0.619   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.429   0.619   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.000   0.619   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.715   0.206   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.429   0.619   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1       1.429   1.444   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.715   1.856   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.000   1.444   0.000  1.00  0.00           N  
HETATM   13  H   UNL     1       0.000  -1.031   0.000  1.00  0.00           H  
HETATM   14 CL   UNL     1      -1.429  -1.856   0.000  1.00  0.00          Cl  
HETATM   15  C   UNL     1      -2.858   0.619   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.572   1.031   0.000  1.00  0.00           N  
HETATM   17  C   UNL     1       2.143   0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.143  -0.619   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.858  -1.031   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       3.572  -0.619   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1       3.572   0.206   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.858   0.619   0.000  1.00  0.00           C  
HETATM   23  F   UNL     1       2.858   1.444   0.000  1.00  0.00           F  
CONECT    1    2    6   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   14                                            
CONECT    4    3    5   13                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   17                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    4                                                      
CONECT   14    3                                                      
CONECT   15    1   16                                                 
CONECT   16   15                                                      
CONECT   17    9   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17   23                                            
CONECT   23   22                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
M  END

$$$$
D0UX4J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.993   0.291   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.993  -0.533   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.279  -0.946   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.565  -0.533   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.565   0.291   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.279   0.704   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.150   0.704   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.864   0.291   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       1.078  -0.505   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.902  -0.548   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       2.197   0.222   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       1.556   0.741   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       1.599   1.565   0.000  1.00  0.00           O  
HETATM   14  S   UNL     1       2.351  -1.240   0.000  1.00  0.00           S  
HETATM   15  O   UNL     1      -2.351   0.910   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.637   0.498   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.636  -1.152   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.922  -1.565   0.000  1.00  0.00           C  
CONECT    1    2    6   15                                            
CONECT    2    1    3                                                 
CONECT    3    2    4   17                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11    8   13                                            
CONECT   13   12                                                      
CONECT   14   10                                                      
CONECT   15    1   16                                                 
CONECT   16   15                                                      
CONECT   17    3   18                                                 
CONECT   18   17                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
M  END

$$$$
D0UX5I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.765  -0.825   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.765  -1.650   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.051  -2.062   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.336  -1.650   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.336  -0.825   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.051  -0.412   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.550  -0.570   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.035  -1.238   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.550  -1.905   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.805   0.215   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.612   0.386   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -5.164  -0.227   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -5.971  -0.056   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.523  -0.669   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -6.226   0.729   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1      -0.622  -0.412   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       0.093  -0.825   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.807  -0.412   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       0.093  -1.650   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1       1.522  -0.825   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.236  -0.412   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.950  -0.825   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       3.665  -0.412   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.379  -0.825   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       5.094  -0.412   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       5.094   0.412   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       4.379   0.825   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.665   0.412   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       4.379  -1.650   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.094  -2.062   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       5.808  -1.650   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       5.808  -0.825   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       4.379   1.650   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.665   2.062   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.950   1.650   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.950   0.825   0.000  1.00  0.00           C  
HETATM   37 CL   UNL     1       6.523  -2.062   0.000  1.00  0.00          Cl  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6   16                                            
CONECT    6    5    1                                                 
CONECT    7    1    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    7   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16    5   17                                                 
CONECT   17   16   18   19                                            
CONECT   18   17   20                                                 
CONECT   19   17                                                      
CONECT   20   18   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   24   28                                            
CONECT   24   23   25   29                                            
CONECT   25   24   26   32                                            
CONECT   26   25   27                                                 
CONECT   27   26   28   33                                            
CONECT   28   27   23   36                                            
CONECT   29   24   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   32   37                                            
CONECT   32   31   25                                                 
CONECT   33   27   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   28                                                 
CONECT   37   31                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
M  END

$$$$
D0UY1A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.495   0.235   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.292   0.021   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.506  -0.776   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.922  -1.359   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.125  -1.146   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.912  -0.349   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.241  -1.150   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.112  -1.965   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.297  -2.094   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.976  -0.776   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.434  -1.595   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.792  -1.076   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.088  -0.306   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.639   0.386   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.815   0.343   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.440  -0.392   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.384  -0.435   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1       0.833   0.257   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       0.458   0.992   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.366   1.035   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       1.657   0.214   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.106   0.905   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.930   0.862   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       1.732   1.641   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       3.304   0.127   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.128   0.084   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.578   0.776   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.203   1.511   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.379   1.554   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       5.393   0.905   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       5.522   1.720   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       4.786   2.094   0.000  1.00  0.00           C  
HETATM   33  O   UNL     1       5.976   0.322   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5    9                                            
CONECT    5    4    6   11                                            
CONECT    6    5    1   13                                            
CONECT    7    3    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    4                                                 
CONECT   10    7                                                      
CONECT   11    5   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    6   14                                            
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   25   29                                            
CONECT   24   22                                                      
CONECT   25   23   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28   30                                            
CONECT   28   27   29   32                                            
CONECT   29   28   23                                                 
CONECT   30   27   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   28                                                 
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0UY3J
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.250  -2.396   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.250  -3.221   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.536  -3.634   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.821  -3.221   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.821  -2.396   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.536  -1.984   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.536  -1.159   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.965  -3.634   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.821  -0.746   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.821   0.079   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.107   0.491   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.107   1.316   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.821   1.729   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.536   1.316   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.536   0.491   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.322   0.236   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.163   0.904   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.322   1.571   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.322   2.396   0.000  1.00  0.00           C  
HETATM   20  H   UNL     1      -1.107  -0.334   0.000  1.00  0.00           H  
HETATM   21  C   UNL     1      -1.037   2.809   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.392   2.809   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.107   2.396   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.821   2.809   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.021   2.137   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.536   2.396   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.250   2.809   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       3.250   3.634   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.965   2.396   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.965   3.221   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       2.536   1.571   0.000  1.00  0.00           N  
HETATM   32  O   UNL     1       3.250   1.159   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       3.250   0.334   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.536  -0.079   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.536  -0.904   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    9                                                 
CONECT    8    2                                                      
CONECT    9    7   10                                                 
CONECT   10    9   11   15                                            
CONECT   11   10   12   16   20                                       
CONECT   12   11   13   18   25                                       
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   11   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   12   19                                            
CONECT   19   18   21   22                                            
CONECT   20   11                                                      
CONECT   21   19                                                      
CONECT   22   19   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   26                                                 
CONECT   25   12                                                      
CONECT   26   24   27   31                                            
CONECT   27   26   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
CONECT   31   26   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0UY7A
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.455  -0.154   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.455  -0.979   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.169  -1.392   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.884  -0.979   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.884  -0.154   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.169   0.258   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.598  -1.392   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       3.312  -0.979   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       4.027  -1.392   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1       4.742  -0.979   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1       5.456  -1.392   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.598  -2.217   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.260   0.258   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.974  -0.154   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.689   0.258   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.974  -0.979   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.775   1.079   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.582   1.250   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.994   0.536   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.442  -0.077   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.815   0.450   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.300   1.117   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.120   1.031   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.456   0.277   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.971  -0.390   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.151  -0.304   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.163   1.633   0.000  1.00  0.00           C  
HETATM   28  F   UNL     1      -1.746   2.217   0.000  1.00  0.00           F  
HETATM   29  F   UNL     1      -0.579   2.217   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1      -0.579   1.050   0.000  1.00  0.00           F  
CONECT    1    2    6   13                                            
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10                                                      
CONECT   12    7                                                      
CONECT   13    1   14                                                 
CONECT   14   13   15   16                                            
CONECT   15   14   17   20                                            
CONECT   16   14                                                      
CONECT   17   15   18   27                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19   15                                                 
CONECT   21   19   22   26                                            
CONECT   22   21   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   21                                                 
CONECT   27   17   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0UY8K
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -2.125  -0.206   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.125  -1.031   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.411  -1.444   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.696  -1.031   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.696  -0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.411   0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.018  -1.444   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.733  -1.031   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.733  -0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.018   0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.447   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.162  -0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.876   0.206   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.876   1.031   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.162   1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.447   1.031   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       3.661  -0.049   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       4.146   0.619   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       3.661   1.286   0.000  1.00  0.00           O  
HETATM   20  N   UNL     1      -1.411   1.031   0.000  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.125   1.444   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.840   1.031   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.594   1.367   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -4.146   0.754   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.733   0.039   0.000  1.00  0.00           C  
HETATM   26  S   UNL     1      -2.926   0.211   0.000  1.00  0.00           S  
HETATM   27  C   UNL     1      -4.069  -0.714   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1   20                                            
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5                                                 
CONECT   11    9   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14   17                                            
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   13   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20    6   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26   27                                            
CONECT   26   25   22                                                 
CONECT   27   25                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0UY9Y
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  S   UNL     1      -1.659   1.699   0.000  1.00  0.00           S  
HETATM    2  C   UNL     1      -2.373   1.286   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.202   0.479   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.381   0.393   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.046   1.147   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.239   1.318   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.969  -0.322   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.182  -1.119   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.979  -1.332   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.599  -1.702   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       0.198  -1.488   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.781  -2.072   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.578  -1.858   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.792  -1.061   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.208  -0.478   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.412  -0.692   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       0.374   0.766   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       1.089   1.179   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.917   1.986   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1       0.097   2.072   0.000  1.00  0.00           O  
HETATM   21  O   UNL     1       2.373  -1.429   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       1.790  -0.845   0.000  1.00  0.00           C  
CONECT    1    2    5                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    1    6                                            
CONECT    6    5   17   20                                            
CONECT    7    4    8                                                 
CONECT    8    7    9   10                                            
CONECT    9    8                                                      
CONECT   10    8   11                                                 
CONECT   11   10   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   21                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17    6   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19    6                                                 
CONECT   21   14   22                                                 
CONECT   22   21                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0UZ6C
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.434  -1.199   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.189  -0.411   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.761  -1.675   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.099  -1.182   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.364  -0.401   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.496  -2.457   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       0.329  -2.447   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.574  -1.659   0.000  1.00  0.00           C  
HETATM    9  S   UNL     1      -1.862   0.066   0.000  1.00  0.00           S  
HETATM   10  C   UNL     1      -2.524  -0.427   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.259  -1.209   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.049   0.314   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.874   0.314   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.286   1.028   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.111   1.028   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.524   1.742   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.111   2.457   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.286   2.457   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.874   1.742   0.000  1.00  0.00           C  
HETATM   20  F   UNL     1       0.461   1.028   0.000  1.00  0.00           F  
CONECT    1    2    3   11                                            
CONECT    2    1    5    9                                            
CONECT    3    1    4    6                                            
CONECT    4    3    5    8                                            
CONECT    5    4    2   12                                            
CONECT    6    3    7                                                 
CONECT    7    6    8                                                 
CONECT    8    7    4                                                 
CONECT    9    2   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    1                                                 
CONECT   12    5   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   19   20                                       
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   14                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
M  END

$$$$
D0UZ7I
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.715  -0.206   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.000   0.206   0.000  1.00  0.00           C  
HETATM    3  O   UNL     1       0.000   1.031   0.000  1.00  0.00           O  
HETATM    4  N   UNL     1       0.715  -0.206   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       1.429   0.206   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       2.143  -0.206   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.143  -1.031   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.858  -1.444   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.572  -1.031   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       3.572  -0.206   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.858   0.206   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.429   0.206   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.429   1.031   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.143   1.444   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.858   1.031   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.858   0.206   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.143  -0.206   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.572  -0.206   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.572  -1.031   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.858  -1.444   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.143  -1.031   0.000  1.00  0.00           C  
CONECT    1    2   12                                                 
CONECT    2    1    3    4                                            
CONECT    3    2                                                      
CONECT    4    2    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    7   11                                            
CONECT    7    6    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10    6                                                 
CONECT   12    1   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   18                                            
CONECT   17   16   12   21                                            
CONECT   18   16   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   17                                                 
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0V0BC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.587   2.278   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.217   2.107   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.629   2.819   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.079   3.430   0.000  1.00  0.00           N  
HETATM    5  N   UNL     1      -0.673   3.095   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.385   3.506   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.561   1.400   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.552   1.356   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.154  -0.866   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.866  -1.277   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       3.578  -0.866   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       3.578  -0.044   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.866   0.367   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.154  -0.044   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.355   1.613   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.936   1.032   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.724   0.238   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.929   0.025   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.348   0.606   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.198   1.728   0.000  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.980   1.982   0.000  1.00  0.00           O  
HETATM   22  O   UNL     1       0.141   0.644   0.000  1.00  0.00           O  
HETATM   23  N   UNL     1       0.691   0.033   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       1.442   0.367   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       1.356   1.185   0.000  1.00  0.00           N  
HETATM   26  C   UNL     1       2.866  -2.102   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       3.580  -2.514   0.000  1.00  0.00           N  
HETATM   28  N   UNL     1       3.667  -3.335   0.000  1.00  0.00           N  
HETATM   29  N   UNL     1       4.474  -3.506   0.000  1.00  0.00           N  
HETATM   30  C   UNL     1       4.886  -2.792   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1       4.334  -2.179   0.000  1.00  0.00           N  
HETATM   32  C   UNL     1      -4.305  -0.344   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1      -4.886   0.238   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -4.886  -0.925   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -3.724  -0.925   0.000  1.00  0.00           F  
CONECT    1    2    5   20                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    1    6                                            
CONECT    6    5                                                      
CONECT    7   15   19   21                                            
CONECT    8    2   22   25                                            
CONECT    9   10   14                                                 
CONECT   10    9   11   26                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9   24                                            
CONECT   15    7   16                                                 
CONECT   16   15   17                                                 
CONECT   17   32   16   18                                            
CONECT   18   17   19                                                 
CONECT   19   18    7                                                 
CONECT   20   21    1                                                 
CONECT   21   20    7                                                 
CONECT   22    8   23                                                 
CONECT   23   22   24                                                 
CONECT   24   23   25   14                                            
CONECT   25   24    8                                                 
CONECT   26   10   27                                                 
CONECT   27   26   28   31                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31                                                 
CONECT   31   30   27                                                 
CONECT   32   33   34   35   17                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0V0KI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -3.247   0.338   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.818  -0.487   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.818   0.338   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.532   0.751   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.033  -0.741   0.000  1.00  0.00           N  
HETATM    6  N   UNL     1      -0.548  -0.074   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.033   0.593   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.778   1.378   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       0.029   1.550   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.581   0.936   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.388   1.108   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.643   1.893   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.091   2.506   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.284   2.334   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.532   1.576   0.000  1.00  0.00           O  
HETATM   16  S   UNL     1       2.450   2.064   0.000  1.00  0.00           S  
HETATM   17  O   UNL     1       2.663   1.267   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       3.247   2.278   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.778  -1.526   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.263  -2.194   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.778  -2.861   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.006  -2.606   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.006  -1.781   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.721  -1.369   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       1.435  -0.956   0.000  1.00  0.00           N  
HETATM   26  O   UNL     1       2.236   2.861   0.000  1.00  0.00           O  
CONECT    1    4                                                      
CONECT    2    3    5                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    1   15                                            
CONECT    5    2    6   19                                            
CONECT    6    5    7                                                 
CONECT    7    6    3    8                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13   16                                            
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    4                                                      
CONECT   16   12   17   18   26                                       
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19   20   23    5                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   19   24                                            
CONECT   24   23   25                                                 
CONECT   25   24                                                      
CONECT   26   16                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0V0OD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.845   1.007   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.845   0.182   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.131  -0.230   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.416   0.182   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.416   1.007   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.131   1.420   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.630   1.262   0.000  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.115   0.595   0.000  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.630  -0.072   0.000  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.885   2.047   0.000  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.131  -1.055   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.702  -0.230   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.987   0.182   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.273  -0.230   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.273  -1.055   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.442  -1.468   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.156  -1.055   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.156  -0.230   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.442   0.182   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.242  -1.876   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.049  -2.047   0.000  1.00  0.00           C  
HETATM   22  N   UNL     1       2.462  -1.333   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       1.910  -0.719   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1       2.081   0.088   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1       3.282  -1.246   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.834  -1.859   0.000  1.00  0.00           C  
HETATM   27  O   UNL     1       4.588  -1.524   0.000  1.00  0.00           O  
HETATM   28  C   UNL     1       4.502  -0.703   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       3.695  -0.532   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       3.359   0.222   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       5.115  -0.151   0.000  1.00  0.00           O  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   11                                            
CONECT    4    3    5   12                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    1    8   10                                            
CONECT    8    7    9                                                 
CONECT    9    8    2                                                 
CONECT   10    7                                                      
CONECT   11    3                                                      
CONECT   12    4   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20   23                                       
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   17   24                                            
CONECT   24   23                                                      
CONECT   25   22   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   25   30                                            
CONECT   30   29                                                      
CONECT   31   28                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
M  END

$$$$
D0V0UW
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -0.715   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.715  -0.412   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.000  -0.825   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.715  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.715   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.000   0.825   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.429  -0.825   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.429   1.650   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.143   2.062   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.858   1.650   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.858   0.825   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.143  -0.412   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.858  -0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.858  -1.650   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.143  -2.062   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.429  -1.650   0.000  1.00  0.00           C  
HETATM   19 CL   UNL     1      -3.572   2.062   0.000  1.00  0.00          Cl  
HETATM   20 CL   UNL     1      -0.715  -2.062   0.000  1.00  0.00          Cl  
HETATM   21  H   UNL     1      -3.572  -2.062   0.000  1.00  0.00           H  
HETATM   22  N   UNL     1       1.429  -0.825   0.000  1.00  0.00           N  
HETATM   23  C   UNL     1       2.143  -0.412   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1       2.143   0.412   0.000  1.00  0.00           N  
HETATM   25  C   UNL     1       1.429   0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.756   0.965   0.000  1.00  0.00           C  
HETATM   27  N   UNL     1       2.421   1.718   0.000  1.00  0.00           N  
HETATM   28  N   UNL     1       1.601   1.632   0.000  1.00  0.00           N  
HETATM   29  O   UNL     1       3.563   0.793   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1       2.858  -0.825   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       2.858  -1.650   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       3.572  -0.412   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.572  -1.238   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    8                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   22                                            
CONECT    5    4    6   25                                            
CONECT    6    5    1                                                 
CONECT    7    9   13    1                                            
CONECT    8    2   14   18                                            
CONECT    9    7   10                                                 
CONECT   10    9   11                                                 
CONECT   11   10   12   19                                            
CONECT   12   11   13                                                 
CONECT   13   12    7                                                 
CONECT   14    8   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17    8   20                                            
CONECT   19   11                                                      
CONECT   20   18                                                      
CONECT   21   16                                                      
CONECT   22    4   23                                                 
CONECT   23   22   24   30                                            
CONECT   24   23   25   26                                            
CONECT   25   24    5   28                                            
CONECT   26   24   27   29                                            
CONECT   27   26   28                                                 
CONECT   28   27   25                                                 
CONECT   29   26                                                      
CONECT   30   23   31   32   33                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

$$$$
D0V0WT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.561   1.238   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.561   0.412   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       1.276   0.000   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       1.990   0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.990   1.238   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.276   1.650   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.705   1.650   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       3.419   1.238   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1       2.705   2.475   0.000  1.00  0.00           O  
HETATM   10  N   UNL     1       2.705   0.000   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       2.705  -0.825   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.153   0.000   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       1.990  -1.238   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.990  -2.062   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.705  -2.475   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.419  -2.062   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.419  -1.238   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.276   0.412   0.000  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.276   1.238   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.990   1.650   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.705   1.238   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.705   0.412   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.990   0.000   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.419   0.000   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   12                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   10                                            
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    4   11                                                 
CONECT   11   10   13   17                                            
CONECT   12    2   18                                                 
CONECT   13   11   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   11                                                 
CONECT   18   12   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22   18                                                 
CONECT   24   22                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0V1CB
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.516   0.412   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.516  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.802  -0.825   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.087  -0.412   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.087   0.412   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.802   0.825   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.802   1.650   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.087   2.062   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.373   1.650   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.658   2.062   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.658   2.887   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.373   3.300   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.087   2.887   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.056   1.650   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1       0.142   0.830   0.000  1.00  0.00           N  
HETATM   16  C   UNL     1       0.949   0.658   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1       1.362   1.373   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1       0.810   1.986   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.410   0.216   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.155  -0.568   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.652  -0.740   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       1.204  -0.127   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.802  -1.650   0.000  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.087  -2.062   0.000  1.00  0.00           N  
HETATM   25  O   UNL     1      -3.516  -2.062   0.000  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.087  -2.887   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.373  -3.300   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.658  -2.887   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.658  -2.062   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.373  -1.650   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       0.056  -3.300   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       2.011  -0.298   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.563   0.315   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.350   1.112   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       2.933   1.695   0.000  1.00  0.00           C  
HETATM   36  S   UNL     1       2.720   2.492   0.000  1.00  0.00           S  
HETATM   37  C   UNL     1       3.516   2.705   0.000  1.00  0.00           C  
HETATM   38  O   UNL     1       2.506   3.289   0.000  1.00  0.00           O  
HETATM   39  O   UNL     1       1.923   2.279   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4   23                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1    7                                            
CONECT    7    6    8                                                 
CONECT    8    7    9   13                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10   15   18                                            
CONECT   15   14   16   19                                            
CONECT   16   15   17   22                                            
CONECT   17   16   18                                                 
CONECT   18   17   14                                                 
CONECT   19   15   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   16   32                                            
CONECT   23    3   24   25                                            
CONECT   24   23   26   30                                            
CONECT   25   23                                                      
CONECT   26   24   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29   31                                            
CONECT   29   28   30                                                 
CONECT   30   29   24                                                 
CONECT   31   28                                                      
CONECT   32   22   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37   38   39                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   36                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0V1PW
  -OEChem-09301911272D

 51 54  0     1  0  0  0  0  0999 V2000
    4.3554    1.9097    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0997   -4.5256    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0410   -1.2063    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.6750    0.1597    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6750   -1.5723    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    2.3164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4419    1.5029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7622    0.9961    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.7109   -0.7063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    3.6892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.0256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4429   -0.7063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9313   -0.6131    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8448   -0.2063    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2622    0.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7403    0.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7234   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9487    2.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7723   -1.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4665   -2.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5769   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5644   -2.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2586   -3.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9705    3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5769    0.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3076   -3.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7796    4.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3090   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4429    1.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3090    0.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1750   -0.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4131   -1.0032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3648    0.1314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7606    0.4945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8473   -0.3307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3603    0.7882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8051    1.4048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7109   -1.3263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3116   -1.4854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0562   -2.0687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9748   -3.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7194   -3.6533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5098    2.6163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0400    1.1037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9085    5.0388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4429    1.9137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    5.0626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    4.8356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    3.9887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8459    1.1037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  1  8  1  0  0  0  0
  1 18  1  0  0  0  0
  2 26  1  0  0  0  0
  3 32  1  0  0  0  0
  4 32  1  0  0  0  0
  5 32  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
 14  9  1  6  0  0  0
  9 21  1  0  0  0  0
  9 39  1  0  0  0  0
 10 18  1  0  0  0  0
 10 27  2  0  0  0  0
 11 24  1  0  0  0  0
 11 27  1  0  0  0  0
 11 30  1  0  0  0  0
 12 21  1  0  0  0  0
 12 28  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  1  1  0  0  0
 13 33  1  0  0  0  0
 14 16  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 24  2  0  0  0  0
 19 22  1  0  0  0  0
 19 40  1  0  0  0  0
 20 23  2  0  0  0  0
 20 41  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  2  0  0  0  0
 22 42  1  0  0  0  0
 23 26  1  0  0  0  0
 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 29  1  0  0  0  0
 25 45  1  0  0  0  0
 27 46  1  0  0  0  0
 28 31  1  0  0  0  0
 28 32  1  0  0  0  0
 29 31  2  0  0  0  0
 29 47  1  0  0  0  0
 30 48  1  0  0  0  0
 30 49  1  0  0  0  0
 30 50  1  0  0  0  0
 31 51  1  0  0  0  0
M  END

$$$$
D0V1VT
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.260   0.000   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.974  -0.412   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.688   0.000   0.000  1.00  0.00           C  
HETATM    4  O   UNL     1       0.974  -1.237   0.000  1.00  0.00           O  
HETATM    5  O   UNL     1       2.442  -0.336   0.000  1.00  0.00           O  
HETATM    6  C   UNL     1       2.994   0.278   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       2.581   0.992   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       1.775   0.820   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1       3.814   0.191   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       4.150  -0.562   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       4.970  -0.648   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       5.455   0.019   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       5.119   0.772   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       4.299   0.859   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.260   0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.455   1.237   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.169   0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.169   0.000   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.455  -0.412   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.883   1.237   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.597   0.825   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.597   0.000   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.883  -0.412   0.000  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.312   1.237   0.000  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.026   0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.740   1.237   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.455   0.825   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.455   0.000   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.740  -0.412   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.026   0.000   0.000  1.00  0.00           C  
CONECT    1    2   15   19                                            
CONECT    2    1    3    4                                            
CONECT    3    2    5    8                                            
CONECT    4    2                                                      
CONECT    5    3    6                                                 
CONECT    6    5    7    9                                            
CONECT    7    6    8                                                 
CONECT    8    7    3                                                 
CONECT    9    6   10   14                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    9                                                 
CONECT   15    1   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19   23                                            
CONECT   19   18    1                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26   30                                            
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   25                                                 
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0V1XY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1       0.141   0.235   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       0.141  -0.590   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.856  -1.002   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       1.570  -0.590   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       1.570   0.235   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.856   0.648   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.643   0.490   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.129  -0.177   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.643  -0.845   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.979   1.244   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.800   1.330   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.284   0.663   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.949  -0.091   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.396   1.827   0.000  1.00  0.00           O  
HETATM   15  O   UNL     1       0.856   1.473   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1       2.284   0.648   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.284   1.473   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1       2.284  -1.002   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1       0.856  -1.827   0.000  1.00  0.00           O  
HETATM   20  S   UNL     1       1.096   0.098   0.000  1.00  0.00           S  
HETATM   21  S   UNL     1       0.735  -0.555   0.000  1.00  0.00           S  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9   21                                       
CONECT    3    2    4   19                                            
CONECT    4    3    5   18                                            
CONECT    5    4    6   16   20                                       
CONECT    6    5    1   15                                            
CONECT    7    1    8   10                                            
CONECT    8    7    9   13                                            
CONECT    9    8    2                                                 
CONECT   10    7   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12    8                                                 
CONECT   14   10                                                      
CONECT   15    6                                                      
CONECT   16    5   17                                                 
CONECT   17   16                                                      
CONECT   18    4                                                      
CONECT   19    3                                                      
CONECT   20    5   21                                                 
CONECT   21   20    2                                                 
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0V2JR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.226  -0.494   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.226  -1.319   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.512  -1.732   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.203  -1.319   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.203  -0.494   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.512  -0.082   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.011  -0.239   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.496  -0.907   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.011  -1.574   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       0.848  -1.834   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.652  -1.650   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.010  -0.907   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.652  -0.164   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.848   0.020   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.480   0.811   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.340   0.725   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.321  -0.907   0.000  1.00  0.00           O  
HETATM   18  H   UNL     1      -1.312   0.326   0.000  1.00  0.00           H  
HETATM   19  H   UNL     1       0.203   0.331   0.000  1.00  0.00           H  
HETATM   20  H   UNL     1       0.203  -2.144   0.000  1.00  0.00           H  
HETATM   21  C   UNL     1      -0.512  -2.557   0.000  1.00  0.00           C  
HETATM   22  H   UNL     1      -1.312  -2.140   0.000  1.00  0.00           H  
HETATM   23  C   UNL     1       0.203  -2.969   0.000  1.00  0.00           C  
HETATM   24  H   UNL     1      -0.512  -0.907   0.000  1.00  0.00           H  
HETATM   25  C   UNL     1      -2.266   0.545   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       1.195   1.224   0.000  1.00  0.00           C  
HETATM   27  H   UNL     1       0.225   1.596   0.000  1.00  0.00           H  
HETATM   28  O   UNL     1       1.948   0.888   0.000  1.00  0.00           O  
HETATM   29  C   UNL     1       2.500   1.501   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.088   2.216   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       1.281   2.044   0.000  1.00  0.00           C  
HETATM   32  H   UNL     1       1.607   0.509   0.000  1.00  0.00           H  
HETATM   33  C   UNL     1       2.423   2.969   0.000  1.00  0.00           C  
HETATM   34  O   UNL     1       3.321   1.415   0.000  1.00  0.00           O  
CONECT    1    2    6    7   18                                       
CONECT    2    1    3    9   22                                       
CONECT    3    2    4   21                                            
CONECT    4    3    5   10   20                                       
CONECT    5    4    6   14   19                                       
CONECT    6    5    1   16   24                                       
CONECT    7    1    8   25                                            
CONECT    8    7    9   17                                            
CONECT    9    8    2                                                 
CONECT   10    4   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13    5   15                                            
CONECT   15   14   16   26   27                                       
CONECT   16   15    6                                                 
CONECT   17    8                                                      
CONECT   18    1                                                      
CONECT   19    5                                                      
CONECT   20    4                                                      
CONECT   21    3   23                                                 
CONECT   22    2                                                      
CONECT   23   21                                                      
CONECT   24    6                                                      
CONECT   25    7                                                      
CONECT   26   15   28   31   32                                       
CONECT   27   15                                                      
CONECT   28   26   29                                                 
CONECT   29   28   30   34                                            
CONECT   30   29   31   33                                            
CONECT   31   30   26                                                 
CONECT   32   26                                                      
CONECT   33   30                                                      
CONECT   34   29                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0V2NC
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.513   0.598   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.513  -0.227   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.798  -0.640   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.084  -0.227   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.084   0.598   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.798   1.010   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.369   1.010   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       0.345   0.598   0.000  1.00  0.00           N  
HETATM    9  O   UNL     1      -0.369   1.835   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1       1.060   1.010   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.774   0.598   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       2.488   1.010   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       2.488   1.835   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       1.774   2.248   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.060   1.835   0.000  1.00  0.00           C  
HETATM   16 CL   UNL     1       3.203   2.248   0.000  1.00  0.00          Cl  
HETATM   17 CL   UNL     1       3.203   0.598   0.000  1.00  0.00          Cl  
HETATM   18  N   UNL     1      -3.126  -0.779   0.000  1.00  0.00           N  
HETATM   19  N   UNL     1      -2.790  -1.533   0.000  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.970  -1.447   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.203  -2.248   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   18                                            
CONECT    3    2    4   20                                            
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   10                                                 
CONECT    9    7                                                      
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13                                                      
CONECT   17   12                                                      
CONECT   18    2   19                                                 
CONECT   19   18   20   21                                            
CONECT   20   19    3                                                 
CONECT   21   19                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
M  END

$$$$
D0V2UZ
  -OEChem-09301911142D

 63 64  0     0  0  0  0  0  0999 V2000
    7.1962    1.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -7.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    7.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -7.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -7.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    7.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    7.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -6.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -5.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -4.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -4.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -5.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -6.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -4.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -4.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    6.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -7.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -8.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -8.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -8.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -8.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -7.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722    7.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    8.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522    8.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401    8.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    8.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201    7.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    6.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    6.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    4.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    4.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  2  0  0  0  0
  2 14  2  0  0  0  0
  3 28  2  0  0  0  0
  4 10  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5 14  1  0  0  0  0
  5 22  1  0  0  0  0
  5 55  1  0  0  0  0
  6 27  1  0  0  0  0
  6 31  1  0  0  0  0
  6 62  1  0  0  0  0
  7 28  1  0  0  0  0
  7 31  1  0  0  0  0
  7 63  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 14  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 40  1  0  0  0  0
 13 19  2  0  0  0  0
 13 20  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 19 23  1  0  0  0  0
 19 53  1  0  0  0  0
 20 24  2  0  0  0  0
 20 54  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 21 28  1  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 56  1  0  0  0  0
 24 57  1  0  0  0  0
 25 29  1  0  0  0  0
 25 58  1  0  0  0  0
 26 30  2  0  0  0  0
 26 59  1  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 29 60  1  0  0  0  0
 30 61  1  0  0  0  0
M  END

$$$$
D0V2VM
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.787  -1.032   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.787  -0.207   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.073  -1.446   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.358  -1.032   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.358  -0.207   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.073   0.207   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.073   1.032   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.359   1.444   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.359   2.269   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.073   2.682   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.788   2.269   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.788   1.444   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1       0.357  -1.444   0.000  1.00  0.00           O  
HETATM   14  C   UNL     1       1.071  -1.032   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.786  -1.444   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.787  -2.269   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.501  -2.681   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       3.216  -2.269   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.216  -1.444   0.000  1.00  0.00           C  
HETATM   20  N   UNL     1       2.501  -1.032   0.000  1.00  0.00           N  
HETATM   21  F   UNL     1       1.072  -2.682   0.000  1.00  0.00           F  
HETATM   22  C   UNL     1       0.356   2.682   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.501   0.205   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.216  -0.207   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.216  -1.032   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.501  -1.445   0.000  1.00  0.00           C  
CONECT    1    2    3   26                                            
CONECT    2    1    6   23                                            
CONECT    3    1    4                                                 
CONECT    4    3    5   13                                            
CONECT    5    4    6                                                 
CONECT    6    5    2    7                                            
CONECT    7    6    8   12                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   22                                            
CONECT   10    9   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    7                                                 
CONECT   13    4   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16   20                                            
CONECT   16   15   17   21                                            
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21   16                                                      
CONECT   22    9                                                      
CONECT   23    2   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25    1                                                 
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
M  END

$$$$
D0V3KH
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.598  -0.376   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.773  -0.376   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.360   0.339   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.773   1.053   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.598   1.053   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.010   0.339   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.221  -0.989   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.467  -0.653   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.553   0.167   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.135  -1.809   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.328  -1.981   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.085  -1.266   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.161   0.580   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.906   0.224   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       1.586   0.691   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.330   0.336   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       3.010   0.803   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.946   1.625   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       2.202   1.981   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.521   1.514   0.000  1.00  0.00           C  
HETATM   21  F   UNL     1      -3.010   1.768   0.000  1.00  0.00           F  
HETATM   22  O   UNL     1       1.119  -0.573   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   21                                            
CONECT    6    5    1                                                 
CONECT    7    2    8   10                                            
CONECT    8    7    9   12                                            
CONECT    9    8    3   13                                            
CONECT   10    7   11                                                 
CONECT   11   10   12                                                 
CONECT   12   11    8                                                 
CONECT   13    9   14                                                 
CONECT   14   13   15   22                                            
CONECT   15   14   16   20                                            
CONECT   16   15   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   15                                                 
CONECT   21    5                                                      
CONECT   22   14                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
M  END

$$$$
D0V3MX
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       0.765  -1.609   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1       0.765  -2.434   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       1.480  -2.847   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       2.194  -2.434   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.194  -1.609   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       1.480  -1.197   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       2.909  -2.847   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       3.623  -2.434   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       3.623  -1.609   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.909  -1.197   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       4.236  -1.058   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       3.901  -0.304   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       3.080  -0.390   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       2.528   0.223   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.783   1.008   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.231   1.621   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.424   1.449   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.169   0.665   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.721   0.052   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.872   2.062   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       1.127   2.847   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       0.051  -1.197   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.051  -0.372   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.664   0.041   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.378  -0.372   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.378  -1.197   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.664  -1.609   0.000  1.00  0.00           C  
HETATM   28 CL   UNL     1       0.765   0.041   0.000  1.00  0.00          Cl  
HETATM   29  O   UNL     1      -2.093   0.041   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -2.807  -0.372   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.522   0.041   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.236  -0.372   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.236  -1.197   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.522  -1.609   0.000  1.00  0.00           C  
HETATM   35  N   UNL     1      -2.807  -1.197   0.000  1.00  0.00           N  
HETATM   36  F   UNL     1       0.051  -2.847   0.000  1.00  0.00           F  
CONECT    1    2    6   22                                            
CONECT    2    1    3   36                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   13                                            
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   10   14                                            
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21                                                 
CONECT   21   20                                                      
CONECT   22    1   23   27                                            
CONECT   23   22   24   28                                            
CONECT   24   23   25                                                 
CONECT   25   24   26   29                                            
CONECT   26   25   27                                                 
CONECT   27   26   22                                                 
CONECT   28   23                                                      
CONECT   29   25   30                                                 
CONECT   30   29   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
CONECT   36    2                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
M  END

$$$$
D0V3OD
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.644   1.650   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.644   0.825   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.930   0.412   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.215   0.825   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.215   1.650   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.930   2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.501   0.412   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.786   0.825   0.000  1.00  0.00           N  
HETATM    9  N   UNL     1      -1.786   1.650   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.501   2.062   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.072   2.062   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.357   1.650   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.357   2.062   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       1.072   1.650   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       1.072   0.825   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.786   0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.501   0.825   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.501   1.650   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.786   2.062   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.215   0.412   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       3.215  -0.412   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.930  -0.825   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       4.644  -0.412   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.644   0.412   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.930   0.825   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       3.930  -1.650   0.000  1.00  0.00           N  
HETATM   27  C   UNL     1       3.215  -2.062   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.501  -1.650   0.000  1.00  0.00           C  
HETATM   29  O   UNL     1       3.215  -2.888   0.000  1.00  0.00           O  
HETATM   30  C   UNL     1      -2.501  -0.412   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.215  -0.825   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.215  -1.650   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.501  -2.062   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.786  -1.650   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.786  -0.825   0.000  1.00  0.00           C  
HETATM   36  F   UNL     1      -2.501  -2.888   0.000  1.00  0.00           F  
HETATM   37  F   UNL     1      -3.930  -2.062   0.000  1.00  0.00           F  
HETATM   38  O   UNL     1      -2.501   2.888   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6   10                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   30                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   38                                            
CONECT   11    9   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21   25                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   26                                            
CONECT   23   22   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   20                                                 
CONECT   26   22   27                                                 
CONECT   27   26   28   29                                            
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30    7   31   35                                            
CONECT   31   30   32                                                 
CONECT   32   31   33   37                                            
CONECT   33   32   34   36                                            
CONECT   34   33   35                                                 
CONECT   35   34   30                                                 
CONECT   36   33                                                      
CONECT   37   32                                                      
CONECT   38   10                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
M  END

$$$$
D0V3PA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  F   UNL     1       1.428  -4.123   0.000  1.00  0.00           F  
HETATM    2  C   UNL     1      -2.143  -2.062   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.143  -2.887   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.429  -3.300   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.715  -2.887   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.715  -2.062   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.429  -1.650   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.429  -0.825   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.143  -0.412   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.143   0.412   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.715  -0.412   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.000  -0.825   0.000  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.715   0.412   0.000  1.00  0.00           O  
HETATM   14  N   UNL     1       0.715  -0.412   0.000  1.00  0.00           N  
HETATM   15  S   UNL     1       1.429  -0.825   0.000  1.00  0.00           S  
HETATM   16  C   UNL     1      -1.429  -4.125   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.143  -4.537   0.000  1.00  0.00           O  
HETATM   18  O   UNL     1      -0.715  -4.537   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.429   0.825   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.429   1.650   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.143   2.062   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.858   1.650   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.858   0.825   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.143   2.887   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.429   3.300   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.429   4.125   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.143   4.537   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.858   4.125   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.858   3.300   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.429  -1.650   0.000  1.00  0.00           C  
HETATM   31  O   UNL     1       2.012  -0.242   0.000  1.00  0.00           O  
HETATM   32  O   UNL     1       2.226  -1.038   0.000  1.00  0.00           O  
HETATM   33  C   UNL     1       0.714  -2.062   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       0.714  -2.888   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       1.429  -3.300   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       2.143  -2.888   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       2.143  -2.062   0.000  1.00  0.00           C  
HETATM   38  F   UNL     1      -0.000  -1.650   0.000  1.00  0.00           F  
HETATM   39  F   UNL     1      -0.000  -3.300   0.000  1.00  0.00           F  
HETATM   40  F   UNL     1       2.858  -1.650   0.000  1.00  0.00           F  
HETATM   41  F   UNL     1       2.858  -3.300   0.000  1.00  0.00           F  
HETATM   42  F   UNL     1      -2.858  -3.300   0.000  1.00  0.00           F  
HETATM   43  C   UNL     1       0.713   0.413   0.000  1.00  0.00           C  
CONECT    1   35                                                      
CONECT    2    3    7                                                 
CONECT    3    2    4   42                                            
CONECT    4    3    5   16                                            
CONECT    5    4    6                                                 
CONECT    6    5    7                                                 
CONECT    7    6    2    8                                            
CONECT    8    7    9   11                                            
CONECT    9    8   10                                                 
CONECT   10    9   19   23                                            
CONECT   11    8   12   13                                            
CONECT   12   11   14                                                 
CONECT   13   11                                                      
CONECT   14   12   15   43                                            
CONECT   15   14   30   31   32                                       
CONECT   16    4   17   18                                            
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19   10   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   10                                                 
CONECT   24   21   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   15   33   37                                            
CONECT   31   15                                                      
CONECT   32   15                                                      
CONECT   33   30   34   38                                            
CONECT   34   33   35   39                                            
CONECT   35   34   36    1                                            
CONECT   36   35   37   41                                            
CONECT   37   36   30   40                                            
CONECT   38   33                                                      
CONECT   39   34                                                      
CONECT   40   37                                                      
CONECT   41   36                                                      
CONECT   42    3                                                      
CONECT   43   14                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
M  END

$$$$
D0V3PI
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -1.786  -0.151   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.072  -0.564   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.357  -0.151   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1       0.357  -0.564   0.000  1.00  0.00           N  
HETATM    5  C   UNL     1       1.072  -0.151   0.000  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.357   0.674   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1       1.786  -0.564   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.501  -0.151   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       2.501   0.674   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.786   1.087   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       1.072   0.674   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       3.215  -0.564   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       3.930  -0.151   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.930   0.674   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1       3.215   1.087   0.000  1.00  0.00           O  
HETATM   16  O   UNL     1       4.644  -0.564   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.786   0.674   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.501   1.087   0.000  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.215   0.674   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.215  -0.151   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.501  -0.564   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.930  -0.564   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.930  -1.389   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.215  -1.801   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.501  -1.389   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.913   1.801   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.917   1.670   0.000  1.00  0.00           C  
HETATM   28  H   UNL     1      -4.644  -0.151   0.000  1.00  0.00           H  
HETATM   29  F   UNL     1      -4.644  -1.801   0.000  1.00  0.00           F  
HETATM   30  H   UNL     1       3.215  -1.389   0.000  1.00  0.00           H  
CONECT    1    2   17   21                                            
CONECT    2    1    3                                                 
CONECT    3    2    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4    7   11                                            
CONECT    6    3                                                      
CONECT    7    5    8                                                 
CONECT    8    7    9   12                                            
CONECT    9    8   10   15                                            
CONECT   10    9   11                                                 
CONECT   11   10    5                                                 
CONECT   12    8   13   30                                            
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14    9                                                 
CONECT   16   13                                                      
CONECT   17    1   18                                                 
CONECT   18   17   19   26   27                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   22                                            
CONECT   21   20    1   25                                            
CONECT   22   20   23   28                                            
CONECT   23   22   24   29                                            
CONECT   24   23   25                                                 
CONECT   25   24   21                                                 
CONECT   26   18                                                      
CONECT   27   18                                                      
CONECT   28   22                                                      
CONECT   29   23                                                      
CONECT   30   12                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
M  END

$$$$
D0V3SA
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.421  -1.286   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.635  -1.032   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.635  -0.207   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.418   0.049   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.904  -0.618   0.000  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.922  -1.446   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.206  -1.032   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.206  -0.207   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.922   0.206   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.922   1.031   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.208   1.444   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.208   2.269   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.922   2.681   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.637   2.269   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.637   1.444   0.000  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.492  -1.445   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       0.223  -1.032   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.937  -1.444   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       0.938  -2.269   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.653  -2.681   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.367  -2.269   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.367  -1.444   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       1.653  -1.032   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       3.079  -2.681   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1       3.904  -2.681   0.000  1.00  0.00           N  
CONECT    1    2    5                                                 
CONECT    2    1    3    6                                            
CONECT    3    2    4    9                                            
CONECT    4    3    5                                                 
CONECT    5    4    1                                                 
CONECT    6    2    7                                                 
CONECT    7    6    8   16                                            
CONECT    8    7    9                                                 
CONECT    9    8    3   10                                            
CONECT   10    9   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16    7   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   21   25                                                 
CONECT   25   24                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
M  END

$$$$
D0V4FE
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.896   2.219   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.896   1.394   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.181   0.982   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.467   1.394   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.467   2.219   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.181   2.632   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.682   1.139   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.197   1.807   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.682   2.474   0.000  1.00  0.00           N  
HETATM   10  N   UNL     1      -0.372   1.807   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       0.041   1.092   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       0.866   1.092   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.278   1.807   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       0.866   2.521   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.041   2.521   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       2.103   1.807   0.000  1.00  0.00           C  
HETATM   17  O   UNL     1       2.515   2.521   0.000  1.00  0.00           O  
HETATM   18  N   UNL     1       2.515   1.092   0.000  1.00  0.00           N  
HETATM   19  C   UNL     1       3.341   1.092   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.825   0.425   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.610   0.680   0.000  1.00  0.00           C  
HETATM   22  O   UNL     1       4.610   1.505   0.000  1.00  0.00           O  
HETATM   23  C   UNL     1       3.825   1.760   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.468   0.342   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.052  -0.241   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.838  -1.038   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.041  -1.251   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.458  -0.668   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.672   0.129   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.422  -1.621   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.208  -2.418   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.411  -2.632   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.828  -2.048   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.610   2.632   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.610   0.982   0.000  1.00  0.00           C  
CONECT    1    2    6   34                                            
CONECT    2    1    3   35                                            
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6    9                                            
CONECT    6    5    1                                                 
CONECT    7    4    8   24                                            
CONECT    8    7    9   10                                            
CONECT    9    8    5                                                 
CONECT   10    8   11   15                                            
CONECT   11   10   12                                                 
CONECT   12   11   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23                                                 
CONECT   23   22   19                                                 
CONECT   24    7   25   29                                            
CONECT   25   24   26                                                 
CONECT   26   25   27   30                                            
CONECT   27   26   28   33                                            
CONECT   28   27   29                                                 
CONECT   29   28   24                                                 
CONECT   30   26   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   27                                                 
CONECT   34    1                                                      
CONECT   35    2                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0V4KJ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.876  -0.402   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.876  -1.227   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.161  -1.640   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.447  -1.227   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.447  -0.402   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.161   0.010   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.732  -1.640   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.149  -1.056   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.502  -0.843   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.363  -1.255   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.935  -1.426   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.347  -1.545   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.237  -2.129   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       0.105  -0.106   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       0.901   0.108   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.115   0.905   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.912   1.118   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       2.495   0.535   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.292   0.748   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.506   1.545   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.922   2.129   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.125   1.915   0.000  1.00  0.00           C  
HETATM   23 BR   UNL     1       3.876   0.165   0.000  1.00  0.00          Br  
HETATM   24  O   UNL     1       0.532   1.488   0.000  1.00  0.00           O  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4                                                 
CONECT    4    3    5    7                                            
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    4    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   14                                            
CONECT   10    9   13                                                 
CONECT   11    7   12                                                 
CONECT   12   11   13   14                                            
CONECT   13   12   10                                                 
CONECT   14   12    9   15                                            
CONECT   15   14   16                                                 
CONECT   16   15   17   24                                            
CONECT   17   16   18   22                                            
CONECT   18   17   19                                                 
CONECT   19   18   20   23                                            
CONECT   20   19   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   17                                                 
CONECT   23   19                                                      
CONECT   24   16                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
M  END

$$$$
D0V4YX
  -OEChem-09301911222D

 55 57  0     1  0  0  0  0  0999 V2000
    2.8660    1.6830    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -3.6217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -1.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981    0.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3600   -3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2260   -4.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2260   -3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3600   -3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600   -2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600   -2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3170    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2764   -2.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1830    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641   -1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    0.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1995   -4.2819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0139   -4.7656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8366   -4.2907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8366   -3.0753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0139   -2.6004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7774   -3.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4676   -4.2936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4426   -2.6049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7523   -2.2064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4690   -1.4229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -0.9246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -0.2344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    1.0754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    1.7656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4781   -1.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -3.6270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766    2.5753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781    3.2656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4081    1.0860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    3.2907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    2.6004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    4.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    4.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 25  1  0  0  0  0
  2 13  1  0  0  0  0
  2 20  1  0  0  0  0
 14  3  1  6  0  0  0
  3 46  1  0  0  0  0
  4 22  1  0  0  0  0
  4 50  1  0  0  0  0
  5 22  2  0  0  0  0
 18  6  1  1  0  0  0
  6 44  1  0  0  0  0
  6 45  1  0  0  0  0
  7 19  2  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 15  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 19  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 21  1  0  0  0  0
 18 40  1  0  0  0  0
 20 23  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 23 24  2  0  0  0  0
 23 43  1  0  0  0  0
 24 47  1  0  0  0  0
 25 26  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 27  1  0  0  0  0
 26 51  1  0  0  0  0
 26 52  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
 27 55  1  0  0  0  0
M  END

$$$$
D0V5AG
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.295   0.619   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.295  -0.206   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.580  -0.619   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.866  -0.206   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.866   0.619   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.580   1.031   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -4.079   0.874   0.000  1.00  0.00           N  
HETATM    8  N   UNL     1      -4.564   0.206   0.000  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.079  -0.461   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.334  -1.246   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -2.580  -1.444   0.000  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.866  -1.856   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.866  -2.681   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.151  -3.094   0.000  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.437  -2.681   0.000  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.437  -1.856   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.151  -1.444   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.151   1.031   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.437   0.619   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       0.278   1.031   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.278   1.856   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.437   2.269   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.151   1.856   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.992   2.269   0.000  1.00  0.00           C  
HETATM   25  O   UNL     1       0.992   3.094   0.000  1.00  0.00           O  
HETATM   26  N   UNL     1       1.706   1.856   0.000  1.00  0.00           N  
HETATM   27  N   UNL     1       0.992   0.619   0.000  1.00  0.00           N  
HETATM   28  C   UNL     1       0.992  -0.206   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       1.706  -0.619   0.000  1.00  0.00           C  
HETATM   30  N   UNL     1       2.421  -0.206   0.000  1.00  0.00           N  
HETATM   31  C   UNL     1       2.421   0.619   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.706   1.031   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       3.135  -0.619   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       3.135  -1.444   0.000  1.00  0.00           C  
HETATM   35  C   UNL     1       3.850  -1.856   0.000  1.00  0.00           C  
HETATM   36  C   UNL     1       4.564  -1.444   0.000  1.00  0.00           C  
HETATM   37  C   UNL     1       4.564  -0.619   0.000  1.00  0.00           C  
HETATM   38  C   UNL     1       3.850  -0.206   0.000  1.00  0.00           C  
HETATM   39  C   UNL     1       2.421   2.269   0.000  1.00  0.00           C  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   11                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   18                                            
CONECT    6    5    1                                                 
CONECT    7    1    8                                                 
CONECT    8    7    9                                                 
CONECT    9    8    2   10                                            
CONECT   10    9                                                      
CONECT   11    3   12                                                 
CONECT   12   11   13   17                                            
CONECT   13   12   14                                                 
CONECT   14   13   15                                                 
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   12                                                 
CONECT   18    5   19   23                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   27                                            
CONECT   21   20   22   24                                            
CONECT   22   21   23                                                 
CONECT   23   22   18                                                 
CONECT   24   21   25   26                                            
CONECT   25   24                                                      
CONECT   26   24   39                                                 
CONECT   27   20   28   32                                            
CONECT   28   27   29                                                 
CONECT   29   28   30                                                 
CONECT   30   29   31   33                                            
CONECT   31   30   32                                                 
CONECT   32   31   27                                                 
CONECT   33   30   34   38                                            
CONECT   34   33   35                                                 
CONECT   35   34   36                                                 
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   33                                                 
CONECT   39   26                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
M  END

$$$$
D0V5BV
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.476   1.302   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.476   0.476   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.762   0.064   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.047   0.476   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.047   1.302   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.762   1.714   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.333   1.714   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.382   1.302   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.333   2.539   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.191   0.064   0.000  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.905   0.476   0.000  1.00  0.00           O  
HETATM   12  N   UNL     1      -3.191  -0.761   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.905  -1.173   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.730  -1.173   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.318  -1.888   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       0.382   0.476   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       1.096   0.064   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       1.811   0.476   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       1.811   1.302   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.096   1.714   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1       2.595   0.222   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       3.080   0.889   0.000  1.00  0.00           C  
HETATM   23  N   UNL     1       2.595   1.556   0.000  1.00  0.00           N  
HETATM   24  C   UNL     1       3.905   0.889   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       4.318   1.603   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       4.318   0.174   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       4.730   0.889   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       2.809  -0.575   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       2.225  -1.159   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       1.429  -0.945   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       0.845  -1.529   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       1.059  -2.325   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       1.856  -2.539   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1       2.439  -1.956   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   10                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8    9                                            
CONECT    8    7   16   20                                            
CONECT    9    7                                                      
CONECT   10    2   11   12                                            
CONECT   11   10                                                      
CONECT   12   10   13                                                 
CONECT   13   12   14   15                                            
CONECT   14   13   15                                                 
CONECT   15   14   13                                                 
CONECT   16    8   17                                                 
CONECT   17   16   18                                                 
CONECT   18   17   19   21                                            
CONECT   19   18   20   23                                            
CONECT   20   19    8                                                 
CONECT   21   18   22   28                                            
CONECT   22   21   23   24                                            
CONECT   23   22   19                                                 
CONECT   24   22   25   26   27                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
CONECT   28   21   29                                                 
CONECT   29   28   30   34                                            
CONECT   30   29   31                                                 
CONECT   31   30   32                                                 
CONECT   32   31   33                                                 
CONECT   33   32   34                                                 
CONECT   34   33   29                                                 
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
M  END

$$$$
D0V5GR
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -3.891  -0.303   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.066  -0.303   0.000  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.653   0.411   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.066   1.126   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.891   1.126   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.303   0.411   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.828   0.411   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.343  -0.256   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.558   0.000   0.000  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.558   0.825   0.000  1.00  0.00           N  
HETATM   11  N   UNL     1      -1.344   1.079   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.156  -0.412   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       0.871   0.000   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       0.871   0.825   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       0.156   1.238   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.585  -0.412   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       2.300   0.000   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1       1.585  -1.238   0.000  1.00  0.00           O  
HETATM   19  C   UNL     1       2.712  -0.715   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       3.510  -0.505   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       4.303  -0.715   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       3.891   0.000   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       3.093  -0.209   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       2.300   0.825   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       3.891   0.825   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       3.096   1.038   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       3.509   0.324   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1                                                 
CONECT    7    3    8   11                                            
CONECT    8    7    9                                                 
CONECT    9    8   10   12                                            
CONECT   10    9   11   15                                            
CONECT   11   10    7                                                 
CONECT   12    9   13                                                 
CONECT   13   12   14   16                                            
CONECT   14   13   15                                                 
CONECT   15   14   10                                                 
CONECT   16   13   17   18                                            
CONECT   17   16   19   23   24                                       
CONECT   18   16                                                      
CONECT   19   17   20                                                 
CONECT   20   19   21   27                                            
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   17                                                 
CONECT   24   17   26                                                 
CONECT   25   22   26                                                 
CONECT   26   24   25   27                                            
CONECT   27   26   20                                                 
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0V5IQ
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -4.227   0.318   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.227  -0.507   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.513  -0.920   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.798  -0.507   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.798   0.318   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.513   0.730   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.084   0.730   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.259   0.730   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.004   1.515   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.671   2.000   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.339   1.515   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.219   1.770   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.495   1.357   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.774   0.063   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.774  -0.762   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.059  -1.175   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       0.655  -0.762   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       0.655   0.063   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.059   0.475   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.370  -1.175   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1       2.084  -0.762   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1       2.799  -1.175   0.000  1.00  0.00           C  
HETATM   23  O   UNL     1       2.799  -2.000   0.000  1.00  0.00           O  
HETATM   24  N   UNL     1       3.513  -0.762   0.000  1.00  0.00           N  
HETATM   25  O   UNL     1       4.228  -1.175   0.000  1.00  0.00           O  
HETATM   26  O   UNL     1      -4.228  -0.507   0.000  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.513  -0.920   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3   26                                            
CONECT    3    2    4                                                 
CONECT    4    3    5                                                 
CONECT    5    4    6    7                                            
CONECT    6    5    1                                                 
CONECT    7    5    8   11                                            
CONECT    8    7    9   14                                            
CONECT    9    8   10   12                                            
CONECT   10    9   11                                                 
CONECT   11   10    7                                                 
CONECT   12    9   13                                                 
CONECT   13   12                                                      
CONECT   14    8   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   20                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   24                                            
CONECT   23   22                                                      
CONECT   24   22   25                                                 
CONECT   25   24                                                      
CONECT   26    2   27                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
M  END

$$$$
D0V5JW
  -OEChem-09301911262D

 57 61  0     1  0  0  0  0  0999 V2000
    3.9010   -3.1544    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6399   -3.7943    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5331    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6357    3.2665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2612   -1.8932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838   -2.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838    0.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4278    2.2318    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.7857    0.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6518    0.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8395    2.0297    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2559    1.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2498   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5178   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2498   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5178   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5178    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5178    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838   -3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6518    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4358    3.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7857    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5337    3.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2880    1.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8395    0.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5289   -0.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5504   -0.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1967   -1.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2397   -1.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8860   -2.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9075   -2.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9505   -2.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8469   -0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8604   -1.3827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4619   -0.6924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3057   -0.6924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9072   -1.3827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4619   -2.8576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8604   -2.1673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9072   -2.1673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3057   -2.8576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9208    0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7638   -3.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838   -4.3950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0038   -3.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0458    3.1626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6494    3.8555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9311    4.2702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1328    4.2672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9718    1.1885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8213    1.4057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6042    2.2552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1363   -0.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8034   -1.1467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3001   -2.6866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7149   -3.0206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 33  1  0  0  0  0
  2 33  1  0  0  0  0
  3 33  1  0  0  0  0
  4 21  1  0  0  0  0
  4 24  1  0  0  0  0
  5 30  1  0  0  0  0
  5 33  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 20  1  0  0  0  0
  7 13  1  0  0  0  0
  7 18  1  0  0  0  0
  7 43  1  0  0  0  0
  8 19  1  0  0  0  0
  8 22  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
  9 26  1  0  0  0  0
 10 18  2  0  0  0  0
 11 12  1  0  0  0  0
 11 23  2  0  0  0  0
 12 26  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 34  1  0  0  0  0
 14 16  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 17  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 19  1  0  0  0  0
 19 21  2  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 54  1  0  0  0  0
 29 31  2  0  0  0  0
 29 55  1  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
 31 56  1  0  0  0  0
 32 57  1  0  0  0  0
M  END

$$$$
D0V5KY
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -1.211  -0.730   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.852  -0.211   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.414  -0.516   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       0.169  -1.100   0.000  1.00  0.00           C  
HETATM    5  N   UNL     1       0.966  -0.886   0.000  1.00  0.00           N  
HETATM    6  O   UNL     1      -0.201   0.281   0.000  1.00  0.00           O  
HETATM    7  C   UNL     1       1.607  -1.405   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.299  -0.956   0.000  1.00  0.00           C  
HETATM    9  N   UNL     1       2.086  -0.159   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       1.262  -0.116   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       2.605   0.482   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       3.420   0.353   0.000  1.00  0.00           N  
HETATM   13  C   UNL     1       3.939   0.994   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       3.643   1.764   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.828   1.893   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       2.309   1.252   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       0.812   0.576   0.000  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.723   0.604   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.364   1.123   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.134   0.828   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.264   0.013   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.622  -0.506   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.945  -1.897   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       1.039  -2.716   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1       1.796  -3.044   0.000  1.00  0.00           C  
HETATM   26  C   UNL     1       2.459  -2.553   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1       2.364  -1.733   0.000  1.00  0.00           C  
HETATM   28  C   UNL     1       4.162   2.406   0.000  1.00  0.00           C  
HETATM   29  F   UNL     1       4.801   1.888   0.000  1.00  0.00           F  
HETATM   30  F   UNL     1       4.680   3.044   0.000  1.00  0.00           F  
HETATM   31  F   UNL     1       3.523   2.923   0.000  1.00  0.00           F  
HETATM   32  C   UNL     1      -4.034  -0.283   0.000  1.00  0.00           C  
HETATM   33  F   UNL     1      -4.328   0.485   0.000  1.00  0.00           F  
HETATM   34  F   UNL     1      -4.801  -0.577   0.000  1.00  0.00           F  
HETATM   35  F   UNL     1      -3.739  -1.050   0.000  1.00  0.00           F  
CONECT    1    2    3                                                 
CONECT    2    1   18   22                                            
CONECT    3    1    4    6                                            
CONECT    4    3    5                                                 
CONECT    5    4    7   10                                            
CONECT    6    3                                                      
CONECT    7    5    8   23   27                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   11                                            
CONECT   10    9    5   17                                            
CONECT   11    9   12   16                                            
CONECT   12   11   13                                                 
CONECT   13   12   14                                                 
CONECT   14   28   13   15                                            
CONECT   15   14   16                                                 
CONECT   16   15   11                                                 
CONECT   17   10                                                      
CONECT   18    2   19                                                 
CONECT   19   18   20                                                 
CONECT   20   19   21                                                 
CONECT   21   32   20   22                                            
CONECT   22   21    2                                                 
CONECT   23    7   24                                                 
CONECT   24   23   25                                                 
CONECT   25   24   26                                                 
CONECT   26   25   27                                                 
CONECT   27   26    7                                                 
CONECT   28   29   30   31   14                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
CONECT   32   33   34   35   21                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

$$$$
D0V5NK
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  N   UNL     1      -0.635  -0.511   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.635  -1.337   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       0.080  -1.749   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.794  -1.337   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.794  -0.511   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       0.080  -0.099   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.579  -1.591   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       2.064  -0.924   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.579  -0.257   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.080   